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/UTR4_1-abfa5b74/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/UTR4_1-abfa5b74/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/UTR4_1-abfa5b74/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/UTR4_1-abfa5b74/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/UTR4_1-abfa5b74/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/UTR4_1-abfa5b74/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/UTR4_1-abfa5b74/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/UTR4_1-abfa5b74/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/UTR4_1-abfa5b74/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/UTR4_1-abfa5b74/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/UTR4_1-abfa5b74/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/UTR4_1-abfa5b74/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/UTR4_1-abfa5b74/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/UTR4_1-abfa5b74/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/UTR4_1-abfa5b74/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/UTR4_1-abfa5b74/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/UTR4_1-abfa5b74/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/UTR4_1-abfa5b74/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/UTR4_1-abfa5b74/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/UTR4_1-abfa5b74/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: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -480.467543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.467543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.467543 (E_RNA) where: Base-Base interactions energy: -220.856 where: short stacking energy: -140.851 Base-Backbone interact. energy: 5.265 local terms energy: -264.876829 where: bonds (distance) C4'-P energy: -62.461 bonds (distance) P-C4' energy: -85.324 flat angles C4'-P-C4' energy: -66.891 flat angles P-C4'-P energy: -62.117 tors. eta vs tors. theta energy: 11.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -423.171784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.171784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.171784 (E_RNA) where: Base-Base interactions energy: -178.292 where: short stacking energy: -148.662 Base-Backbone interact. energy: -1.248 local terms energy: -243.631225 where: bonds (distance) C4'-P energy: -66.376 bonds (distance) P-C4' energy: -92.612 flat angles C4'-P-C4' energy: -64.592 flat angles P-C4'-P energy: -32.035 tors. eta vs tors. theta energy: 11.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 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: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -817.624156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.624156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.624156 (E_RNA) where: Base-Base interactions energy: -396.253 where: short stacking energy: -295.810 Base-Backbone interact. energy: 0.383 local terms energy: -421.754463 where: bonds (distance) C4'-P energy: -84.307 bonds (distance) P-C4' energy: -111.297 flat angles C4'-P-C4' energy: -95.264 flat angles P-C4'-P energy: -63.146 tors. eta vs tors. theta energy: -67.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -774.125367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.125367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.125367 (E_RNA) where: Base-Base interactions energy: -402.037 where: short stacking energy: -280.624 Base-Backbone interact. energy: -0.640 local terms energy: -371.448561 where: bonds (distance) C4'-P energy: -89.715 bonds (distance) P-C4' energy: -82.394 flat angles C4'-P-C4' energy: -85.795 flat angles P-C4'-P energy: -60.060 tors. eta vs tors. theta energy: -53.485 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: 5 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -719.115318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.115318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.115318 (E_RNA) where: Base-Base interactions energy: -329.775 where: short stacking energy: -242.198 Base-Backbone interact. energy: -0.983 local terms energy: -388.357389 where: bonds (distance) C4'-P energy: -100.412 bonds (distance) P-C4' energy: -88.094 flat angles C4'-P-C4' energy: -91.783 flat angles P-C4'-P energy: -57.693 tors. eta vs tors. theta energy: -50.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -600.091449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.091449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.091449 (E_RNA) where: Base-Base interactions energy: -234.819 where: short stacking energy: -212.626 Base-Backbone interact. energy: -1.027 local terms energy: -364.244845 where: bonds (distance) C4'-P energy: -88.046 bonds (distance) P-C4' energy: -83.347 flat angles C4'-P-C4' energy: -92.206 flat angles P-C4'-P energy: -66.186 tors. eta vs tors. theta energy: -34.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 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: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -533.758576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.758576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.758576 (E_RNA) where: Base-Base interactions energy: -251.942 where: short stacking energy: -177.527 Base-Backbone interact. energy: 1.168 local terms energy: -282.985046 where: bonds (distance) C4'-P energy: -77.200 bonds (distance) P-C4' energy: -83.675 flat angles C4'-P-C4' energy: -64.199 flat angles P-C4'-P energy: -42.991 tors. eta vs tors. theta energy: -14.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -471.341428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.341428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.341428 (E_RNA) where: Base-Base interactions energy: -201.670 where: short stacking energy: -154.374 Base-Backbone interact. energy: -1.418 local terms energy: -268.252734 where: bonds (distance) C4'-P energy: -80.325 bonds (distance) P-C4' energy: -78.394 flat angles C4'-P-C4' energy: -62.915 flat angles P-C4'-P energy: -54.271 tors. eta vs tors. theta energy: 7.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -374.376536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.376536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.376536 (E_RNA) where: Base-Base interactions energy: -109.391 where: short stacking energy: -107.691 Base-Backbone interact. energy: 9.590 local terms energy: -274.575656 where: bonds (distance) C4'-P energy: -74.715 bonds (distance) P-C4' energy: -91.691 flat angles C4'-P-C4' energy: -69.095 flat angles P-C4'-P energy: -44.893 tors. eta vs tors. theta energy: 5.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -848.218918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.218918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.218918 (E_RNA) where: Base-Base interactions energy: -448.943 where: short stacking energy: -294.154 Base-Backbone interact. energy: -3.247 local terms energy: -396.029067 where: bonds (distance) C4'-P energy: -96.645 bonds (distance) P-C4' energy: -97.778 flat angles C4'-P-C4' energy: -89.671 flat angles P-C4'-P energy: -46.916 tors. eta vs tors. theta energy: -65.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -802.958192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.958192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.958192 (E_RNA) where: Base-Base interactions energy: -369.817 where: short stacking energy: -282.246 Base-Backbone interact. energy: -1.655 local terms energy: -431.485263 where: bonds (distance) C4'-P energy: -93.928 bonds (distance) P-C4' energy: -109.019 flat angles C4'-P-C4' energy: -102.388 flat angles P-C4'-P energy: -66.090 tors. eta vs tors. theta energy: -60.060 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: 4, replica: 5 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -724.519019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.519019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.519019 (E_RNA) where: Base-Base interactions energy: -342.951 where: short stacking energy: -244.668 Base-Backbone interact. energy: 0.417 local terms energy: -381.984690 where: bonds (distance) C4'-P energy: -73.977 bonds (distance) P-C4' energy: -108.688 flat angles C4'-P-C4' energy: -88.345 flat angles P-C4'-P energy: -74.180 tors. eta vs tors. theta energy: -36.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -597.340824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.340824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.340824 (E_RNA) where: Base-Base interactions energy: -255.914 where: short stacking energy: -221.280 Base-Backbone interact. energy: -1.232 local terms energy: -340.195034 where: bonds (distance) C4'-P energy: -85.537 bonds (distance) P-C4' energy: -93.395 flat angles C4'-P-C4' energy: -78.328 flat angles P-C4'-P energy: -53.612 tors. eta vs tors. theta energy: -29.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 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: 10 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -595.928655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.928655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.928655 (E_RNA) where: Base-Base interactions energy: -289.598 where: short stacking energy: -201.468 Base-Backbone interact. energy: 3.053 local terms energy: -309.383523 where: bonds (distance) C4'-P energy: -79.123 bonds (distance) P-C4' energy: -79.710 flat angles C4'-P-C4' energy: -84.622 flat angles P-C4'-P energy: -46.680 tors. eta vs tors. theta energy: -19.249 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: 8, replica: 7 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -520.889281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.889281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.889281 (E_RNA) where: Base-Base interactions energy: -217.857 where: short stacking energy: -153.954 Base-Backbone interact. energy: -1.924 local terms energy: -301.107493 where: bonds (distance) C4'-P energy: -90.197 bonds (distance) P-C4' energy: -80.712 flat angles C4'-P-C4' energy: -89.007 flat angles P-C4'-P energy: -30.650 tors. eta vs tors. theta energy: -10.541 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: 9 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -404.529439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.529439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.529439 (E_RNA) where: Base-Base interactions energy: -140.763 where: short stacking energy: -114.056 Base-Backbone interact. energy: 0.747 local terms energy: -264.513782 where: bonds (distance) C4'-P energy: -79.854 bonds (distance) P-C4' energy: -89.098 flat angles C4'-P-C4' energy: -65.732 flat angles P-C4'-P energy: -38.290 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: 8 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -393.497420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.497420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.497420 (E_RNA) where: Base-Base interactions energy: -134.526 where: short stacking energy: -85.562 Base-Backbone interact. energy: 1.354 local terms energy: -260.325339 where: bonds (distance) C4'-P energy: -82.902 bonds (distance) P-C4' energy: -99.517 flat angles C4'-P-C4' energy: -58.547 flat angles P-C4'-P energy: -48.684 tors. eta vs tors. theta energy: 29.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 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: -883.717289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.717289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.717289 (E_RNA) where: Base-Base interactions energy: -465.447 where: short stacking energy: -318.976 Base-Backbone interact. energy: -0.477 local terms energy: -417.793103 where: bonds (distance) C4'-P energy: -90.365 bonds (distance) P-C4' energy: -102.263 flat angles C4'-P-C4' energy: -92.639 flat angles P-C4'-P energy: -67.190 tors. eta vs tors. theta energy: -65.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -816.713089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.713089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.713089 (E_RNA) where: Base-Base interactions energy: -407.484 where: short stacking energy: -308.706 Base-Backbone interact. energy: 0.541 local terms energy: -409.770409 where: bonds (distance) C4'-P energy: -100.587 bonds (distance) P-C4' energy: -94.024 flat angles C4'-P-C4' energy: -103.675 flat angles P-C4'-P energy: -51.707 tors. eta vs tors. theta energy: -59.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -731.660837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.660837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.660837 (E_RNA) where: Base-Base interactions energy: -358.968 where: short stacking energy: -235.685 Base-Backbone interact. energy: 1.081 local terms energy: -373.774113 where: bonds (distance) C4'-P energy: -106.501 bonds (distance) P-C4' energy: -90.834 flat angles C4'-P-C4' energy: -93.977 flat angles P-C4'-P energy: -50.972 tors. eta vs tors. theta energy: -31.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -551.707532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.707532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.707532 (E_RNA) where: Base-Base interactions energy: -204.053 where: short stacking energy: -187.017 Base-Backbone interact. energy: 2.407 local terms energy: -350.061640 where: bonds (distance) C4'-P energy: -79.203 bonds (distance) P-C4' energy: -97.749 flat angles C4'-P-C4' energy: -88.670 flat angles P-C4'-P energy: -65.575 tors. eta vs tors. theta energy: -18.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 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: 10 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -608.895843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.895843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.895843 (E_RNA) where: Base-Base interactions energy: -298.138 where: short stacking energy: -173.629 Base-Backbone interact. energy: 1.570 local terms energy: -312.327280 where: bonds (distance) C4'-P energy: -89.262 bonds (distance) P-C4' energy: -90.628 flat angles C4'-P-C4' energy: -61.787 flat angles P-C4'-P energy: -46.464 tors. eta vs tors. theta energy: -24.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -471.873432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.873432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.873432 (E_RNA) where: Base-Base interactions energy: -161.286 where: short stacking energy: -145.704 Base-Backbone interact. energy: 1.116 local terms energy: -311.703357 where: bonds (distance) C4'-P energy: -95.234 bonds (distance) P-C4' energy: -86.212 flat angles C4'-P-C4' energy: -85.153 flat angles P-C4'-P energy: -46.772 tors. eta vs tors. theta energy: 1.669 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: 9, replica: 9 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -446.471926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.471926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.471926 (E_RNA) where: Base-Base interactions energy: -191.032 where: short stacking energy: -132.807 Base-Backbone interact. energy: -1.213 local terms energy: -254.226921 where: bonds (distance) C4'-P energy: -70.320 bonds (distance) P-C4' energy: -76.182 flat angles C4'-P-C4' energy: -73.902 flat angles P-C4'-P energy: -40.827 tors. eta vs tors. theta energy: 7.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -382.889649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.889649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.889649 (E_RNA) where: Base-Base interactions energy: -144.830 where: short stacking energy: -130.845 Base-Backbone interact. energy: -2.327 local terms energy: -235.733168 where: bonds (distance) C4'-P energy: -65.889 bonds (distance) P-C4' energy: -64.851 flat angles C4'-P-C4' energy: -60.775 flat angles P-C4'-P energy: -41.125 tors. eta vs tors. theta energy: -3.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: -922.320111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.320111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.320111 (E_RNA) where: Base-Base interactions energy: -509.345 where: short stacking energy: -305.757 Base-Backbone interact. energy: -1.732 local terms energy: -411.243321 where: bonds (distance) C4'-P energy: -96.980 bonds (distance) P-C4' energy: -97.539 flat angles C4'-P-C4' energy: -91.680 flat angles P-C4'-P energy: -58.295 tors. eta vs tors. theta energy: -66.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -909.576363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.576363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.576363 (E_RNA) where: Base-Base interactions energy: -516.855 where: short stacking energy: -305.003 Base-Backbone interact. energy: -2.717 local terms energy: -390.004497 where: bonds (distance) C4'-P energy: -93.046 bonds (distance) P-C4' energy: -85.253 flat angles C4'-P-C4' energy: -77.709 flat angles P-C4'-P energy: -74.580 tors. eta vs tors. theta energy: -59.416 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: 4, replica: 5 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -861.222190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.222190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.222190 (E_RNA) where: Base-Base interactions energy: -489.869 where: short stacking energy: -292.814 Base-Backbone interact. energy: -1.334 local terms energy: -370.019809 where: bonds (distance) C4'-P energy: -91.285 bonds (distance) P-C4' energy: -85.310 flat angles C4'-P-C4' energy: -83.227 flat angles P-C4'-P energy: -48.299 tors. eta vs tors. theta energy: -61.898 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: 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: -513.377957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.377957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.377957 (E_RNA) where: Base-Base interactions energy: -212.188 where: short stacking energy: -174.668 Base-Backbone interact. energy: 0.625 local terms energy: -301.815131 where: bonds (distance) C4'-P energy: -80.087 bonds (distance) P-C4' energy: -90.042 flat angles C4'-P-C4' energy: -75.339 flat angles P-C4'-P energy: -47.110 tors. eta vs tors. theta energy: -9.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -700.242147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.242147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.242147 (E_RNA) where: Base-Base interactions energy: -395.139 where: short stacking energy: -194.757 Base-Backbone interact. energy: 0.531 local terms energy: -305.634415 where: bonds (distance) C4'-P energy: -84.071 bonds (distance) P-C4' energy: -86.324 flat angles C4'-P-C4' energy: -65.195 flat angles P-C4'-P energy: -42.555 tors. eta vs tors. theta energy: -27.488 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: 7 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -438.380966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.380966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.380966 (E_RNA) where: Base-Base interactions energy: -159.672 where: short stacking energy: -144.921 Base-Backbone interact. energy: 0.206 local terms energy: -278.914796 where: bonds (distance) C4'-P energy: -74.600 bonds (distance) P-C4' energy: -86.462 flat angles C4'-P-C4' energy: -72.020 flat angles P-C4'-P energy: -48.965 tors. eta vs tors. theta energy: 3.133 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: 8 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -433.683036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.683036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.683036 (E_RNA) where: Base-Base interactions energy: -179.258 where: short stacking energy: -135.686 Base-Backbone interact. energy: -0.996 local terms energy: -253.429125 where: bonds (distance) C4'-P energy: -61.470 bonds (distance) P-C4' energy: -88.246 flat angles C4'-P-C4' energy: -61.871 flat angles P-C4'-P energy: -49.592 tors. eta vs tors. theta energy: 7.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -435.460412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.460412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.460412 (E_RNA) where: Base-Base interactions energy: -181.516 where: short stacking energy: -128.019 Base-Backbone interact. energy: 5.420 local terms energy: -259.364712 where: bonds (distance) C4'-P energy: -88.586 bonds (distance) P-C4' energy: -77.264 flat angles C4'-P-C4' energy: -62.915 flat angles P-C4'-P energy: -40.269 tors. eta vs tors. theta energy: 9.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 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: 2 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -957.593733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.593733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.593733 (E_RNA) where: Base-Base interactions energy: -521.229 where: short stacking energy: -343.629 Base-Backbone interact. energy: 1.243 local terms energy: -437.608176 where: bonds (distance) C4'-P energy: -95.779 bonds (distance) P-C4' energy: -97.944 flat angles C4'-P-C4' energy: -103.921 flat angles P-C4'-P energy: -66.900 tors. eta vs tors. theta energy: -73.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -894.864551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.864551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.864551 (E_RNA) where: Base-Base interactions energy: -486.892 where: short stacking energy: -281.169 Base-Backbone interact. energy: -1.199 local terms energy: -406.773967 where: bonds (distance) C4'-P energy: -86.397 bonds (distance) P-C4' energy: -97.539 flat angles C4'-P-C4' energy: -107.053 flat angles P-C4'-P energy: -54.271 tors. eta vs tors. theta energy: -61.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -879.166036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.166036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.166036 (E_RNA) where: Base-Base interactions energy: -487.367 where: short stacking energy: -281.879 Base-Backbone interact. energy: 2.582 local terms energy: -394.380248 where: bonds (distance) C4'-P energy: -98.654 bonds (distance) P-C4' energy: -97.221 flat angles C4'-P-C4' energy: -85.336 flat angles P-C4'-P energy: -52.579 tors. eta vs tors. theta energy: -60.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 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: 10 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -779.765009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.765009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.765009 (E_RNA) where: Base-Base interactions energy: -422.988 where: short stacking energy: -229.832 Base-Backbone interact. energy: -1.579 local terms energy: -355.197856 where: bonds (distance) C4'-P energy: -94.170 bonds (distance) P-C4' energy: -84.304 flat angles C4'-P-C4' energy: -89.074 flat angles P-C4'-P energy: -53.413 tors. eta vs tors. theta energy: -34.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -478.583730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.583730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.583730 (E_RNA) where: Base-Base interactions energy: -175.764 where: short stacking energy: -146.048 Base-Backbone interact. energy: -0.305 local terms energy: -302.515089 where: bonds (distance) C4'-P energy: -92.823 bonds (distance) P-C4' energy: -95.985 flat angles C4'-P-C4' energy: -61.020 flat angles P-C4'-P energy: -50.533 tors. eta vs tors. theta energy: -2.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -462.017963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.017963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.017963 (E_RNA) where: Base-Base interactions energy: -180.886 where: short stacking energy: -141.206 Base-Backbone interact. energy: 1.074 local terms energy: -282.205536 where: bonds (distance) C4'-P energy: -86.306 bonds (distance) P-C4' energy: -86.252 flat angles C4'-P-C4' energy: -66.501 flat angles P-C4'-P energy: -39.265 tors. eta vs tors. theta energy: -3.881 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: 9 Temperature: 1.300000 Total energy: -430.473884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.473884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.473884 (E_RNA) where: Base-Base interactions energy: -183.885 where: short stacking energy: -141.746 Base-Backbone interact. energy: -0.251 local terms energy: -246.337935 where: bonds (distance) C4'-P energy: -70.047 bonds (distance) P-C4' energy: -77.864 flat angles C4'-P-C4' energy: -68.447 flat angles P-C4'-P energy: -34.798 tors. eta vs tors. theta energy: 4.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -454.907129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.907129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.907129 (E_RNA) where: Base-Base interactions energy: -218.799 where: short stacking energy: -132.653 Base-Backbone interact. energy: 1.547 local terms energy: -237.655213 where: bonds (distance) C4'-P energy: -67.460 bonds (distance) P-C4' energy: -72.016 flat angles C4'-P-C4' energy: -52.802 flat angles P-C4'-P energy: -50.497 tors. eta vs tors. theta energy: 5.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1050.441484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.441484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.441484 (E_RNA) where: Base-Base interactions energy: -579.995 where: short stacking energy: -382.202 Base-Backbone interact. energy: -2.849 local terms energy: -467.596840 where: bonds (distance) C4'-P energy: -87.054 bonds (distance) P-C4' energy: -100.706 flat angles C4'-P-C4' energy: -104.826 flat angles P-C4'-P energy: -72.346 tors. eta vs tors. theta energy: -102.664 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: 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: -929.762813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.762813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.762813 (E_RNA) where: Base-Base interactions energy: -526.747 where: short stacking energy: -297.444 Base-Backbone interact. energy: -1.686 local terms energy: -401.330323 where: bonds (distance) C4'-P energy: -85.623 bonds (distance) P-C4' energy: -102.014 flat angles C4'-P-C4' energy: -85.474 flat angles P-C4'-P energy: -61.726 tors. eta vs tors. theta energy: -66.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -847.761911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.761911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.761911 (E_RNA) where: Base-Base interactions energy: -476.790 where: short stacking energy: -255.083 Base-Backbone interact. energy: -1.039 local terms energy: -369.932944 where: bonds (distance) C4'-P energy: -82.664 bonds (distance) P-C4' energy: -100.996 flat angles C4'-P-C4' energy: -90.709 flat angles P-C4'-P energy: -51.265 tors. eta vs tors. theta energy: -44.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -768.895309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.895309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.895309 (E_RNA) where: Base-Base interactions energy: -402.410 where: short stacking energy: -230.744 Base-Backbone interact. energy: 2.317 local terms energy: -368.802592 where: bonds (distance) C4'-P energy: -85.300 bonds (distance) P-C4' energy: -102.230 flat angles C4'-P-C4' energy: -84.511 flat angles P-C4'-P energy: -52.599 tors. eta vs tors. theta energy: -44.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -602.742145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.742145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.742145 (E_RNA) where: Base-Base interactions energy: -282.286 where: short stacking energy: -176.427 Base-Backbone interact. energy: -2.319 local terms energy: -318.137356 where: bonds (distance) C4'-P energy: -81.718 bonds (distance) P-C4' energy: -92.801 flat angles C4'-P-C4' energy: -81.827 flat angles P-C4'-P energy: -37.939 tors. eta vs tors. theta energy: -23.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -500.000567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.000567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.000567 (E_RNA) where: Base-Base interactions energy: -199.969 where: short stacking energy: -157.568 Base-Backbone interact. energy: -1.663 local terms energy: -298.368406 where: bonds (distance) C4'-P energy: -80.192 bonds (distance) P-C4' energy: -97.144 flat angles C4'-P-C4' energy: -66.537 flat angles P-C4'-P energy: -47.846 tors. eta vs tors. theta energy: -6.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -455.106896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.106896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.106896 (E_RNA) where: Base-Base interactions energy: -158.792 where: short stacking energy: -123.500 Base-Backbone interact. energy: -0.158 local terms energy: -296.156861 where: bonds (distance) C4'-P energy: -81.381 bonds (distance) P-C4' energy: -88.829 flat angles C4'-P-C4' energy: -83.489 flat angles P-C4'-P energy: -40.223 tors. eta vs tors. theta energy: -2.236 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: 9 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -502.538059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.538059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.538059 (E_RNA) where: Base-Base interactions energy: -218.194 where: short stacking energy: -139.889 Base-Backbone interact. energy: -1.086 local terms energy: -283.257367 where: bonds (distance) C4'-P energy: -73.959 bonds (distance) P-C4' energy: -86.094 flat angles C4'-P-C4' energy: -69.555 flat angles P-C4'-P energy: -45.458 tors. eta vs tors. theta energy: -8.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -434.651680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.651680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.651680 (E_RNA) where: Base-Base interactions energy: -174.708 where: short stacking energy: -125.621 Base-Backbone interact. energy: 2.314 local terms energy: -262.257967 where: bonds (distance) C4'-P energy: -74.816 bonds (distance) P-C4' energy: -88.031 flat angles C4'-P-C4' energy: -71.735 flat angles P-C4'-P energy: -30.756 tors. eta vs tors. theta energy: 3.080 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: 2 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1073.627364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.627364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.627364 (E_RNA) where: Base-Base interactions energy: -617.545 where: short stacking energy: -369.771 Base-Backbone interact. energy: 0.181 local terms energy: -456.262992 where: bonds (distance) C4'-P energy: -89.795 bonds (distance) P-C4' energy: -98.161 flat angles C4'-P-C4' energy: -99.782 flat angles P-C4'-P energy: -71.503 tors. eta vs tors. theta energy: -97.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1005.917782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.917782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.917782 (E_RNA) where: Base-Base interactions energy: -569.948 where: short stacking energy: -325.373 Base-Backbone interact. energy: -2.646 local terms energy: -433.323309 where: bonds (distance) C4'-P energy: -95.127 bonds (distance) P-C4' energy: -98.932 flat angles C4'-P-C4' energy: -96.729 flat angles P-C4'-P energy: -66.425 tors. eta vs tors. theta energy: -76.111 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: 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: 10 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -902.191740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.191740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.191740 (E_RNA) where: Base-Base interactions energy: -521.019 where: short stacking energy: -297.909 Base-Backbone interact. energy: -0.686 local terms energy: -380.486226 where: bonds (distance) C4'-P energy: -79.063 bonds (distance) P-C4' energy: -89.759 flat angles C4'-P-C4' energy: -89.710 flat angles P-C4'-P energy: -59.221 tors. eta vs tors. theta energy: -62.734 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: 3 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -802.606836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.606836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.606836 (E_RNA) where: Base-Base interactions energy: -439.771 where: short stacking energy: -267.024 Base-Backbone interact. energy: 2.892 local terms energy: -365.727874 where: bonds (distance) C4'-P energy: -80.831 bonds (distance) P-C4' energy: -92.217 flat angles C4'-P-C4' energy: -85.128 flat angles P-C4'-P energy: -56.837 tors. eta vs tors. theta energy: -50.715 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: 8 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -565.168151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.168151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.168151 (E_RNA) where: Base-Base interactions energy: -241.232 where: short stacking energy: -166.619 Base-Backbone interact. energy: 0.594 local terms energy: -324.530689 where: bonds (distance) C4'-P energy: -70.987 bonds (distance) P-C4' energy: -97.119 flat angles C4'-P-C4' energy: -69.812 flat angles P-C4'-P energy: -55.357 tors. eta vs tors. theta energy: -31.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -530.201973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.201973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.201973 (E_RNA) where: Base-Base interactions energy: -210.044 where: short stacking energy: -165.693 Base-Backbone interact. energy: 1.330 local terms energy: -321.487956 where: bonds (distance) C4'-P energy: -84.167 bonds (distance) P-C4' energy: -94.734 flat angles C4'-P-C4' energy: -76.953 flat angles P-C4'-P energy: -54.859 tors. eta vs tors. theta energy: -10.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -549.605494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.605494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.605494 (E_RNA) where: Base-Base interactions energy: -261.269 where: short stacking energy: -168.560 Base-Backbone interact. energy: 0.324 local terms energy: -288.660858 where: bonds (distance) C4'-P energy: -86.529 bonds (distance) P-C4' energy: -84.563 flat angles C4'-P-C4' energy: -59.066 flat angles P-C4'-P energy: -54.725 tors. eta vs tors. theta energy: -3.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -417.830241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.830241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.830241 (E_RNA) where: Base-Base interactions energy: -150.128 where: short stacking energy: -118.572 Base-Backbone interact. energy: -0.868 local terms energy: -266.834754 where: bonds (distance) C4'-P energy: -86.275 bonds (distance) P-C4' energy: -97.548 flat angles C4'-P-C4' energy: -60.709 flat angles P-C4'-P energy: -51.470 tors. eta vs tors. theta energy: 29.168 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: 7 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -404.241787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.241787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.241787 (E_RNA) where: Base-Base interactions energy: -149.560 where: short stacking energy: -117.944 Base-Backbone interact. energy: -0.948 local terms energy: -253.733063 where: bonds (distance) C4'-P energy: -70.960 bonds (distance) P-C4' energy: -85.252 flat angles C4'-P-C4' energy: -63.970 flat angles P-C4'-P energy: -40.681 tors. eta vs tors. theta energy: 7.130 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: 1, replica: 2 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1137.997955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.997955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.997955 (E_RNA) where: Base-Base interactions energy: -653.468 where: short stacking energy: -388.289 Base-Backbone interact. energy: -1.495 local terms energy: -483.034004 where: bonds (distance) C4'-P energy: -91.815 bonds (distance) P-C4' energy: -94.282 flat angles C4'-P-C4' energy: -105.282 flat angles P-C4'-P energy: -69.452 tors. eta vs tors. theta energy: -122.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1028.794007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.794007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.794007 (E_RNA) where: Base-Base interactions energy: -586.899 where: short stacking energy: -318.567 Base-Backbone interact. energy: -3.264 local terms energy: -438.630646 where: bonds (distance) C4'-P energy: -93.346 bonds (distance) P-C4' energy: -105.840 flat angles C4'-P-C4' energy: -102.616 flat angles P-C4'-P energy: -66.407 tors. eta vs tors. theta energy: -70.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 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: 10 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -972.292119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.292119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.292119 (E_RNA) where: Base-Base interactions energy: -555.879 where: short stacking energy: -293.617 Base-Backbone interact. energy: -1.730 local terms energy: -414.683615 where: bonds (distance) C4'-P energy: -97.396 bonds (distance) P-C4' energy: -105.515 flat angles C4'-P-C4' energy: -93.142 flat angles P-C4'-P energy: -54.791 tors. eta vs tors. theta energy: -63.840 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: 3 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -753.078611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.078611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.078611 (E_RNA) where: Base-Base interactions energy: -395.709 where: short stacking energy: -219.880 Base-Backbone interact. energy: -3.268 local terms energy: -354.101231 where: bonds (distance) C4'-P energy: -96.129 bonds (distance) P-C4' energy: -89.395 flat angles C4'-P-C4' energy: -93.073 flat angles P-C4'-P energy: -47.505 tors. eta vs tors. theta energy: -27.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -583.862978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.862978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.862978 (E_RNA) where: Base-Base interactions energy: -269.895 where: short stacking energy: -171.690 Base-Backbone interact. energy: 1.887 local terms energy: -315.855681 where: bonds (distance) C4'-P energy: -89.799 bonds (distance) P-C4' energy: -90.528 flat angles C4'-P-C4' energy: -67.184 flat angles P-C4'-P energy: -55.762 tors. eta vs tors. theta energy: -12.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -589.495319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.495319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.495319 (E_RNA) where: Base-Base interactions energy: -292.055 where: short stacking energy: -169.170 Base-Backbone interact. energy: -0.657 local terms energy: -296.783995 where: bonds (distance) C4'-P energy: -77.558 bonds (distance) P-C4' energy: -93.596 flat angles C4'-P-C4' energy: -75.369 flat angles P-C4'-P energy: -30.040 tors. eta vs tors. theta energy: -20.222 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: 6 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -497.956046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.956046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.956046 (E_RNA) where: Base-Base interactions energy: -226.085 where: short stacking energy: -153.955 Base-Backbone interact. energy: 4.042 local terms energy: -275.913765 where: bonds (distance) C4'-P energy: -87.314 bonds (distance) P-C4' energy: -80.809 flat angles C4'-P-C4' energy: -55.388 flat angles P-C4'-P energy: -52.753 tors. eta vs tors. theta energy: 0.350 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: 9, replica: 7 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -394.291610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.291610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.291610 (E_RNA) where: Base-Base interactions energy: -169.306 where: short stacking energy: -114.588 Base-Backbone interact. energy: -1.161 local terms energy: -223.824414 where: bonds (distance) C4'-P energy: -66.572 bonds (distance) P-C4' energy: -83.378 flat angles C4'-P-C4' energy: -61.288 flat angles P-C4'-P energy: -34.275 tors. eta vs tors. theta energy: 21.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -377.448544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.448544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.448544 (E_RNA) where: Base-Base interactions energy: -127.650 where: short stacking energy: -84.290 Base-Backbone interact. energy: 3.797 local terms energy: -253.596218 where: bonds (distance) C4'-P energy: -89.130 bonds (distance) P-C4' energy: -81.000 flat angles C4'-P-C4' energy: -50.517 flat angles P-C4'-P energy: -42.957 tors. eta vs tors. theta energy: 10.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1121.358980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.358980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.358980 (E_RNA) where: Base-Base interactions energy: -651.208 where: short stacking energy: -361.126 Base-Backbone interact. energy: 0.919 local terms energy: -471.069490 where: bonds (distance) C4'-P energy: -94.567 bonds (distance) P-C4' energy: -101.804 flat angles C4'-P-C4' energy: -102.679 flat angles P-C4'-P energy: -66.424 tors. eta vs tors. theta energy: -105.595 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: 5 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1036.685926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.685926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.685926 (E_RNA) where: Base-Base interactions energy: -613.444 where: short stacking energy: -346.489 Base-Backbone interact. energy: -3.266 local terms energy: -419.975620 where: bonds (distance) C4'-P energy: -87.328 bonds (distance) P-C4' energy: -93.306 flat angles C4'-P-C4' energy: -102.541 flat angles P-C4'-P energy: -62.375 tors. eta vs tors. theta energy: -74.425 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: 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: 10 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1013.710896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.710896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.710896 (E_RNA) where: Base-Base interactions energy: -618.358 where: short stacking energy: -292.404 Base-Backbone interact. energy: -0.424 local terms energy: -394.928860 where: bonds (distance) C4'-P energy: -89.454 bonds (distance) P-C4' energy: -87.479 flat angles C4'-P-C4' energy: -88.101 flat angles P-C4'-P energy: -57.832 tors. eta vs tors. theta energy: -72.063 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: 3 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -766.572315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.572315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.572315 (E_RNA) where: Base-Base interactions energy: -395.403 where: short stacking energy: -251.652 Base-Backbone interact. energy: -1.971 local terms energy: -369.198280 where: bonds (distance) C4'-P energy: -93.598 bonds (distance) P-C4' energy: -96.712 flat angles C4'-P-C4' energy: -83.935 flat angles P-C4'-P energy: -50.912 tors. eta vs tors. theta energy: -44.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -620.063578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.063578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.063578 (E_RNA) where: Base-Base interactions energy: -298.025 where: short stacking energy: -202.685 Base-Backbone interact. energy: 3.207 local terms energy: -325.245645 where: bonds (distance) C4'-P energy: -85.843 bonds (distance) P-C4' energy: -82.390 flat angles C4'-P-C4' energy: -93.444 flat angles P-C4'-P energy: -45.190 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: 7, replica: 9 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -615.322500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.322500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.322500 (E_RNA) where: Base-Base interactions energy: -313.843 where: short stacking energy: -182.137 Base-Backbone interact. energy: -1.345 local terms energy: -300.135048 where: bonds (distance) C4'-P energy: -83.887 bonds (distance) P-C4' energy: -91.202 flat angles C4'-P-C4' energy: -80.864 flat angles P-C4'-P energy: -42.409 tors. eta vs tors. theta energy: -1.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -505.904797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.904797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.904797 (E_RNA) where: Base-Base interactions energy: -219.392 where: short stacking energy: -141.100 Base-Backbone interact. energy: -2.069 local terms energy: -284.443417 where: bonds (distance) C4'-P energy: -87.414 bonds (distance) P-C4' energy: -81.970 flat angles C4'-P-C4' energy: -74.528 flat angles P-C4'-P energy: -44.191 tors. eta vs tors. theta energy: 3.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -413.661615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.661615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.661615 (E_RNA) where: Base-Base interactions energy: -151.626 where: short stacking energy: -115.153 Base-Backbone interact. energy: 0.374 local terms energy: -262.409620 where: bonds (distance) C4'-P energy: -78.707 bonds (distance) P-C4' energy: -90.623 flat angles C4'-P-C4' energy: -68.323 flat angles P-C4'-P energy: -32.423 tors. eta vs tors. theta energy: 7.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -381.790072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.790072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.790072 (E_RNA) where: Base-Base interactions energy: -128.484 where: short stacking energy: -118.245 Base-Backbone interact. energy: 2.083 local terms energy: -255.388107 where: bonds (distance) C4'-P energy: -76.157 bonds (distance) P-C4' energy: -77.153 flat angles C4'-P-C4' energy: -67.456 flat angles P-C4'-P energy: -43.282 tors. eta vs tors. theta energy: 8.660 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: 5 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1151.609725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.609725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.609725 (E_RNA) where: Base-Base interactions energy: -686.478 where: short stacking energy: -370.467 Base-Backbone interact. energy: -2.735 local terms energy: -462.396489 where: bonds (distance) C4'-P energy: -100.644 bonds (distance) P-C4' energy: -107.915 flat angles C4'-P-C4' energy: -103.820 flat angles P-C4'-P energy: -58.333 tors. eta vs tors. theta energy: -91.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1070.085048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.085048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.085048 (E_RNA) where: Base-Base interactions energy: -640.280 where: short stacking energy: -364.615 Base-Backbone interact. energy: -1.760 local terms energy: -428.044816 where: bonds (distance) C4'-P energy: -83.877 bonds (distance) P-C4' energy: -85.958 flat angles C4'-P-C4' energy: -94.975 flat angles P-C4'-P energy: -69.829 tors. eta vs tors. theta energy: -93.406 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: 10 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1110.975580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.975580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.975580 (E_RNA) where: Base-Base interactions energy: -690.334 where: short stacking energy: -331.171 Base-Backbone interact. energy: -1.939 local terms energy: -418.703162 where: bonds (distance) C4'-P energy: -97.740 bonds (distance) P-C4' energy: -85.557 flat angles C4'-P-C4' energy: -91.316 flat angles P-C4'-P energy: -58.148 tors. eta vs tors. theta energy: -85.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 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: 3 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -805.109693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.109693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.109693 (E_RNA) where: Base-Base interactions energy: -457.816 where: short stacking energy: -283.620 Base-Backbone interact. energy: 1.147 local terms energy: -348.440255 where: bonds (distance) C4'-P energy: -74.393 bonds (distance) P-C4' energy: -81.940 flat angles C4'-P-C4' energy: -90.102 flat angles P-C4'-P energy: -52.483 tors. eta vs tors. theta energy: -49.522 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: 6, replica: 8 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -665.364805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.364805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.364805 (E_RNA) where: Base-Base interactions energy: -358.227 where: short stacking energy: -211.517 Base-Backbone interact. energy: -2.549 local terms energy: -304.588879 where: bonds (distance) C4'-P energy: -80.762 bonds (distance) P-C4' energy: -88.605 flat angles C4'-P-C4' energy: -68.792 flat angles P-C4'-P energy: -51.290 tors. eta vs tors. theta energy: -15.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -560.900366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.900366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.900366 (E_RNA) where: Base-Base interactions energy: -254.247 where: short stacking energy: -150.089 Base-Backbone interact. energy: -0.560 local terms energy: -306.094068 where: bonds (distance) C4'-P energy: -73.708 bonds (distance) P-C4' energy: -77.202 flat angles C4'-P-C4' energy: -78.467 flat angles P-C4'-P energy: -58.936 tors. eta vs tors. theta energy: -17.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -521.407840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.407840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.407840 (E_RNA) where: Base-Base interactions energy: -238.301 where: short stacking energy: -145.635 Base-Backbone interact. energy: -0.871 local terms energy: -282.235313 where: bonds (distance) C4'-P energy: -67.847 bonds (distance) P-C4' energy: -87.957 flat angles C4'-P-C4' energy: -78.927 flat angles P-C4'-P energy: -46.934 tors. eta vs tors. theta energy: -0.570 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: 9, replica: 4 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -430.032480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.032480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.032480 (E_RNA) where: Base-Base interactions energy: -156.561 where: short stacking energy: -129.409 Base-Backbone interact. energy: -0.872 local terms energy: -272.599711 where: bonds (distance) C4'-P energy: -74.959 bonds (distance) P-C4' energy: -80.121 flat angles C4'-P-C4' energy: -66.818 flat angles P-C4'-P energy: -53.694 tors. eta vs tors. theta energy: 2.992 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: 7 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -386.066960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.066960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.066960 (E_RNA) where: Base-Base interactions energy: -149.392 where: short stacking energy: -135.045 Base-Backbone interact. energy: -0.613 local terms energy: -236.061561 where: bonds (distance) C4'-P energy: -65.118 bonds (distance) P-C4' energy: -74.920 flat angles C4'-P-C4' energy: -67.836 flat angles P-C4'-P energy: -24.558 tors. eta vs tors. theta energy: -3.630 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: 1, replica: 5 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1172.152964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.152964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.152964 (E_RNA) where: Base-Base interactions energy: -704.267 where: short stacking energy: -368.866 Base-Backbone interact. energy: -1.684 local terms energy: -466.202148 where: bonds (distance) C4'-P energy: -97.477 bonds (distance) P-C4' energy: -99.006 flat angles C4'-P-C4' energy: -108.337 flat angles P-C4'-P energy: -57.511 tors. eta vs tors. theta energy: -103.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1183.195899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.195899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.195899 (E_RNA) where: Base-Base interactions energy: -759.561 where: short stacking energy: -365.069 Base-Backbone interact. energy: -0.227 local terms energy: -423.408161 where: bonds (distance) C4'-P energy: -91.396 bonds (distance) P-C4' energy: -86.077 flat angles C4'-P-C4' energy: -100.466 flat angles P-C4'-P energy: -58.844 tors. eta vs tors. theta energy: -86.626 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: 15 Temperature: 1.000000 Total energy: -1022.460994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.460994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.460994 (E_RNA) where: Base-Base interactions energy: -591.393 where: short stacking energy: -315.194 Base-Backbone interact. energy: -0.472 local terms energy: -430.595646 where: bonds (distance) C4'-P energy: -90.636 bonds (distance) P-C4' energy: -90.718 flat angles C4'-P-C4' energy: -110.331 flat angles P-C4'-P energy: -63.452 tors. eta vs tors. theta energy: -75.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 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: 3 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -772.045119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.045119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.045119 (E_RNA) where: Base-Base interactions energy: -401.367 where: short stacking energy: -244.932 Base-Backbone interact. energy: -2.408 local terms energy: -368.270116 where: bonds (distance) C4'-P energy: -89.392 bonds (distance) P-C4' energy: -87.848 flat angles C4'-P-C4' energy: -90.082 flat angles P-C4'-P energy: -51.914 tors. eta vs tors. theta energy: -49.034 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: 8 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -711.564930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.564930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.564930 (E_RNA) where: Base-Base interactions energy: -356.958 where: short stacking energy: -213.829 Base-Backbone interact. energy: -2.740 local terms energy: -351.866284 where: bonds (distance) C4'-P energy: -80.747 bonds (distance) P-C4' energy: -102.191 flat angles C4'-P-C4' energy: -85.583 flat angles P-C4'-P energy: -55.934 tors. eta vs tors. theta energy: -27.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -604.959370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.959370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.959370 (E_RNA) where: Base-Base interactions energy: -301.496 where: short stacking energy: -208.758 Base-Backbone interact. energy: -0.205 local terms energy: -303.258236 where: bonds (distance) C4'-P energy: -74.929 bonds (distance) P-C4' energy: -77.922 flat angles C4'-P-C4' energy: -85.996 flat angles P-C4'-P energy: -48.765 tors. eta vs tors. theta energy: -15.645 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: 6 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -487.006737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.006737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.006737 (E_RNA) where: Base-Base interactions energy: -193.298 where: short stacking energy: -133.601 Base-Backbone interact. energy: -0.246 local terms energy: -293.462710 where: bonds (distance) C4'-P energy: -76.386 bonds (distance) P-C4' energy: -90.649 flat angles C4'-P-C4' energy: -71.239 flat angles P-C4'-P energy: -55.752 tors. eta vs tors. theta energy: 0.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -387.014053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.014053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.014053 (E_RNA) where: Base-Base interactions energy: -130.153 where: short stacking energy: -87.038 Base-Backbone interact. energy: -0.388 local terms energy: -256.473056 where: bonds (distance) C4'-P energy: -77.411 bonds (distance) P-C4' energy: -86.900 flat angles C4'-P-C4' energy: -70.056 flat angles P-C4'-P energy: -33.023 tors. eta vs tors. theta energy: 10.918 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: 10, replica: 7 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -348.639733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.639733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.639733 (E_RNA) where: Base-Base interactions energy: -95.570 where: short stacking energy: -83.931 Base-Backbone interact. energy: -2.500 local terms energy: -250.569368 where: bonds (distance) C4'-P energy: -80.997 bonds (distance) P-C4' energy: -90.412 flat angles C4'-P-C4' energy: -58.084 flat angles P-C4'-P energy: -38.028 tors. eta vs tors. theta energy: 16.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1233.225727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.225727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.225727 (E_RNA) where: Base-Base interactions energy: -781.763 where: short stacking energy: -398.391 Base-Backbone interact. energy: 1.536 local terms energy: -452.998154 where: bonds (distance) C4'-P energy: -97.076 bonds (distance) P-C4' energy: -102.941 flat angles C4'-P-C4' energy: -95.238 flat angles P-C4'-P energy: -69.217 tors. eta vs tors. theta energy: -88.525 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: 5 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1075.623536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.623536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.623536 (E_RNA) where: Base-Base interactions energy: -651.317 where: short stacking energy: -344.945 Base-Backbone interact. energy: 1.267 local terms energy: -425.574188 where: bonds (distance) C4'-P energy: -101.475 bonds (distance) P-C4' energy: -98.789 flat angles C4'-P-C4' energy: -99.410 flat angles P-C4'-P energy: -48.024 tors. eta vs tors. theta energy: -77.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -989.858338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.858338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.858338 (E_RNA) where: Base-Base interactions energy: -571.397 where: short stacking energy: -322.480 Base-Backbone interact. energy: 0.108 local terms energy: -418.568879 where: bonds (distance) C4'-P energy: -87.824 bonds (distance) P-C4' energy: -97.688 flat angles C4'-P-C4' energy: -96.717 flat angles P-C4'-P energy: -63.600 tors. eta vs tors. theta energy: -72.739 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: 4, replica: 2 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -965.708670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.708670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.708670 (E_RNA) where: Base-Base interactions energy: -586.136 where: short stacking energy: -286.530 Base-Backbone interact. energy: -0.613 local terms energy: -378.959851 where: bonds (distance) C4'-P energy: -89.740 bonds (distance) P-C4' energy: -85.615 flat angles C4'-P-C4' energy: -95.094 flat angles P-C4'-P energy: -53.550 tors. eta vs tors. theta energy: -54.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -770.968082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.968082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.968082 (E_RNA) where: Base-Base interactions energy: -406.349 where: short stacking energy: -277.875 Base-Backbone interact. energy: 0.858 local terms energy: -365.477077 where: bonds (distance) C4'-P energy: -82.009 bonds (distance) P-C4' energy: -92.959 flat angles C4'-P-C4' energy: -89.534 flat angles P-C4'-P energy: -44.754 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: 6, replica: 8 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -729.039344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.039344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.039344 (E_RNA) where: Base-Base interactions energy: -380.223 where: short stacking energy: -239.460 Base-Backbone interact. energy: 7.008 local terms energy: -355.824466 where: bonds (distance) C4'-P energy: -89.603 bonds (distance) P-C4' energy: -92.127 flat angles C4'-P-C4' energy: -68.388 flat angles P-C4'-P energy: -54.060 tors. eta vs tors. theta energy: -51.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -628.980815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.980815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.980815 (E_RNA) where: Base-Base interactions energy: -318.451 where: short stacking energy: -188.452 Base-Backbone interact. energy: 4.696 local terms energy: -315.225359 where: bonds (distance) C4'-P energy: -82.041 bonds (distance) P-C4' energy: -81.785 flat angles C4'-P-C4' energy: -84.332 flat angles P-C4'-P energy: -43.131 tors. eta vs tors. theta energy: -23.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -505.632964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.632964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.632964 (E_RNA) where: Base-Base interactions energy: -247.644 where: short stacking energy: -127.603 Base-Backbone interact. energy: 0.845 local terms energy: -258.833700 where: bonds (distance) C4'-P energy: -68.014 bonds (distance) P-C4' energy: -79.604 flat angles C4'-P-C4' energy: -72.088 flat angles P-C4'-P energy: -41.384 tors. eta vs tors. theta energy: 2.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -426.101821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.101821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.101821 (E_RNA) where: Base-Base interactions energy: -141.788 where: short stacking energy: -115.762 Base-Backbone interact. energy: -0.932 local terms energy: -283.382580 where: bonds (distance) C4'-P energy: -73.239 bonds (distance) P-C4' energy: -85.646 flat angles C4'-P-C4' energy: -68.638 flat angles P-C4'-P energy: -53.596 tors. eta vs tors. theta energy: -2.263 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: 4 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -394.891761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.891761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.891761 (E_RNA) where: Base-Base interactions energy: -169.385 where: short stacking energy: -145.894 Base-Backbone interact. energy: -1.212 local terms energy: -224.294733 where: bonds (distance) C4'-P energy: -58.269 bonds (distance) P-C4' energy: -71.334 flat angles C4'-P-C4' energy: -56.322 flat angles P-C4'-P energy: -34.459 tors. eta vs tors. theta energy: -3.911 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: 10 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1256.172445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.172445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.172445 (E_RNA) where: Base-Base interactions energy: -782.468 where: short stacking energy: -350.620 Base-Backbone interact. energy: -2.579 local terms energy: -471.125870 where: bonds (distance) C4'-P energy: -103.388 bonds (distance) P-C4' energy: -100.454 flat angles C4'-P-C4' energy: -106.166 flat angles P-C4'-P energy: -64.751 tors. eta vs tors. theta energy: -96.367 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: 5 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1061.077349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.077349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.077349 (E_RNA) where: Base-Base interactions energy: -649.179 where: short stacking energy: -358.208 Base-Backbone interact. energy: -2.761 local terms energy: -409.137274 where: bonds (distance) C4'-P energy: -87.947 bonds (distance) P-C4' energy: -86.926 flat angles C4'-P-C4' energy: -104.517 flat angles P-C4'-P energy: -49.618 tors. eta vs tors. theta energy: -80.129 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: 1 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1014.162213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.162213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.162213 (E_RNA) where: Base-Base interactions energy: -574.557 where: short stacking energy: -323.348 Base-Backbone interact. energy: -1.830 local terms energy: -437.774557 where: bonds (distance) C4'-P energy: -99.698 bonds (distance) P-C4' energy: -81.695 flat angles C4'-P-C4' energy: -90.045 flat angles P-C4'-P energy: -77.355 tors. eta vs tors. theta energy: -88.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -903.391233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.391233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.391233 (E_RNA) where: Base-Base interactions energy: -494.044 where: short stacking energy: -287.315 Base-Backbone interact. energy: -2.162 local terms energy: -407.185971 where: bonds (distance) C4'-P energy: -86.629 bonds (distance) P-C4' energy: -95.930 flat angles C4'-P-C4' energy: -92.407 flat angles P-C4'-P energy: -68.950 tors. eta vs tors. theta energy: -63.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -748.263040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.263040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.263040 (E_RNA) where: Base-Base interactions energy: -386.287 where: short stacking energy: -229.408 Base-Backbone interact. energy: -2.439 local terms energy: -359.536084 where: bonds (distance) C4'-P energy: -88.213 bonds (distance) P-C4' energy: -90.414 flat angles C4'-P-C4' energy: -77.479 flat angles P-C4'-P energy: -63.828 tors. eta vs tors. theta energy: -39.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -708.303905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.303905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.303905 (E_RNA) where: Base-Base interactions energy: -352.573 where: short stacking energy: -198.242 Base-Backbone interact. energy: -1.603 local terms energy: -354.127927 where: bonds (distance) C4'-P energy: -74.804 bonds (distance) P-C4' energy: -102.520 flat angles C4'-P-C4' energy: -82.529 flat angles P-C4'-P energy: -53.267 tors. eta vs tors. theta energy: -41.008 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: 9 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -596.893419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.893419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.893419 (E_RNA) where: Base-Base interactions energy: -292.672 where: short stacking energy: -169.968 Base-Backbone interact. energy: 1.681 local terms energy: -305.902321 where: bonds (distance) C4'-P energy: -81.883 bonds (distance) P-C4' energy: -89.176 flat angles C4'-P-C4' energy: -65.164 flat angles P-C4'-P energy: -49.215 tors. eta vs tors. theta energy: -20.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -503.536885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.536885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.536885 (E_RNA) where: Base-Base interactions energy: -208.182 where: short stacking energy: -132.772 Base-Backbone interact. energy: -0.878 local terms energy: -294.476566 where: bonds (distance) C4'-P energy: -82.483 bonds (distance) P-C4' energy: -95.057 flat angles C4'-P-C4' energy: -73.045 flat angles P-C4'-P energy: -47.915 tors. eta vs tors. theta energy: 4.022 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: 17 Temperature: 1.300000 Total energy: -441.350608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.350608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.350608 (E_RNA) where: Base-Base interactions energy: -175.310 where: short stacking energy: -137.955 Base-Backbone interact. energy: -1.744 local terms energy: -264.296074 where: bonds (distance) C4'-P energy: -70.617 bonds (distance) P-C4' energy: -91.704 flat angles C4'-P-C4' energy: -62.592 flat angles P-C4'-P energy: -46.787 tors. eta vs tors. theta energy: 7.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -358.731083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.731083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.731083 (E_RNA) where: Base-Base interactions energy: -112.118 where: short stacking energy: -87.650 Base-Backbone interact. energy: -0.461 local terms energy: -246.151611 where: bonds (distance) C4'-P energy: -82.368 bonds (distance) P-C4' energy: -80.401 flat angles C4'-P-C4' energy: -58.040 flat angles P-C4'-P energy: -48.235 tors. eta vs tors. theta energy: 22.893 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: 10 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1271.241463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.241463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.241463 (E_RNA) where: Base-Base interactions energy: -816.972 where: short stacking energy: -392.406 Base-Backbone interact. energy: -1.842 local terms energy: -452.427422 where: bonds (distance) C4'-P energy: -98.109 bonds (distance) P-C4' energy: -97.730 flat angles C4'-P-C4' energy: -98.681 flat angles P-C4'-P energy: -53.991 tors. eta vs tors. theta energy: -103.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1004.378050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.378050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.378050 (E_RNA) where: Base-Base interactions energy: -588.607 where: short stacking energy: -320.118 Base-Backbone interact. energy: -3.918 local terms energy: -411.853569 where: bonds (distance) C4'-P energy: -95.163 bonds (distance) P-C4' energy: -86.970 flat angles C4'-P-C4' energy: -94.813 flat angles P-C4'-P energy: -53.998 tors. eta vs tors. theta energy: -80.910 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: 2 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -990.009694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.009694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.009694 (E_RNA) where: Base-Base interactions energy: -569.847 where: short stacking energy: -332.498 Base-Backbone interact. energy: -2.155 local terms energy: -418.007291 where: bonds (distance) C4'-P energy: -87.798 bonds (distance) P-C4' energy: -97.360 flat angles C4'-P-C4' energy: -90.163 flat angles P-C4'-P energy: -47.929 tors. eta vs tors. theta energy: -94.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -986.789796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.789796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.789796 (E_RNA) where: Base-Base interactions energy: -591.751 where: short stacking energy: -314.466 Base-Backbone interact. energy: -0.310 local terms energy: -394.728104 where: bonds (distance) C4'-P energy: -83.030 bonds (distance) P-C4' energy: -99.153 flat angles C4'-P-C4' energy: -84.587 flat angles P-C4'-P energy: -54.501 tors. eta vs tors. theta energy: -73.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -759.423879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.423879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.423879 (E_RNA) where: Base-Base interactions energy: -406.797 where: short stacking energy: -233.688 Base-Backbone interact. energy: -1.827 local terms energy: -350.799859 where: bonds (distance) C4'-P energy: -85.337 bonds (distance) P-C4' energy: -86.192 flat angles C4'-P-C4' energy: -78.898 flat angles P-C4'-P energy: -65.144 tors. eta vs tors. theta energy: -35.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -699.047028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.047028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.047028 (E_RNA) where: Base-Base interactions energy: -359.298 where: short stacking energy: -211.408 Base-Backbone interact. energy: 1.078 local terms energy: -340.827588 where: bonds (distance) C4'-P energy: -76.849 bonds (distance) P-C4' energy: -94.479 flat angles C4'-P-C4' energy: -91.866 flat angles P-C4'-P energy: -48.622 tors. eta vs tors. theta energy: -29.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -663.757803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.757803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.757803 (E_RNA) where: Base-Base interactions energy: -339.181 where: short stacking energy: -182.136 Base-Backbone interact. energy: -0.112 local terms energy: -324.465538 where: bonds (distance) C4'-P energy: -84.344 bonds (distance) P-C4' energy: -88.549 flat angles C4'-P-C4' energy: -73.254 flat angles P-C4'-P energy: -52.226 tors. eta vs tors. theta energy: -26.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -573.856385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.856385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.856385 (E_RNA) where: Base-Base interactions energy: -271.737 where: short stacking energy: -183.441 Base-Backbone interact. energy: -0.315 local terms energy: -301.803865 where: bonds (distance) C4'-P energy: -79.266 bonds (distance) P-C4' energy: -85.250 flat angles C4'-P-C4' energy: -80.462 flat angles P-C4'-P energy: -36.922 tors. eta vs tors. theta energy: -19.904 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: 18 Temperature: 1.300000 Total energy: -429.626223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.626223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.626223 (E_RNA) where: Base-Base interactions energy: -164.850 where: short stacking energy: -139.021 Base-Backbone interact. energy: 2.040 local terms energy: -266.815778 where: bonds (distance) C4'-P energy: -75.784 bonds (distance) P-C4' energy: -78.578 flat angles C4'-P-C4' energy: -74.642 flat angles P-C4'-P energy: -42.996 tors. eta vs tors. theta energy: 5.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -389.139183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.139183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.139183 (E_RNA) where: Base-Base interactions energy: -161.412 where: short stacking energy: -119.695 Base-Backbone interact. energy: 3.548 local terms energy: -231.275629 where: bonds (distance) C4'-P energy: -59.460 bonds (distance) P-C4' energy: -79.874 flat angles C4'-P-C4' energy: -63.489 flat angles P-C4'-P energy: -38.026 tors. eta vs tors. theta energy: 9.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1278.947066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.947066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.947066 (E_RNA) where: Base-Base interactions energy: -803.460 where: short stacking energy: -381.127 Base-Backbone interact. energy: -2.061 local terms energy: -473.425503 where: bonds (distance) C4'-P energy: -99.975 bonds (distance) P-C4' energy: -108.332 flat angles C4'-P-C4' energy: -100.105 flat angles P-C4'-P energy: -69.444 tors. eta vs tors. theta energy: -95.569 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: 5 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1045.389512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.389512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.389512 (E_RNA) where: Base-Base interactions energy: -619.411 where: short stacking energy: -333.133 Base-Backbone interact. energy: 0.410 local terms energy: -426.388431 where: bonds (distance) C4'-P energy: -89.834 bonds (distance) P-C4' energy: -100.284 flat angles C4'-P-C4' energy: -82.952 flat angles P-C4'-P energy: -68.091 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: 3, replica: 2 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1028.943200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.943200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.943200 (E_RNA) where: Base-Base interactions energy: -607.797 where: short stacking energy: -336.683 Base-Backbone interact. energy: 1.471 local terms energy: -422.617328 where: bonds (distance) C4'-P energy: -80.532 bonds (distance) P-C4' energy: -92.271 flat angles C4'-P-C4' energy: -107.586 flat angles P-C4'-P energy: -59.880 tors. eta vs tors. theta energy: -82.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1007.569743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.569743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.569743 (E_RNA) where: Base-Base interactions energy: -578.726 where: short stacking energy: -316.701 Base-Backbone interact. energy: -3.758 local terms energy: -425.085438 where: bonds (distance) C4'-P energy: -95.800 bonds (distance) P-C4' energy: -86.711 flat angles C4'-P-C4' energy: -102.053 flat angles P-C4'-P energy: -54.325 tors. eta vs tors. theta energy: -86.196 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: 5, replica: 8 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -783.044369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.044369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.044369 (E_RNA) where: Base-Base interactions energy: -422.096 where: short stacking energy: -258.399 Base-Backbone interact. energy: 0.112 local terms energy: -361.060229 where: bonds (distance) C4'-P energy: -80.758 bonds (distance) P-C4' energy: -88.685 flat angles C4'-P-C4' energy: -76.297 flat angles P-C4'-P energy: -60.831 tors. eta vs tors. theta energy: -54.489 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: 6, replica: 9 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -773.119024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.119024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.119024 (E_RNA) where: Base-Base interactions energy: -401.205 where: short stacking energy: -223.687 Base-Backbone interact. energy: 0.217 local terms energy: -372.131416 where: bonds (distance) C4'-P energy: -85.947 bonds (distance) P-C4' energy: -94.699 flat angles C4'-P-C4' energy: -81.502 flat angles P-C4'-P energy: -64.110 tors. eta vs tors. theta energy: -45.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -668.686474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.686474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.686474 (E_RNA) where: Base-Base interactions energy: -347.216 where: short stacking energy: -205.404 Base-Backbone interact. energy: -0.243 local terms energy: -321.227710 where: bonds (distance) C4'-P energy: -83.590 bonds (distance) P-C4' energy: -85.031 flat angles C4'-P-C4' energy: -82.257 flat angles P-C4'-P energy: -42.049 tors. eta vs tors. theta energy: -28.301 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: 6 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -579.022886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.022886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.022886 (E_RNA) where: Base-Base interactions energy: -288.311 where: short stacking energy: -163.495 Base-Backbone interact. energy: -0.937 local terms energy: -289.775571 where: bonds (distance) C4'-P energy: -63.748 bonds (distance) P-C4' energy: -72.348 flat angles C4'-P-C4' energy: -82.050 flat angles P-C4'-P energy: -56.588 tors. eta vs tors. theta energy: -15.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -416.380165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.380165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.380165 (E_RNA) where: Base-Base interactions energy: -163.640 where: short stacking energy: -129.063 Base-Backbone interact. energy: -0.874 local terms energy: -251.866761 where: bonds (distance) C4'-P energy: -84.958 bonds (distance) P-C4' energy: -75.207 flat angles C4'-P-C4' energy: -60.446 flat angles P-C4'-P energy: -41.910 tors. eta vs tors. theta energy: 10.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -382.596174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.596174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.596174 (E_RNA) where: Base-Base interactions energy: -130.016 where: short stacking energy: -117.990 Base-Backbone interact. energy: -1.663 local terms energy: -250.916579 where: bonds (distance) C4'-P energy: -81.539 bonds (distance) P-C4' energy: -77.096 flat angles C4'-P-C4' energy: -61.943 flat angles P-C4'-P energy: -35.831 tors. eta vs tors. theta energy: 5.491 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: 10 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1265.876997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.876997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.876997 (E_RNA) where: Base-Base interactions energy: -804.225 where: short stacking energy: -369.384 Base-Backbone interact. energy: -3.205 local terms energy: -458.447080 where: bonds (distance) C4'-P energy: -98.516 bonds (distance) P-C4' energy: -92.487 flat angles C4'-P-C4' energy: -97.425 flat angles P-C4'-P energy: -71.719 tors. eta vs tors. theta energy: -98.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1089.063031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.063031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.063031 (E_RNA) where: Base-Base interactions energy: -660.178 where: short stacking energy: -337.415 Base-Backbone interact. energy: 1.527 local terms energy: -430.412239 where: bonds (distance) C4'-P energy: -88.447 bonds (distance) P-C4' energy: -89.352 flat angles C4'-P-C4' energy: -100.699 flat angles P-C4'-P energy: -60.273 tors. eta vs tors. theta energy: -91.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1107.131383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.131383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.131383 (E_RNA) where: Base-Base interactions energy: -659.969 where: short stacking energy: -376.456 Base-Backbone interact. energy: -1.776 local terms energy: -445.386841 where: bonds (distance) C4'-P energy: -93.962 bonds (distance) P-C4' energy: -106.292 flat angles C4'-P-C4' energy: -86.632 flat angles P-C4'-P energy: -65.440 tors. eta vs tors. theta energy: -93.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1012.799623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.799623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.799623 (E_RNA) where: Base-Base interactions energy: -590.522 where: short stacking energy: -313.296 Base-Backbone interact. energy: -3.042 local terms energy: -419.235812 where: bonds (distance) C4'-P energy: -89.830 bonds (distance) P-C4' energy: -94.387 flat angles C4'-P-C4' energy: -99.548 flat angles P-C4'-P energy: -66.173 tors. eta vs tors. theta energy: -69.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -906.428133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.428133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.428133 (E_RNA) where: Base-Base interactions energy: -512.217 where: short stacking energy: -270.937 Base-Backbone interact. energy: 0.377 local terms energy: -394.588029 where: bonds (distance) C4'-P energy: -95.667 bonds (distance) P-C4' energy: -97.587 flat angles C4'-P-C4' energy: -92.629 flat angles P-C4'-P energy: -48.318 tors. eta vs tors. theta energy: -60.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -721.314935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.314935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.314935 (E_RNA) where: Base-Base interactions energy: -396.320 where: short stacking energy: -245.128 Base-Backbone interact. energy: 1.866 local terms energy: -326.860387 where: bonds (distance) C4'-P energy: -73.674 bonds (distance) P-C4' energy: -83.669 flat angles C4'-P-C4' energy: -78.260 flat angles P-C4'-P energy: -47.517 tors. eta vs tors. theta energy: -43.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -684.608555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.608555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.608555 (E_RNA) where: Base-Base interactions energy: -378.666 where: short stacking energy: -198.613 Base-Backbone interact. energy: -2.781 local terms energy: -303.161699 where: bonds (distance) C4'-P energy: -76.044 bonds (distance) P-C4' energy: -75.854 flat angles C4'-P-C4' energy: -88.050 flat angles P-C4'-P energy: -42.664 tors. eta vs tors. theta energy: -20.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -586.877666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.877666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.877666 (E_RNA) where: Base-Base interactions energy: -286.391 where: short stacking energy: -178.658 Base-Backbone interact. energy: -0.808 local terms energy: -299.678430 where: bonds (distance) C4'-P energy: -75.521 bonds (distance) P-C4' energy: -62.351 flat angles C4'-P-C4' energy: -85.929 flat angles P-C4'-P energy: -54.460 tors. eta vs tors. theta energy: -21.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -475.734761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.734761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.734761 (E_RNA) where: Base-Base interactions energy: -224.712 where: short stacking energy: -165.076 Base-Backbone interact. energy: 11.274 local terms energy: -262.296651 where: bonds (distance) C4'-P energy: -68.953 bonds (distance) P-C4' energy: -83.938 flat angles C4'-P-C4' energy: -86.045 flat angles P-C4'-P energy: -30.768 tors. eta vs tors. theta energy: 7.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -376.421044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.421044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.421044 (E_RNA) where: Base-Base interactions energy: -121.927 where: short stacking energy: -108.031 Base-Backbone interact. energy: 0.252 local terms energy: -254.746106 where: bonds (distance) C4'-P energy: -81.667 bonds (distance) P-C4' energy: -75.736 flat angles C4'-P-C4' energy: -68.253 flat angles P-C4'-P energy: -39.806 tors. eta vs tors. theta energy: 10.715 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: 10 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1284.375986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.375986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.375986 (E_RNA) where: Base-Base interactions energy: -816.202 where: short stacking energy: -393.435 Base-Backbone interact. energy: -3.898 local terms energy: -464.276071 where: bonds (distance) C4'-P energy: -92.612 bonds (distance) P-C4' energy: -94.731 flat angles C4'-P-C4' energy: -93.630 flat angles P-C4'-P energy: -77.760 tors. eta vs tors. theta energy: -105.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1114.063123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.063123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.063123 (E_RNA) where: Base-Base interactions energy: -665.593 where: short stacking energy: -358.885 Base-Backbone interact. energy: -0.169 local terms energy: -448.301873 where: bonds (distance) C4'-P energy: -91.408 bonds (distance) P-C4' energy: -96.515 flat angles C4'-P-C4' energy: -104.362 flat angles P-C4'-P energy: -65.020 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: 3, replica: 2 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1078.299254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.299254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.299254 (E_RNA) where: Base-Base interactions energy: -644.333 where: short stacking energy: -343.252 Base-Backbone interact. energy: -2.343 local terms energy: -431.623884 where: bonds (distance) C4'-P energy: -94.596 bonds (distance) P-C4' energy: -99.841 flat angles C4'-P-C4' energy: -88.381 flat angles P-C4'-P energy: -57.559 tors. eta vs tors. theta energy: -91.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -978.762201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.762201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.762201 (E_RNA) where: Base-Base interactions energy: -614.812 where: short stacking energy: -282.576 Base-Backbone interact. energy: -2.337 local terms energy: -361.613733 where: bonds (distance) C4'-P energy: -78.860 bonds (distance) P-C4' energy: -78.653 flat angles C4'-P-C4' energy: -90.391 flat angles P-C4'-P energy: -58.005 tors. eta vs tors. theta energy: -55.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -939.315250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.315250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.315250 (E_RNA) where: Base-Base interactions energy: -560.930 where: short stacking energy: -268.911 Base-Backbone interact. energy: -0.530 local terms energy: -377.855643 where: bonds (distance) C4'-P energy: -81.549 bonds (distance) P-C4' energy: -98.217 flat angles C4'-P-C4' energy: -89.506 flat angles P-C4'-P energy: -55.939 tors. eta vs tors. theta energy: -52.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -770.646391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.646391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.646391 (E_RNA) where: Base-Base interactions energy: -429.883 where: short stacking energy: -256.871 Base-Backbone interact. energy: -2.053 local terms energy: -338.710676 where: bonds (distance) C4'-P energy: -81.386 bonds (distance) P-C4' energy: -87.610 flat angles C4'-P-C4' energy: -77.170 flat angles P-C4'-P energy: -55.376 tors. eta vs tors. theta energy: -37.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -744.124042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.124042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.124042 (E_RNA) where: Base-Base interactions energy: -409.566 where: short stacking energy: -214.190 Base-Backbone interact. energy: -1.146 local terms energy: -333.411743 where: bonds (distance) C4'-P energy: -93.073 bonds (distance) P-C4' energy: -85.704 flat angles C4'-P-C4' energy: -88.275 flat angles P-C4'-P energy: -27.365 tors. eta vs tors. theta energy: -38.994 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: 3 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -586.525791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.525791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.525791 (E_RNA) where: Base-Base interactions energy: -284.972 where: short stacking energy: -182.296 Base-Backbone interact. energy: 5.307 local terms energy: -306.861121 where: bonds (distance) C4'-P energy: -86.383 bonds (distance) P-C4' energy: -67.963 flat angles C4'-P-C4' energy: -84.338 flat angles P-C4'-P energy: -33.241 tors. eta vs tors. theta energy: -34.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -493.360131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.360131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.360131 (E_RNA) where: Base-Base interactions energy: -229.212 where: short stacking energy: -106.144 Base-Backbone interact. energy: -1.783 local terms energy: -262.364984 where: bonds (distance) C4'-P energy: -85.639 bonds (distance) P-C4' energy: -74.094 flat angles C4'-P-C4' energy: -68.834 flat angles P-C4'-P energy: -47.683 tors. eta vs tors. theta energy: 13.886 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: 21 Temperature: 1.350000 Total energy: -363.519955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.519955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.519955 (E_RNA) where: Base-Base interactions energy: -115.458 where: short stacking energy: -108.262 Base-Backbone interact. energy: 1.146 local terms energy: -249.207976 where: bonds (distance) C4'-P energy: -72.387 bonds (distance) P-C4' energy: -75.692 flat angles C4'-P-C4' energy: -69.696 flat angles P-C4'-P energy: -47.092 tors. eta vs tors. theta energy: 15.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1304.793340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.793340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.793340 (E_RNA) where: Base-Base interactions energy: -840.983 where: short stacking energy: -401.928 Base-Backbone interact. energy: -2.573 local terms energy: -461.237254 where: bonds (distance) C4'-P energy: -98.785 bonds (distance) P-C4' energy: -92.029 flat angles C4'-P-C4' energy: -101.783 flat angles P-C4'-P energy: -63.435 tors. eta vs tors. theta energy: -105.205 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: 5 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1109.278173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.278173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.278173 (E_RNA) where: Base-Base interactions energy: -693.075 where: short stacking energy: -339.069 Base-Backbone interact. energy: -1.582 local terms energy: -414.621371 where: bonds (distance) C4'-P energy: -92.426 bonds (distance) P-C4' energy: -90.869 flat angles C4'-P-C4' energy: -101.761 flat angles P-C4'-P energy: -56.850 tors. eta vs tors. theta energy: -72.715 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: 22 Temperature: 1.000000 Total energy: -1045.309406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.309406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.309406 (E_RNA) where: Base-Base interactions energy: -628.781 where: short stacking energy: -322.327 Base-Backbone interact. energy: -1.746 local terms energy: -414.782762 where: bonds (distance) C4'-P energy: -95.665 bonds (distance) P-C4' energy: -87.676 flat angles C4'-P-C4' energy: -91.425 flat angles P-C4'-P energy: -51.562 tors. eta vs tors. theta energy: -88.456 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: 2 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1013.182836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.182836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.182836 (E_RNA) where: Base-Base interactions energy: -621.194 where: short stacking energy: -299.313 Base-Backbone interact. energy: 0.118 local terms energy: -392.106611 where: bonds (distance) C4'-P energy: -80.394 bonds (distance) P-C4' energy: -95.992 flat angles C4'-P-C4' energy: -94.566 flat angles P-C4'-P energy: -49.441 tors. eta vs tors. theta energy: -71.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -945.940604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.940604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.940604 (E_RNA) where: Base-Base interactions energy: -552.517 where: short stacking energy: -291.165 Base-Backbone interact. energy: 1.337 local terms energy: -394.761015 where: bonds (distance) C4'-P energy: -91.231 bonds (distance) P-C4' energy: -94.631 flat angles C4'-P-C4' energy: -94.731 flat angles P-C4'-P energy: -54.367 tors. eta vs tors. theta energy: -59.801 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: 8 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -791.746807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.746807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.746807 (E_RNA) where: Base-Base interactions energy: -449.642 where: short stacking energy: -267.326 Base-Backbone interact. energy: 2.390 local terms energy: -344.495183 where: bonds (distance) C4'-P energy: -70.362 bonds (distance) P-C4' energy: -83.815 flat angles C4'-P-C4' energy: -88.033 flat angles P-C4'-P energy: -50.961 tors. eta vs tors. theta energy: -51.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -751.251384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.251384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.251384 (E_RNA) where: Base-Base interactions energy: -435.640 where: short stacking energy: -234.659 Base-Backbone interact. energy: -2.012 local terms energy: -313.599606 where: bonds (distance) C4'-P energy: -85.249 bonds (distance) P-C4' energy: -77.941 flat angles C4'-P-C4' energy: -62.038 flat angles P-C4'-P energy: -48.400 tors. eta vs tors. theta energy: -39.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -587.234864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.234864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.234864 (E_RNA) where: Base-Base interactions energy: -271.427 where: short stacking energy: -174.908 Base-Backbone interact. energy: -0.830 local terms energy: -314.977982 where: bonds (distance) C4'-P energy: -78.652 bonds (distance) P-C4' energy: -90.906 flat angles C4'-P-C4' energy: -79.865 flat angles P-C4'-P energy: -48.044 tors. eta vs tors. theta energy: -17.511 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: 9, replica: 4 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -489.359542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.359542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.359542 (E_RNA) where: Base-Base interactions energy: -210.423 where: short stacking energy: -137.703 Base-Backbone interact. energy: -0.242 local terms energy: -278.693751 where: bonds (distance) C4'-P energy: -77.348 bonds (distance) P-C4' energy: -99.250 flat angles C4'-P-C4' energy: -76.787 flat angles P-C4'-P energy: -23.980 tors. eta vs tors. theta energy: -1.330 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: 7 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -389.585651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.585651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.585651 (E_RNA) where: Base-Base interactions energy: -124.099 where: short stacking energy: -93.832 Base-Backbone interact. energy: 4.133 local terms energy: -269.620114 where: bonds (distance) C4'-P energy: -75.344 bonds (distance) P-C4' energy: -86.727 flat angles C4'-P-C4' energy: -68.188 flat angles P-C4'-P energy: -51.381 tors. eta vs tors. theta energy: 12.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1334.350039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.350039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.350039 (E_RNA) where: Base-Base interactions energy: -860.957 where: short stacking energy: -412.747 Base-Backbone interact. energy: -3.193 local terms energy: -470.200242 where: bonds (distance) C4'-P energy: -81.369 bonds (distance) P-C4' energy: -101.765 flat angles C4'-P-C4' energy: -107.987 flat angles P-C4'-P energy: -69.626 tors. eta vs tors. theta energy: -109.453 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: 5 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1111.256805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.256805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.256805 (E_RNA) where: Base-Base interactions energy: -665.711 where: short stacking energy: -332.694 Base-Backbone interact. energy: -2.433 local terms energy: -443.113027 where: bonds (distance) C4'-P energy: -93.250 bonds (distance) P-C4' energy: -110.302 flat angles C4'-P-C4' energy: -105.982 flat angles P-C4'-P energy: -55.823 tors. eta vs tors. theta energy: -77.756 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: 1 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1074.072488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.072488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.072488 (E_RNA) where: Base-Base interactions energy: -649.985 where: short stacking energy: -342.169 Base-Backbone interact. energy: -0.697 local terms energy: -423.390613 where: bonds (distance) C4'-P energy: -82.766 bonds (distance) P-C4' energy: -90.463 flat angles C4'-P-C4' energy: -106.024 flat angles P-C4'-P energy: -59.138 tors. eta vs tors. theta energy: -84.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1068.476457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.476457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.476457 (E_RNA) where: Base-Base interactions energy: -635.517 where: short stacking energy: -334.677 Base-Backbone interact. energy: -1.357 local terms energy: -431.602406 where: bonds (distance) C4'-P energy: -93.270 bonds (distance) P-C4' energy: -91.410 flat angles C4'-P-C4' energy: -90.389 flat angles P-C4'-P energy: -72.265 tors. eta vs tors. theta energy: -84.270 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: 9 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -969.640983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.640983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.640983 (E_RNA) where: Base-Base interactions energy: -574.756 where: short stacking energy: -312.225 Base-Backbone interact. energy: -1.243 local terms energy: -393.641321 where: bonds (distance) C4'-P energy: -76.428 bonds (distance) P-C4' energy: -97.646 flat angles C4'-P-C4' energy: -92.518 flat angles P-C4'-P energy: -52.948 tors. eta vs tors. theta energy: -74.102 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: 8 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -797.043533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.043533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.043533 (E_RNA) where: Base-Base interactions energy: -449.676 where: short stacking energy: -259.340 Base-Backbone interact. energy: 2.757 local terms energy: -350.124515 where: bonds (distance) C4'-P energy: -84.614 bonds (distance) P-C4' energy: -82.737 flat angles C4'-P-C4' energy: -93.884 flat angles P-C4'-P energy: -36.596 tors. eta vs tors. theta energy: -52.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -749.327732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.327732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.327732 (E_RNA) where: Base-Base interactions energy: -431.523 where: short stacking energy: -229.046 Base-Backbone interact. energy: -1.729 local terms energy: -316.076389 where: bonds (distance) C4'-P energy: -69.682 bonds (distance) P-C4' energy: -95.338 flat angles C4'-P-C4' energy: -66.428 flat angles P-C4'-P energy: -46.399 tors. eta vs tors. theta energy: -38.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -583.520945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.520945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.520945 (E_RNA) where: Base-Base interactions energy: -279.651 where: short stacking energy: -163.111 Base-Backbone interact. energy: -1.171 local terms energy: -302.698722 where: bonds (distance) C4'-P energy: -75.101 bonds (distance) P-C4' energy: -86.949 flat angles C4'-P-C4' energy: -81.495 flat angles P-C4'-P energy: -53.773 tors. eta vs tors. theta energy: -5.381 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: 23 Temperature: 1.300000 Total energy: -484.347269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.347269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.347269 (E_RNA) where: Base-Base interactions energy: -229.703 where: short stacking energy: -149.113 Base-Backbone interact. energy: -1.666 local terms energy: -252.979032 where: bonds (distance) C4'-P energy: -79.611 bonds (distance) P-C4' energy: -86.284 flat angles C4'-P-C4' energy: -49.174 flat angles P-C4'-P energy: -36.823 tors. eta vs tors. theta energy: -1.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -376.839094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.839094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.839094 (E_RNA) where: Base-Base interactions energy: -125.828 where: short stacking energy: -107.639 Base-Backbone interact. energy: 2.232 local terms energy: -253.243419 where: bonds (distance) C4'-P energy: -82.758 bonds (distance) P-C4' energy: -63.231 flat angles C4'-P-C4' energy: -75.039 flat angles P-C4'-P energy: -36.878 tors. eta vs tors. theta energy: 4.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1330.942016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.942016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.942016 (E_RNA) where: Base-Base interactions energy: -855.756 where: short stacking energy: -406.682 Base-Backbone interact. energy: -4.739 local terms energy: -470.446900 where: bonds (distance) C4'-P energy: -88.184 bonds (distance) P-C4' energy: -102.029 flat angles C4'-P-C4' energy: -98.797 flat angles P-C4'-P energy: -70.913 tors. eta vs tors. theta energy: -110.523 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: 5 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1139.997171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.997171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.997171 (E_RNA) where: Base-Base interactions energy: -688.786 where: short stacking energy: -344.874 Base-Backbone interact. energy: -2.719 local terms energy: -448.491890 where: bonds (distance) C4'-P energy: -103.444 bonds (distance) P-C4' energy: -108.124 flat angles C4'-P-C4' energy: -91.143 flat angles P-C4'-P energy: -61.711 tors. eta vs tors. theta energy: -84.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1050.733073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.733073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.733073 (E_RNA) where: Base-Base interactions energy: -627.359 where: short stacking energy: -334.578 Base-Backbone interact. energy: 3.412 local terms energy: -426.785445 where: bonds (distance) C4'-P energy: -87.417 bonds (distance) P-C4' energy: -93.397 flat angles C4'-P-C4' energy: -103.750 flat angles P-C4'-P energy: -59.994 tors. eta vs tors. theta energy: -82.227 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: 4, replica: 1 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1030.287787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.287787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.287787 (E_RNA) where: Base-Base interactions energy: -608.991 where: short stacking energy: -313.289 Base-Backbone interact. energy: -0.924 local terms energy: -420.372302 where: bonds (distance) C4'-P energy: -84.953 bonds (distance) P-C4' energy: -100.434 flat angles C4'-P-C4' energy: -91.579 flat angles P-C4'-P energy: -68.454 tors. eta vs tors. theta energy: -74.952 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: 9 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -953.430841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.430841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.430841 (E_RNA) where: Base-Base interactions energy: -574.336 where: short stacking energy: -314.039 Base-Backbone interact. energy: -0.084 local terms energy: -379.010641 where: bonds (distance) C4'-P energy: -84.269 bonds (distance) P-C4' energy: -79.345 flat angles C4'-P-C4' energy: -79.231 flat angles P-C4'-P energy: -58.320 tors. eta vs tors. theta energy: -77.845 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: 6, replica: 8 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -811.297441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.297441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.297441 (E_RNA) where: Base-Base interactions energy: -435.775 where: short stacking energy: -252.086 Base-Backbone interact. energy: -1.164 local terms energy: -374.359068 where: bonds (distance) C4'-P energy: -83.894 bonds (distance) P-C4' energy: -85.056 flat angles C4'-P-C4' energy: -90.036 flat angles P-C4'-P energy: -58.830 tors. eta vs tors. theta energy: -56.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -786.601276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.601276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.601276 (E_RNA) where: Base-Base interactions energy: -456.876 where: short stacking energy: -205.100 Base-Backbone interact. energy: 2.524 local terms energy: -332.248895 where: bonds (distance) C4'-P energy: -72.030 bonds (distance) P-C4' energy: -101.238 flat angles C4'-P-C4' energy: -88.235 flat angles P-C4'-P energy: -35.756 tors. eta vs tors. theta energy: -34.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -611.258371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.258371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.258371 (E_RNA) where: Base-Base interactions energy: -305.461 where: short stacking energy: -179.879 Base-Backbone interact. energy: -1.167 local terms energy: -304.630484 where: bonds (distance) C4'-P energy: -67.591 bonds (distance) P-C4' energy: -100.641 flat angles C4'-P-C4' energy: -73.053 flat angles P-C4'-P energy: -44.155 tors. eta vs tors. theta energy: -19.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -535.997491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.997491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.997491 (E_RNA) where: Base-Base interactions energy: -257.026 where: short stacking energy: -148.057 Base-Backbone interact. energy: -1.206 local terms energy: -277.765719 where: bonds (distance) C4'-P energy: -70.193 bonds (distance) P-C4' energy: -84.878 flat angles C4'-P-C4' energy: -80.670 flat angles P-C4'-P energy: -34.755 tors. eta vs tors. theta energy: -7.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -394.847081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.847081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.847081 (E_RNA) where: Base-Base interactions energy: -144.168 where: short stacking energy: -126.397 Base-Backbone interact. energy: 0.652 local terms energy: -251.330981 where: bonds (distance) C4'-P energy: -65.246 bonds (distance) P-C4' energy: -83.075 flat angles C4'-P-C4' energy: -64.411 flat angles P-C4'-P energy: -48.517 tors. eta vs tors. theta energy: 9.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1316.158347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.158347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.158347 (E_RNA) where: Base-Base interactions energy: -859.509 where: short stacking energy: -417.999 Base-Backbone interact. energy: -4.730 local terms energy: -451.919018 where: bonds (distance) C4'-P energy: -82.904 bonds (distance) P-C4' energy: -87.427 flat angles C4'-P-C4' energy: -105.879 flat angles P-C4'-P energy: -69.611 tors. eta vs tors. theta energy: -106.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1145.309357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.309357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.309357 (E_RNA) where: Base-Base interactions energy: -706.058 where: short stacking energy: -348.067 Base-Backbone interact. energy: -0.546 local terms energy: -438.705274 where: bonds (distance) C4'-P energy: -90.213 bonds (distance) P-C4' energy: -89.807 flat angles C4'-P-C4' energy: -106.741 flat angles P-C4'-P energy: -57.850 tors. eta vs tors. theta energy: -94.094 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: 2 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1103.224769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.224769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.224769 (E_RNA) where: Base-Base interactions energy: -665.489 where: short stacking energy: -360.728 Base-Backbone interact. energy: -2.454 local terms energy: -435.281815 where: bonds (distance) C4'-P energy: -91.411 bonds (distance) P-C4' energy: -95.710 flat angles C4'-P-C4' energy: -86.083 flat angles P-C4'-P energy: -69.041 tors. eta vs tors. theta energy: -93.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -973.928688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.928688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.928688 (E_RNA) where: Base-Base interactions energy: -585.963 where: short stacking energy: -282.716 Base-Backbone interact. energy: -2.806 local terms energy: -385.159023 where: bonds (distance) C4'-P energy: -80.658 bonds (distance) P-C4' energy: -86.453 flat angles C4'-P-C4' energy: -101.959 flat angles P-C4'-P energy: -58.210 tors. eta vs tors. theta energy: -57.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -982.243277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.243277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.243277 (E_RNA) where: Base-Base interactions energy: -570.972 where: short stacking energy: -311.317 Base-Backbone interact. energy: -2.857 local terms energy: -408.415047 where: bonds (distance) C4'-P energy: -91.490 bonds (distance) P-C4' energy: -96.924 flat angles C4'-P-C4' energy: -87.111 flat angles P-C4'-P energy: -58.049 tors. eta vs tors. theta energy: -74.841 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: 6 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -805.454646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.454646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.454646 (E_RNA) where: Base-Base interactions energy: -443.661 where: short stacking energy: -243.219 Base-Backbone interact. energy: -1.071 local terms energy: -360.722439 where: bonds (distance) C4'-P energy: -86.961 bonds (distance) P-C4' energy: -90.881 flat angles C4'-P-C4' energy: -84.422 flat angles P-C4'-P energy: -57.836 tors. eta vs tors. theta energy: -40.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -691.955629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.955629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.955629 (E_RNA) where: Base-Base interactions energy: -365.209 where: short stacking energy: -190.069 Base-Backbone interact. energy: -0.518 local terms energy: -326.227786 where: bonds (distance) C4'-P energy: -80.475 bonds (distance) P-C4' energy: -89.397 flat angles C4'-P-C4' energy: -79.401 flat angles P-C4'-P energy: -51.491 tors. eta vs tors. theta energy: -25.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -595.214501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.214501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.214501 (E_RNA) where: Base-Base interactions energy: -269.673 where: short stacking energy: -199.554 Base-Backbone interact. energy: 0.152 local terms energy: -325.693066 where: bonds (distance) C4'-P energy: -93.703 bonds (distance) P-C4' energy: -81.731 flat angles C4'-P-C4' energy: -74.926 flat angles P-C4'-P energy: -44.100 tors. eta vs tors. theta energy: -31.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -511.073320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.073320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.073320 (E_RNA) where: Base-Base interactions energy: -249.553 where: short stacking energy: -141.819 Base-Backbone interact. energy: 2.484 local terms energy: -264.004665 where: bonds (distance) C4'-P energy: -86.449 bonds (distance) P-C4' energy: -77.030 flat angles C4'-P-C4' energy: -72.539 flat angles P-C4'-P energy: -37.553 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: 10, replica: 7 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -397.390145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.390145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.390145 (E_RNA) where: Base-Base interactions energy: -147.718 where: short stacking energy: -103.844 Base-Backbone interact. energy: 0.392 local terms energy: -250.064078 where: bonds (distance) C4'-P energy: -74.937 bonds (distance) P-C4' energy: -91.116 flat angles C4'-P-C4' energy: -72.159 flat angles P-C4'-P energy: -37.111 tors. eta vs tors. theta energy: 25.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1364.425086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.425086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.425086 (E_RNA) where: Base-Base interactions energy: -873.112 where: short stacking energy: -404.440 Base-Backbone interact. energy: -4.099 local terms energy: -487.213946 where: bonds (distance) C4'-P energy: -105.942 bonds (distance) P-C4' energy: -93.881 flat angles C4'-P-C4' energy: -108.161 flat angles P-C4'-P energy: -70.653 tors. eta vs tors. theta energy: -108.577 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: 5 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1098.324645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.324645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.324645 (E_RNA) where: Base-Base interactions energy: -661.171 where: short stacking energy: -357.228 Base-Backbone interact. energy: 0.296 local terms energy: -437.449598 where: bonds (distance) C4'-P energy: -90.765 bonds (distance) P-C4' energy: -101.716 flat angles C4'-P-C4' energy: -95.361 flat angles P-C4'-P energy: -60.807 tors. eta vs tors. theta energy: -88.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1141.510535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.510535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.510535 (E_RNA) where: Base-Base interactions energy: -725.794 where: short stacking energy: -380.610 Base-Backbone interact. energy: 0.107 local terms energy: -415.823482 where: bonds (distance) C4'-P energy: -81.714 bonds (distance) P-C4' energy: -79.801 flat angles C4'-P-C4' energy: -86.420 flat angles P-C4'-P energy: -69.983 tors. eta vs tors. theta energy: -97.907 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: 26 Temperature: 1.050000 Total energy: -998.385601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.385601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.385601 (E_RNA) where: Base-Base interactions energy: -602.703 where: short stacking energy: -306.012 Base-Backbone interact. energy: -3.965 local terms energy: -391.717899 where: bonds (distance) C4'-P energy: -91.099 bonds (distance) P-C4' energy: -75.644 flat angles C4'-P-C4' energy: -100.073 flat angles P-C4'-P energy: -59.097 tors. eta vs tors. theta energy: -65.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -866.230363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.230363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.230363 (E_RNA) where: Base-Base interactions energy: -520.415 where: short stacking energy: -261.865 Base-Backbone interact. energy: 0.420 local terms energy: -346.235152 where: bonds (distance) C4'-P energy: -77.347 bonds (distance) P-C4' energy: -97.583 flat angles C4'-P-C4' energy: -66.473 flat angles P-C4'-P energy: -50.690 tors. eta vs tors. theta energy: -54.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -840.002098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.002098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.002098 (E_RNA) where: Base-Base interactions energy: -477.180 where: short stacking energy: -257.768 Base-Backbone interact. energy: -1.359 local terms energy: -361.463329 where: bonds (distance) C4'-P energy: -89.180 bonds (distance) P-C4' energy: -79.964 flat angles C4'-P-C4' energy: -82.755 flat angles P-C4'-P energy: -59.008 tors. eta vs tors. theta energy: -50.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -683.730302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.730302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.730302 (E_RNA) where: Base-Base interactions energy: -359.312 where: short stacking energy: -210.535 Base-Backbone interact. energy: -1.365 local terms energy: -323.053266 where: bonds (distance) C4'-P energy: -78.490 bonds (distance) P-C4' energy: -83.178 flat angles C4'-P-C4' energy: -73.672 flat angles P-C4'-P energy: -54.759 tors. eta vs tors. theta energy: -32.954 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: 8, replica: 3 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -588.065927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.065927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.065927 (E_RNA) where: Base-Base interactions energy: -310.072 where: short stacking energy: -162.889 Base-Backbone interact. energy: 0.032 local terms energy: -278.025377 where: bonds (distance) C4'-P energy: -80.356 bonds (distance) P-C4' energy: -83.470 flat angles C4'-P-C4' energy: -68.927 flat angles P-C4'-P energy: -40.365 tors. eta vs tors. theta energy: -4.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -544.581838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.581838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.581838 (E_RNA) where: Base-Base interactions energy: -261.138 where: short stacking energy: -142.140 Base-Backbone interact. energy: 1.049 local terms energy: -284.493482 where: bonds (distance) C4'-P energy: -75.828 bonds (distance) P-C4' energy: -79.864 flat angles C4'-P-C4' energy: -76.071 flat angles P-C4'-P energy: -53.123 tors. eta vs tors. theta energy: 0.393 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: 26 Temperature: 1.350000 Total energy: -373.894856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.894856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.894856 (E_RNA) where: Base-Base interactions energy: -105.761 where: short stacking energy: -93.901 Base-Backbone interact. energy: -0.830 local terms energy: -267.303632 where: bonds (distance) C4'-P energy: -84.022 bonds (distance) P-C4' energy: -92.488 flat angles C4'-P-C4' energy: -66.230 flat angles P-C4'-P energy: -50.890 tors. eta vs tors. theta energy: 26.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1356.632043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.632043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.632043 (E_RNA) where: Base-Base interactions energy: -884.271 where: short stacking energy: -409.096 Base-Backbone interact. energy: -2.729 local terms energy: -469.631784 where: bonds (distance) C4'-P energy: -107.395 bonds (distance) P-C4' energy: -93.223 flat angles C4'-P-C4' energy: -98.165 flat angles P-C4'-P energy: -58.059 tors. eta vs tors. theta energy: -112.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1223.278651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.278651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.278651 (E_RNA) where: Base-Base interactions energy: -758.871 where: short stacking energy: -393.033 Base-Backbone interact. energy: -1.702 local terms energy: -462.705253 where: bonds (distance) C4'-P energy: -91.638 bonds (distance) P-C4' energy: -89.323 flat angles C4'-P-C4' energy: -103.962 flat angles P-C4'-P energy: -67.407 tors. eta vs tors. theta energy: -110.375 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: 5 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1117.151709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.151709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.151709 (E_RNA) where: Base-Base interactions energy: -695.014 where: short stacking energy: -328.455 Base-Backbone interact. energy: 0.849 local terms energy: -422.986864 where: bonds (distance) C4'-P energy: -99.084 bonds (distance) P-C4' energy: -88.226 flat angles C4'-P-C4' energy: -93.464 flat angles P-C4'-P energy: -62.687 tors. eta vs tors. theta energy: -79.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1061.010700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.010700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.010700 (E_RNA) where: Base-Base interactions energy: -656.916 where: short stacking energy: -330.930 Base-Backbone interact. energy: -1.148 local terms energy: -402.946433 where: bonds (distance) C4'-P energy: -98.779 bonds (distance) P-C4' energy: -86.613 flat angles C4'-P-C4' energy: -90.734 flat angles P-C4'-P energy: -48.570 tors. eta vs tors. theta energy: -78.250 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: 5, replica: 1 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -891.914502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.914502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.914502 (E_RNA) where: Base-Base interactions energy: -519.627 where: short stacking energy: -249.060 Base-Backbone interact. energy: -4.136 local terms energy: -368.152373 where: bonds (distance) C4'-P energy: -92.750 bonds (distance) P-C4' energy: -82.794 flat angles C4'-P-C4' energy: -86.282 flat angles P-C4'-P energy: -58.353 tors. eta vs tors. theta energy: -47.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -828.137861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.137861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.137861 (E_RNA) where: Base-Base interactions energy: -495.947 where: short stacking energy: -239.143 Base-Backbone interact. energy: -1.775 local terms energy: -330.416265 where: bonds (distance) C4'-P energy: -82.118 bonds (distance) P-C4' energy: -76.359 flat angles C4'-P-C4' energy: -92.596 flat angles P-C4'-P energy: -36.482 tors. eta vs tors. theta energy: -42.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -818.599395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.599395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.599395 (E_RNA) where: Base-Base interactions energy: -470.813 where: short stacking energy: -257.235 Base-Backbone interact. energy: 0.598 local terms energy: -348.383997 where: bonds (distance) C4'-P energy: -75.209 bonds (distance) P-C4' energy: -87.050 flat angles C4'-P-C4' energy: -94.637 flat angles P-C4'-P energy: -43.458 tors. eta vs tors. theta energy: -48.031 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: 3 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -592.492539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.492539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.492539 (E_RNA) where: Base-Base interactions energy: -293.222 where: short stacking energy: -169.052 Base-Backbone interact. energy: -3.037 local terms energy: -296.232931 where: bonds (distance) C4'-P energy: -65.120 bonds (distance) P-C4' energy: -77.401 flat angles C4'-P-C4' energy: -81.759 flat angles P-C4'-P energy: -51.293 tors. eta vs tors. theta energy: -20.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -542.216542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.216542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.216542 (E_RNA) where: Base-Base interactions energy: -255.399 where: short stacking energy: -169.635 Base-Backbone interact. energy: -2.039 local terms energy: -284.777798 where: bonds (distance) C4'-P energy: -76.380 bonds (distance) P-C4' energy: -84.438 flat angles C4'-P-C4' energy: -71.968 flat angles P-C4'-P energy: -40.981 tors. eta vs tors. theta energy: -11.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -415.276670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.276670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.276670 (E_RNA) where: Base-Base interactions energy: -137.923 where: short stacking energy: -85.021 Base-Backbone interact. energy: -2.319 local terms energy: -275.035128 where: bonds (distance) C4'-P energy: -76.647 bonds (distance) P-C4' energy: -88.289 flat angles C4'-P-C4' energy: -76.702 flat angles P-C4'-P energy: -45.609 tors. eta vs tors. theta energy: 12.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1403.091954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.091954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.091954 (E_RNA) where: Base-Base interactions energy: -922.154 where: short stacking energy: -423.998 Base-Backbone interact. energy: -2.076 local terms energy: -478.862274 where: bonds (distance) C4'-P energy: -94.696 bonds (distance) P-C4' energy: -89.636 flat angles C4'-P-C4' energy: -114.609 flat angles P-C4'-P energy: -72.156 tors. eta vs tors. theta energy: -107.765 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: 2 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1209.282655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.282655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.282655 (E_RNA) where: Base-Base interactions energy: -734.416 where: short stacking energy: -401.275 Base-Backbone interact. energy: -0.992 local terms energy: -473.875143 where: bonds (distance) C4'-P energy: -91.438 bonds (distance) P-C4' energy: -86.562 flat angles C4'-P-C4' energy: -104.229 flat angles P-C4'-P energy: -66.453 tors. eta vs tors. theta energy: -125.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1131.937708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.937708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.937708 (E_RNA) where: Base-Base interactions energy: -695.192 where: short stacking energy: -341.587 Base-Backbone interact. energy: -2.065 local terms energy: -434.680880 where: bonds (distance) C4'-P energy: -86.874 bonds (distance) P-C4' energy: -95.099 flat angles C4'-P-C4' energy: -95.182 flat angles P-C4'-P energy: -59.211 tors. eta vs tors. theta energy: -98.314 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: 28 Temperature: 1.050000 Total energy: -1059.607690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.607690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.607690 (E_RNA) where: Base-Base interactions energy: -655.365 where: short stacking energy: -322.840 Base-Backbone interact. energy: -0.676 local terms energy: -403.566960 where: bonds (distance) C4'-P energy: -78.681 bonds (distance) P-C4' energy: -90.948 flat angles C4'-P-C4' energy: -93.479 flat angles P-C4'-P energy: -65.717 tors. eta vs tors. theta energy: -74.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -867.386802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.386802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.386802 (E_RNA) where: Base-Base interactions energy: -506.114 where: short stacking energy: -263.941 Base-Backbone interact. energy: 3.756 local terms energy: -365.029182 where: bonds (distance) C4'-P energy: -83.961 bonds (distance) P-C4' energy: -77.860 flat angles C4'-P-C4' energy: -96.398 flat angles P-C4'-P energy: -55.587 tors. eta vs tors. theta energy: -51.223 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: 6 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -771.068931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.068931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.068931 (E_RNA) where: Base-Base interactions energy: -436.730 where: short stacking energy: -232.218 Base-Backbone interact. energy: 2.613 local terms energy: -336.951634 where: bonds (distance) C4'-P energy: -75.518 bonds (distance) P-C4' energy: -94.563 flat angles C4'-P-C4' energy: -84.346 flat angles P-C4'-P energy: -45.811 tors. eta vs tors. theta energy: -36.714 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: 8 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -775.826675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.826675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.826675 (E_RNA) where: Base-Base interactions energy: -453.601 where: short stacking energy: -238.866 Base-Backbone interact. energy: 0.142 local terms energy: -322.367111 where: bonds (distance) C4'-P energy: -70.031 bonds (distance) P-C4' energy: -96.457 flat angles C4'-P-C4' energy: -69.638 flat angles P-C4'-P energy: -44.507 tors. eta vs tors. theta energy: -41.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -677.220628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.220628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.220628 (E_RNA) where: Base-Base interactions energy: -371.842 where: short stacking energy: -183.244 Base-Backbone interact. energy: -2.549 local terms energy: -302.829095 where: bonds (distance) C4'-P energy: -71.169 bonds (distance) P-C4' energy: -103.250 flat angles C4'-P-C4' energy: -70.408 flat angles P-C4'-P energy: -35.671 tors. eta vs tors. theta energy: -22.332 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: 28 Temperature: 1.300000 Total energy: -419.869867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.869867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.869867 (E_RNA) where: Base-Base interactions energy: -158.664 where: short stacking energy: -124.750 Base-Backbone interact. energy: -1.841 local terms energy: -259.364939 where: bonds (distance) C4'-P energy: -58.676 bonds (distance) P-C4' energy: -91.088 flat angles C4'-P-C4' energy: -69.597 flat angles P-C4'-P energy: -49.276 tors. eta vs tors. theta energy: 9.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -492.797402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.797402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.797402 (E_RNA) where: Base-Base interactions energy: -218.950 where: short stacking energy: -136.406 Base-Backbone interact. energy: 2.483 local terms energy: -276.330598 where: bonds (distance) C4'-P energy: -67.669 bonds (distance) P-C4' energy: -103.519 flat angles C4'-P-C4' energy: -71.559 flat angles P-C4'-P energy: -39.618 tors. eta vs tors. theta energy: 6.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1384.217814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.217814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.217814 (E_RNA) where: Base-Base interactions energy: -898.359 where: short stacking energy: -419.919 Base-Backbone interact. energy: -2.781 local terms energy: -483.078254 where: bonds (distance) C4'-P energy: -96.980 bonds (distance) P-C4' energy: -93.846 flat angles C4'-P-C4' energy: -105.809 flat angles P-C4'-P energy: -66.463 tors. eta vs tors. theta energy: -119.980 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: 2, replica: 2 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1244.309359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.309359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.309359 (E_RNA) where: Base-Base interactions energy: -759.445 where: short stacking energy: -381.716 Base-Backbone interact. energy: -2.244 local terms energy: -482.620921 where: bonds (distance) C4'-P energy: -99.724 bonds (distance) P-C4' energy: -96.528 flat angles C4'-P-C4' energy: -102.080 flat angles P-C4'-P energy: -70.212 tors. eta vs tors. theta energy: -114.078 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: 5 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1104.938543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.938543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.938543 (E_RNA) where: Base-Base interactions energy: -661.619 where: short stacking energy: -335.587 Base-Backbone interact. energy: -2.369 local terms energy: -440.950753 where: bonds (distance) C4'-P energy: -89.168 bonds (distance) P-C4' energy: -92.540 flat angles C4'-P-C4' energy: -97.193 flat angles P-C4'-P energy: -61.832 tors. eta vs tors. theta energy: -100.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1072.682201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.682201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.682201 (E_RNA) where: Base-Base interactions energy: -685.257 where: short stacking energy: -309.696 Base-Backbone interact. energy: -0.079 local terms energy: -387.346673 where: bonds (distance) C4'-P energy: -87.286 bonds (distance) P-C4' energy: -92.861 flat angles C4'-P-C4' energy: -94.020 flat angles P-C4'-P energy: -39.361 tors. eta vs tors. theta energy: -73.819 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: 1 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -839.128410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.128410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.128410 (E_RNA) where: Base-Base interactions energy: -461.566 where: short stacking energy: -247.665 Base-Backbone interact. energy: -0.337 local terms energy: -377.225775 where: bonds (distance) C4'-P energy: -92.848 bonds (distance) P-C4' energy: -94.309 flat angles C4'-P-C4' energy: -97.297 flat angles P-C4'-P energy: -58.743 tors. eta vs tors. theta energy: -34.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -823.974448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.974448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.974448 (E_RNA) where: Base-Base interactions energy: -495.072 where: short stacking energy: -241.431 Base-Backbone interact. energy: 0.864 local terms energy: -329.766729 where: bonds (distance) C4'-P energy: -78.394 bonds (distance) P-C4' energy: -82.649 flat angles C4'-P-C4' energy: -78.109 flat angles P-C4'-P energy: -53.966 tors. eta vs tors. theta energy: -36.650 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: 29 Temperature: 1.200000 Total energy: -735.597752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.597752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.597752 (E_RNA) where: Base-Base interactions energy: -412.551 where: short stacking energy: -207.138 Base-Backbone interact. energy: -2.798 local terms energy: -320.248332 where: bonds (distance) C4'-P energy: -75.300 bonds (distance) P-C4' energy: -84.296 flat angles C4'-P-C4' energy: -84.443 flat angles P-C4'-P energy: -50.048 tors. eta vs tors. theta energy: -26.162 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: 3 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -701.932853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.932853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.932853 (E_RNA) where: Base-Base interactions energy: -369.111 where: short stacking energy: -202.787 Base-Backbone interact. energy: -1.661 local terms energy: -331.161162 where: bonds (distance) C4'-P energy: -69.144 bonds (distance) P-C4' energy: -94.698 flat angles C4'-P-C4' energy: -83.795 flat angles P-C4'-P energy: -50.698 tors. eta vs tors. theta energy: -32.826 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: 7 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -392.125769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.125769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.125769 (E_RNA) where: Base-Base interactions energy: -132.053 where: short stacking energy: -119.565 Base-Backbone interact. energy: -1.078 local terms energy: -258.993971 where: bonds (distance) C4'-P energy: -68.981 bonds (distance) P-C4' energy: -78.196 flat angles C4'-P-C4' energy: -64.626 flat angles P-C4'-P energy: -58.309 tors. eta vs tors. theta energy: 11.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -518.325649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.325649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.325649 (E_RNA) where: Base-Base interactions energy: -240.936 where: short stacking energy: -135.759 Base-Backbone interact. energy: 4.718 local terms energy: -282.107554 where: bonds (distance) C4'-P energy: -84.122 bonds (distance) P-C4' energy: -84.250 flat angles C4'-P-C4' energy: -80.441 flat angles P-C4'-P energy: -37.156 tors. eta vs tors. theta energy: 3.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1411.034519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.034519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.034519 (E_RNA) where: Base-Base interactions energy: -921.244 where: short stacking energy: -393.722 Base-Backbone interact. energy: -5.350 local terms energy: -484.440529 where: bonds (distance) C4'-P energy: -105.799 bonds (distance) P-C4' energy: -98.579 flat angles C4'-P-C4' energy: -98.170 flat angles P-C4'-P energy: -70.201 tors. eta vs tors. theta energy: -111.691 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: 2 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1260.702419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.702419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.702419 (E_RNA) where: Base-Base interactions energy: -787.935 where: short stacking energy: -389.581 Base-Backbone interact. energy: -1.642 local terms energy: -471.126202 where: bonds (distance) C4'-P energy: -87.801 bonds (distance) P-C4' energy: -89.557 flat angles C4'-P-C4' energy: -114.086 flat angles P-C4'-P energy: -60.591 tors. eta vs tors. theta energy: -119.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1077.932739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.932739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.932739 (E_RNA) where: Base-Base interactions energy: -677.765 where: short stacking energy: -302.354 Base-Backbone interact. energy: -2.108 local terms energy: -398.059019 where: bonds (distance) C4'-P energy: -96.728 bonds (distance) P-C4' energy: -85.452 flat angles C4'-P-C4' energy: -87.356 flat angles P-C4'-P energy: -52.408 tors. eta vs tors. theta energy: -76.115 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: 9 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1068.028276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.028276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.028276 (E_RNA) where: Base-Base interactions energy: -654.300 where: short stacking energy: -294.860 Base-Backbone interact. energy: 0.218 local terms energy: -413.946222 where: bonds (distance) C4'-P energy: -98.252 bonds (distance) P-C4' energy: -98.396 flat angles C4'-P-C4' energy: -96.078 flat angles P-C4'-P energy: -55.136 tors. eta vs tors. theta energy: -66.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -899.168049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.168049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.168049 (E_RNA) where: Base-Base interactions energy: -522.605 where: short stacking energy: -286.728 Base-Backbone interact. energy: 1.402 local terms energy: -377.965144 where: bonds (distance) C4'-P energy: -88.719 bonds (distance) P-C4' energy: -87.759 flat angles C4'-P-C4' energy: -93.993 flat angles P-C4'-P energy: -56.489 tors. eta vs tors. theta energy: -51.005 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: 1 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -781.764998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.764998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.764998 (E_RNA) where: Base-Base interactions energy: -463.996 where: short stacking energy: -237.167 Base-Backbone interact. energy: -0.624 local terms energy: -317.145635 where: bonds (distance) C4'-P energy: -79.553 bonds (distance) P-C4' energy: -85.373 flat angles C4'-P-C4' energy: -71.801 flat angles P-C4'-P energy: -46.427 tors. eta vs tors. theta energy: -33.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -754.812491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.812491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.812491 (E_RNA) where: Base-Base interactions energy: -413.699 where: short stacking energy: -218.288 Base-Backbone interact. energy: 0.345 local terms energy: -341.458832 where: bonds (distance) C4'-P energy: -73.522 bonds (distance) P-C4' energy: -88.392 flat angles C4'-P-C4' energy: -86.337 flat angles P-C4'-P energy: -54.492 tors. eta vs tors. theta energy: -38.715 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: 8, replica: 3 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -594.441894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.441894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.441894 (E_RNA) where: Base-Base interactions energy: -323.814 where: short stacking energy: -168.085 Base-Backbone interact. energy: -0.896 local terms energy: -269.732386 where: bonds (distance) C4'-P energy: -82.820 bonds (distance) P-C4' energy: -79.402 flat angles C4'-P-C4' energy: -68.275 flat angles P-C4'-P energy: -33.795 tors. eta vs tors. theta energy: -5.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -575.320405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.320405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.320405 (E_RNA) where: Base-Base interactions energy: -315.105 where: short stacking energy: -155.799 Base-Backbone interact. energy: -0.441 local terms energy: -259.774377 where: bonds (distance) C4'-P energy: -77.084 bonds (distance) P-C4' energy: -79.797 flat angles C4'-P-C4' energy: -67.482 flat angles P-C4'-P energy: -34.325 tors. eta vs tors. theta energy: -1.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -384.669547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.669547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.669547 (E_RNA) where: Base-Base interactions energy: -137.143 where: short stacking energy: -107.694 Base-Backbone interact. energy: -1.575 local terms energy: -245.951634 where: bonds (distance) C4'-P energy: -76.452 bonds (distance) P-C4' energy: -81.112 flat angles C4'-P-C4' energy: -71.124 flat angles P-C4'-P energy: -23.417 tors. eta vs tors. theta energy: 6.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1417.368182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.368182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.368182 (E_RNA) where: Base-Base interactions energy: -910.598 where: short stacking energy: -418.305 Base-Backbone interact. energy: -3.002 local terms energy: -503.768841 where: bonds (distance) C4'-P energy: -100.873 bonds (distance) P-C4' energy: -106.406 flat angles C4'-P-C4' energy: -103.268 flat angles P-C4'-P energy: -76.842 tors. eta vs tors. theta energy: -116.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1281.248355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.248355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.248355 (E_RNA) where: Base-Base interactions energy: -812.681 where: short stacking energy: -411.405 Base-Backbone interact. energy: -0.590 local terms energy: -467.977559 where: bonds (distance) C4'-P energy: -93.030 bonds (distance) P-C4' energy: -98.430 flat angles C4'-P-C4' energy: -88.214 flat angles P-C4'-P energy: -67.000 tors. eta vs tors. theta energy: -121.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1137.715210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.715210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.715210 (E_RNA) where: Base-Base interactions energy: -716.961 where: short stacking energy: -346.638 Base-Backbone interact. energy: -4.615 local terms energy: -416.139162 where: bonds (distance) C4'-P energy: -93.000 bonds (distance) P-C4' energy: -92.923 flat angles C4'-P-C4' energy: -94.584 flat angles P-C4'-P energy: -58.296 tors. eta vs tors. theta energy: -77.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1022.183406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.183406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.183406 (E_RNA) where: Base-Base interactions energy: -627.395 where: short stacking energy: -319.512 Base-Backbone interact. energy: -2.987 local terms energy: -391.801003 where: bonds (distance) C4'-P energy: -86.368 bonds (distance) P-C4' energy: -83.758 flat angles C4'-P-C4' energy: -93.523 flat angles P-C4'-P energy: -62.477 tors. eta vs tors. theta energy: -65.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -895.256938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.256938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.256938 (E_RNA) where: Base-Base interactions energy: -538.632 where: short stacking energy: -291.666 Base-Backbone interact. energy: -1.707 local terms energy: -354.918738 where: bonds (distance) C4'-P energy: -93.301 bonds (distance) P-C4' energy: -72.455 flat angles C4'-P-C4' energy: -91.281 flat angles P-C4'-P energy: -51.643 tors. eta vs tors. theta energy: -46.240 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: 6 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -799.308224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.308224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.308224 (E_RNA) where: Base-Base interactions energy: -456.800 where: short stacking energy: -244.296 Base-Backbone interact. energy: -2.363 local terms energy: -340.145197 where: bonds (distance) C4'-P energy: -86.308 bonds (distance) P-C4' energy: -80.649 flat angles C4'-P-C4' energy: -81.253 flat angles P-C4'-P energy: -54.029 tors. eta vs tors. theta energy: -37.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -735.194750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.194750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.194750 (E_RNA) where: Base-Base interactions energy: -405.416 where: short stacking energy: -238.898 Base-Backbone interact. energy: 1.347 local terms energy: -331.125551 where: bonds (distance) C4'-P energy: -77.427 bonds (distance) P-C4' energy: -74.980 flat angles C4'-P-C4' energy: -87.718 flat angles P-C4'-P energy: -46.525 tors. eta vs tors. theta energy: -44.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -625.277247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.277247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.277247 (E_RNA) where: Base-Base interactions energy: -334.998 where: short stacking energy: -206.918 Base-Backbone interact. energy: 5.903 local terms energy: -296.182846 where: bonds (distance) C4'-P energy: -63.280 bonds (distance) P-C4' energy: -87.178 flat angles C4'-P-C4' energy: -75.456 flat angles P-C4'-P energy: -49.089 tors. eta vs tors. theta energy: -21.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -524.978571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.978571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.978571 (E_RNA) where: Base-Base interactions energy: -254.426 where: short stacking energy: -155.030 Base-Backbone interact. energy: 1.664 local terms energy: -272.216559 where: bonds (distance) C4'-P energy: -73.228 bonds (distance) P-C4' energy: -76.464 flat angles C4'-P-C4' energy: -68.437 flat angles P-C4'-P energy: -50.114 tors. eta vs tors. theta energy: -3.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -354.657875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.657875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.657875 (E_RNA) where: Base-Base interactions energy: -134.006 where: short stacking energy: -123.994 Base-Backbone interact. energy: 7.102 local terms energy: -227.753920 where: bonds (distance) C4'-P energy: -58.906 bonds (distance) P-C4' energy: -82.664 flat angles C4'-P-C4' energy: -72.536 flat angles P-C4'-P energy: -38.228 tors. eta vs tors. theta energy: 24.581 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: 1, replica: 10 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1379.620190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.620190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.620190 (E_RNA) where: Base-Base interactions energy: -891.416 where: short stacking energy: -426.595 Base-Backbone interact. energy: -0.920 local terms energy: -487.284299 where: bonds (distance) C4'-P energy: -94.484 bonds (distance) P-C4' energy: -100.585 flat angles C4'-P-C4' energy: -107.860 flat angles P-C4'-P energy: -67.002 tors. eta vs tors. theta energy: -117.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1235.771880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.771880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.771880 (E_RNA) where: Base-Base interactions energy: -786.891 where: short stacking energy: -371.375 Base-Backbone interact. energy: -0.770 local terms energy: -448.111051 where: bonds (distance) C4'-P energy: -88.126 bonds (distance) P-C4' energy: -93.037 flat angles C4'-P-C4' energy: -98.113 flat angles P-C4'-P energy: -62.182 tors. eta vs tors. theta energy: -106.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1182.449124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.449124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.449124 (E_RNA) where: Base-Base interactions energy: -717.321 where: short stacking energy: -381.762 Base-Backbone interact. energy: -0.845 local terms energy: -464.283236 where: bonds (distance) C4'-P energy: -93.270 bonds (distance) P-C4' energy: -83.304 flat angles C4'-P-C4' energy: -112.168 flat angles P-C4'-P energy: -60.958 tors. eta vs tors. theta energy: -114.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1010.763536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.763536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.763536 (E_RNA) where: Base-Base interactions energy: -606.331 where: short stacking energy: -309.599 Base-Backbone interact. energy: 4.046 local terms energy: -408.478360 where: bonds (distance) C4'-P energy: -93.263 bonds (distance) P-C4' energy: -81.998 flat angles C4'-P-C4' energy: -94.606 flat angles P-C4'-P energy: -66.758 tors. eta vs tors. theta energy: -71.853 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: 8 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -873.650339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.650339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.650339 (E_RNA) where: Base-Base interactions energy: -510.433 where: short stacking energy: -268.334 Base-Backbone interact. energy: 1.056 local terms energy: -364.273023 where: bonds (distance) C4'-P energy: -83.375 bonds (distance) P-C4' energy: -81.377 flat angles C4'-P-C4' energy: -95.776 flat angles P-C4'-P energy: -63.590 tors. eta vs tors. theta energy: -40.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -822.796200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.796200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.796200 (E_RNA) where: Base-Base interactions energy: -484.310 where: short stacking energy: -247.347 Base-Backbone interact. energy: -3.515 local terms energy: -334.971589 where: bonds (distance) C4'-P energy: -83.895 bonds (distance) P-C4' energy: -82.289 flat angles C4'-P-C4' energy: -75.661 flat angles P-C4'-P energy: -47.573 tors. eta vs tors. theta energy: -45.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -705.885674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.885674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.885674 (E_RNA) where: Base-Base interactions energy: -351.749 where: short stacking energy: -208.350 Base-Backbone interact. energy: -0.244 local terms energy: -353.893463 where: bonds (distance) C4'-P energy: -89.107 bonds (distance) P-C4' energy: -97.852 flat angles C4'-P-C4' energy: -82.249 flat angles P-C4'-P energy: -53.386 tors. eta vs tors. theta energy: -31.299 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: 1 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -622.833641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.833641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.833641 (E_RNA) where: Base-Base interactions energy: -320.489 where: short stacking energy: -193.840 Base-Backbone interact. energy: -2.163 local terms energy: -300.181803 where: bonds (distance) C4'-P energy: -72.248 bonds (distance) P-C4' energy: -94.688 flat angles C4'-P-C4' energy: -68.778 flat angles P-C4'-P energy: -52.407 tors. eta vs tors. theta energy: -12.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -512.186945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.186945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.186945 (E_RNA) where: Base-Base interactions energy: -226.016 where: short stacking energy: -151.324 Base-Backbone interact. energy: -1.690 local terms energy: -284.481013 where: bonds (distance) C4'-P energy: -65.396 bonds (distance) P-C4' energy: -80.817 flat angles C4'-P-C4' energy: -81.907 flat angles P-C4'-P energy: -32.658 tors. eta vs tors. theta energy: -23.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -370.821751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.821751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.821751 (E_RNA) where: Base-Base interactions energy: -149.042 where: short stacking energy: -131.634 Base-Backbone interact. energy: 1.938 local terms energy: -223.717930 where: bonds (distance) C4'-P energy: -64.470 bonds (distance) P-C4' energy: -70.002 flat angles C4'-P-C4' energy: -58.788 flat angles P-C4'-P energy: -40.317 tors. eta vs tors. theta energy: 9.860 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: 10 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1422.044444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.044444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.044444 (E_RNA) where: Base-Base interactions energy: -928.945 where: short stacking energy: -417.764 Base-Backbone interact. energy: -6.659 local terms energy: -486.440461 where: bonds (distance) C4'-P energy: -100.480 bonds (distance) P-C4' energy: -102.469 flat angles C4'-P-C4' energy: -93.602 flat angles P-C4'-P energy: -73.818 tors. eta vs tors. theta energy: -116.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1205.762153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.762153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.762153 (E_RNA) where: Base-Base interactions energy: -758.802 where: short stacking energy: -382.421 Base-Backbone interact. energy: -1.825 local terms energy: -445.135684 where: bonds (distance) C4'-P energy: -87.650 bonds (distance) P-C4' energy: -92.537 flat angles C4'-P-C4' energy: -93.075 flat angles P-C4'-P energy: -65.971 tors. eta vs tors. theta energy: -105.902 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: 33 Temperature: 1.000000 Total energy: -1192.263551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.263551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.263551 (E_RNA) where: Base-Base interactions energy: -740.554 where: short stacking energy: -365.253 Base-Backbone interact. energy: -3.177 local terms energy: -448.532879 where: bonds (distance) C4'-P energy: -100.537 bonds (distance) P-C4' energy: -86.895 flat angles C4'-P-C4' energy: -98.340 flat angles P-C4'-P energy: -62.090 tors. eta vs tors. theta energy: -100.670 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: 9 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -988.756510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.756510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.756510 (E_RNA) where: Base-Base interactions energy: -585.501 where: short stacking energy: -288.937 Base-Backbone interact. energy: -3.956 local terms energy: -399.300294 where: bonds (distance) C4'-P energy: -97.695 bonds (distance) P-C4' energy: -87.013 flat angles C4'-P-C4' energy: -90.883 flat angles P-C4'-P energy: -58.524 tors. eta vs tors. theta energy: -65.185 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: 8 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -848.312465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.312465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.312465 (E_RNA) where: Base-Base interactions energy: -483.330 where: short stacking energy: -242.033 Base-Backbone interact. energy: 4.854 local terms energy: -369.836585 where: bonds (distance) C4'-P energy: -98.900 bonds (distance) P-C4' energy: -82.401 flat angles C4'-P-C4' energy: -86.475 flat angles P-C4'-P energy: -63.016 tors. eta vs tors. theta energy: -39.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -832.226455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.226455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.226455 (E_RNA) where: Base-Base interactions energy: -495.123 where: short stacking energy: -228.692 Base-Backbone interact. energy: -2.191 local terms energy: -334.913052 where: bonds (distance) C4'-P energy: -73.340 bonds (distance) P-C4' energy: -84.929 flat angles C4'-P-C4' energy: -93.649 flat angles P-C4'-P energy: -55.890 tors. eta vs tors. theta energy: -27.105 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: 4 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -707.835649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.835649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.835649 (E_RNA) where: Base-Base interactions energy: -352.648 where: short stacking energy: -201.933 Base-Backbone interact. energy: -1.870 local terms energy: -353.317390 where: bonds (distance) C4'-P energy: -74.663 bonds (distance) P-C4' energy: -92.942 flat angles C4'-P-C4' energy: -86.633 flat angles P-C4'-P energy: -60.450 tors. eta vs tors. theta energy: -38.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -602.967091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.967091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.967091 (E_RNA) where: Base-Base interactions energy: -294.289 where: short stacking energy: -180.628 Base-Backbone interact. energy: -2.066 local terms energy: -306.612030 where: bonds (distance) C4'-P energy: -81.170 bonds (distance) P-C4' energy: -84.098 flat angles C4'-P-C4' energy: -67.710 flat angles P-C4'-P energy: -51.465 tors. eta vs tors. theta energy: -22.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -394.300502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.300502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.300502 (E_RNA) where: Base-Base interactions energy: -127.790 where: short stacking energy: -114.107 Base-Backbone interact. energy: -0.896 local terms energy: -265.615303 where: bonds (distance) C4'-P energy: -87.416 bonds (distance) P-C4' energy: -80.483 flat angles C4'-P-C4' energy: -71.785 flat angles P-C4'-P energy: -41.038 tors. eta vs tors. theta energy: 15.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -371.068650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.068650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.068650 (E_RNA) where: Base-Base interactions energy: -121.206 where: short stacking energy: -116.087 Base-Backbone interact. energy: -1.027 local terms energy: -248.835651 where: bonds (distance) C4'-P energy: -67.608 bonds (distance) P-C4' energy: -81.557 flat angles C4'-P-C4' energy: -66.824 flat angles P-C4'-P energy: -35.150 tors. eta vs tors. theta energy: 2.303 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: 10 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1408.645744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.645744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.645744 (E_RNA) where: Base-Base interactions energy: -951.334 where: short stacking energy: -414.987 Base-Backbone interact. energy: -3.355 local terms energy: -453.956715 where: bonds (distance) C4'-P energy: -79.691 bonds (distance) P-C4' energy: -97.913 flat angles C4'-P-C4' energy: -92.852 flat angles P-C4'-P energy: -69.248 tors. eta vs tors. theta energy: -114.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1220.045272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.045272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.045272 (E_RNA) where: Base-Base interactions energy: -781.010 where: short stacking energy: -403.237 Base-Backbone interact. energy: -0.970 local terms energy: -438.064789 where: bonds (distance) C4'-P energy: -81.218 bonds (distance) P-C4' energy: -88.198 flat angles C4'-P-C4' energy: -91.094 flat angles P-C4'-P energy: -70.058 tors. eta vs tors. theta energy: -107.497 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: 5 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1128.825227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.825227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.825227 (E_RNA) where: Base-Base interactions energy: -722.966 where: short stacking energy: -338.220 Base-Backbone interact. energy: -2.420 local terms energy: -403.438926 where: bonds (distance) C4'-P energy: -92.559 bonds (distance) P-C4' energy: -93.295 flat angles C4'-P-C4' energy: -95.299 flat angles P-C4'-P energy: -39.135 tors. eta vs tors. theta energy: -83.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -976.434043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.434043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.434043 (E_RNA) where: Base-Base interactions energy: -599.247 where: short stacking energy: -308.264 Base-Backbone interact. energy: -1.418 local terms energy: -375.769483 where: bonds (distance) C4'-P energy: -91.307 bonds (distance) P-C4' energy: -93.068 flat angles C4'-P-C4' energy: -83.260 flat angles P-C4'-P energy: -50.875 tors. eta vs tors. theta energy: -57.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -910.864808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.864808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.864808 (E_RNA) where: Base-Base interactions energy: -532.464 where: short stacking energy: -277.258 Base-Backbone interact. energy: -0.125 local terms energy: -378.275229 where: bonds (distance) C4'-P energy: -85.622 bonds (distance) P-C4' energy: -92.374 flat angles C4'-P-C4' energy: -94.495 flat angles P-C4'-P energy: -55.191 tors. eta vs tors. theta energy: -50.593 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: 6 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -820.735228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.735228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.735228 (E_RNA) where: Base-Base interactions energy: -492.590 where: short stacking energy: -251.919 Base-Backbone interact. energy: -2.335 local terms energy: -325.810432 where: bonds (distance) C4'-P energy: -70.825 bonds (distance) P-C4' energy: -82.847 flat angles C4'-P-C4' energy: -75.582 flat angles P-C4'-P energy: -52.421 tors. eta vs tors. theta energy: -44.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -734.060931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.060931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.060931 (E_RNA) where: Base-Base interactions energy: -399.374 where: short stacking energy: -216.284 Base-Backbone interact. energy: -2.285 local terms energy: -332.402075 where: bonds (distance) C4'-P energy: -65.894 bonds (distance) P-C4' energy: -81.271 flat angles C4'-P-C4' energy: -76.164 flat angles P-C4'-P energy: -66.261 tors. eta vs tors. theta energy: -42.813 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: 1 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -542.060531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.060531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.060531 (E_RNA) where: Base-Base interactions energy: -271.648 where: short stacking energy: -152.615 Base-Backbone interact. energy: -0.838 local terms energy: -269.574362 where: bonds (distance) C4'-P energy: -66.455 bonds (distance) P-C4' energy: -92.128 flat angles C4'-P-C4' energy: -73.651 flat angles P-C4'-P energy: -36.500 tors. eta vs tors. theta energy: -0.841 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: 3 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -448.134261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.134261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.134261 (E_RNA) where: Base-Base interactions energy: -156.954 where: short stacking energy: -109.104 Base-Backbone interact. energy: 0.176 local terms energy: -291.356215 where: bonds (distance) C4'-P energy: -89.251 bonds (distance) P-C4' energy: -89.451 flat angles C4'-P-C4' energy: -82.089 flat angles P-C4'-P energy: -49.288 tors. eta vs tors. theta energy: 18.723 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: 34 Temperature: 1.350000 Total energy: -383.867086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.867086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.867086 (E_RNA) where: Base-Base interactions energy: -161.843 where: short stacking energy: -114.382 Base-Backbone interact. energy: -1.859 local terms energy: -220.164905 where: bonds (distance) C4'-P energy: -61.835 bonds (distance) P-C4' energy: -86.843 flat angles C4'-P-C4' energy: -47.871 flat angles P-C4'-P energy: -36.969 tors. eta vs tors. theta energy: 13.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1380.667339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.667339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.667339 (E_RNA) where: Base-Base interactions energy: -932.545 where: short stacking energy: -412.350 Base-Backbone interact. energy: -6.175 local terms energy: -441.948315 where: bonds (distance) C4'-P energy: -99.083 bonds (distance) P-C4' energy: -94.070 flat angles C4'-P-C4' energy: -93.063 flat angles P-C4'-P energy: -55.172 tors. eta vs tors. theta energy: -100.561 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: 2 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1239.747971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.747971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.747971 (E_RNA) where: Base-Base interactions energy: -791.327 where: short stacking energy: -404.599 Base-Backbone interact. energy: -1.530 local terms energy: -446.890872 where: bonds (distance) C4'-P energy: -95.091 bonds (distance) P-C4' energy: -86.697 flat angles C4'-P-C4' energy: -97.810 flat angles P-C4'-P energy: -61.323 tors. eta vs tors. theta energy: -105.969 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: 35 Temperature: 1.000000 Total energy: -1138.718995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.718995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.718995 (E_RNA) where: Base-Base interactions energy: -683.782 where: short stacking energy: -331.234 Base-Backbone interact. energy: -3.408 local terms energy: -451.528836 where: bonds (distance) C4'-P energy: -91.056 bonds (distance) P-C4' energy: -104.224 flat angles C4'-P-C4' energy: -97.006 flat angles P-C4'-P energy: -66.818 tors. eta vs tors. theta energy: -92.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1039.641783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.641783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.641783 (E_RNA) where: Base-Base interactions energy: -616.267 where: short stacking energy: -333.100 Base-Backbone interact. energy: 0.326 local terms energy: -423.700470 where: bonds (distance) C4'-P energy: -87.505 bonds (distance) P-C4' energy: -88.484 flat angles C4'-P-C4' energy: -90.316 flat angles P-C4'-P energy: -75.701 tors. eta vs tors. theta energy: -81.695 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: 8 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -926.643440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.643440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.643440 (E_RNA) where: Base-Base interactions energy: -549.936 where: short stacking energy: -253.271 Base-Backbone interact. energy: -0.957 local terms energy: -375.750384 where: bonds (distance) C4'-P energy: -80.297 bonds (distance) P-C4' energy: -100.294 flat angles C4'-P-C4' energy: -78.533 flat angles P-C4'-P energy: -58.014 tors. eta vs tors. theta energy: -58.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -847.374471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.374471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.374471 (E_RNA) where: Base-Base interactions energy: -499.192 where: short stacking energy: -248.023 Base-Backbone interact. energy: 0.908 local terms energy: -349.090511 where: bonds (distance) C4'-P energy: -90.765 bonds (distance) P-C4' energy: -88.890 flat angles C4'-P-C4' energy: -85.407 flat angles P-C4'-P energy: -50.743 tors. eta vs tors. theta energy: -33.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -716.580792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.580792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.580792 (E_RNA) where: Base-Base interactions energy: -409.425 where: short stacking energy: -217.540 Base-Backbone interact. energy: 0.046 local terms energy: -307.201960 where: bonds (distance) C4'-P energy: -67.491 bonds (distance) P-C4' energy: -86.898 flat angles C4'-P-C4' energy: -77.353 flat angles P-C4'-P energy: -46.931 tors. eta vs tors. theta energy: -28.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -500.707146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.707146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.707146 (E_RNA) where: Base-Base interactions energy: -212.267 where: short stacking energy: -136.938 Base-Backbone interact. energy: 1.798 local terms energy: -290.238202 where: bonds (distance) C4'-P energy: -91.604 bonds (distance) P-C4' energy: -85.213 flat angles C4'-P-C4' energy: -82.297 flat angles P-C4'-P energy: -41.479 tors. eta vs tors. theta energy: 10.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -403.000716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.000716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.000716 (E_RNA) where: Base-Base interactions energy: -151.068 where: short stacking energy: -126.302 Base-Backbone interact. energy: 2.045 local terms energy: -253.977663 where: bonds (distance) C4'-P energy: -70.075 bonds (distance) P-C4' energy: -87.530 flat angles C4'-P-C4' energy: -60.079 flat angles P-C4'-P energy: -42.748 tors. eta vs tors. theta energy: 6.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -443.187131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.187131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.187131 (E_RNA) where: Base-Base interactions energy: -212.596 where: short stacking energy: -149.807 Base-Backbone interact. energy: 1.062 local terms energy: -231.652804 where: bonds (distance) C4'-P energy: -87.011 bonds (distance) P-C4' energy: -69.868 flat angles C4'-P-C4' energy: -59.431 flat angles P-C4'-P energy: -21.601 tors. eta vs tors. theta energy: 6.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1380.933179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.933179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.933179 (E_RNA) where: Base-Base interactions energy: -897.718 where: short stacking energy: -399.643 Base-Backbone interact. energy: -2.627 local terms energy: -480.588311 where: bonds (distance) C4'-P energy: -89.325 bonds (distance) P-C4' energy: -107.266 flat angles C4'-P-C4' energy: -104.667 flat angles P-C4'-P energy: -71.772 tors. eta vs tors. theta energy: -107.557 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: 2, replica: 2 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1247.239395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.239395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.239395 (E_RNA) where: Base-Base interactions energy: -795.551 where: short stacking energy: -388.762 Base-Backbone interact. energy: -1.500 local terms energy: -450.188850 where: bonds (distance) C4'-P energy: -89.642 bonds (distance) P-C4' energy: -97.313 flat angles C4'-P-C4' energy: -93.484 flat angles P-C4'-P energy: -62.923 tors. eta vs tors. theta energy: -106.827 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: 5 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1120.217062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.217062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.217062 (E_RNA) where: Base-Base interactions energy: -698.658 where: short stacking energy: -320.246 Base-Backbone interact. energy: -1.141 local terms energy: -420.418132 where: bonds (distance) C4'-P energy: -88.515 bonds (distance) P-C4' energy: -85.532 flat angles C4'-P-C4' energy: -90.051 flat angles P-C4'-P energy: -66.509 tors. eta vs tors. theta energy: -89.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1041.789380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.789380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.789380 (E_RNA) where: Base-Base interactions energy: -637.208 where: short stacking energy: -325.021 Base-Backbone interact. energy: -0.871 local terms energy: -403.711129 where: bonds (distance) C4'-P energy: -93.336 bonds (distance) P-C4' energy: -83.942 flat angles C4'-P-C4' energy: -95.606 flat angles P-C4'-P energy: -52.672 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: 5, replica: 8 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -881.540471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.540471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.540471 (E_RNA) where: Base-Base interactions energy: -495.780 where: short stacking energy: -252.412 Base-Backbone interact. energy: -2.095 local terms energy: -383.664868 where: bonds (distance) C4'-P energy: -93.691 bonds (distance) P-C4' energy: -89.876 flat angles C4'-P-C4' energy: -88.154 flat angles P-C4'-P energy: -58.467 tors. eta vs tors. theta energy: -53.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -760.734453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.734453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.734453 (E_RNA) where: Base-Base interactions energy: -416.976 where: short stacking energy: -228.113 Base-Backbone interact. energy: 1.335 local terms energy: -345.093301 where: bonds (distance) C4'-P energy: -75.065 bonds (distance) P-C4' energy: -88.334 flat angles C4'-P-C4' energy: -90.112 flat angles P-C4'-P energy: -48.802 tors. eta vs tors. theta energy: -42.780 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: 4 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -767.667746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.667746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.667746 (E_RNA) where: Base-Base interactions energy: -428.033 where: short stacking energy: -222.483 Base-Backbone interact. energy: 1.350 local terms energy: -340.985671 where: bonds (distance) C4'-P energy: -89.467 bonds (distance) P-C4' energy: -84.255 flat angles C4'-P-C4' energy: -78.375 flat angles P-C4'-P energy: -56.187 tors. eta vs tors. theta energy: -32.702 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: 1 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -538.912935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.912935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.912935 (E_RNA) where: Base-Base interactions energy: -281.197 where: short stacking energy: -174.567 Base-Backbone interact. energy: 3.590 local terms energy: -261.306441 where: bonds (distance) C4'-P energy: -77.298 bonds (distance) P-C4' energy: -78.509 flat angles C4'-P-C4' energy: -62.053 flat angles P-C4'-P energy: -42.113 tors. eta vs tors. theta energy: -1.333 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: 7 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -460.670400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.670400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.670400 (E_RNA) where: Base-Base interactions energy: -190.305 where: short stacking energy: -132.096 Base-Backbone interact. energy: -0.575 local terms energy: -269.790632 where: bonds (distance) C4'-P energy: -85.750 bonds (distance) P-C4' energy: -88.517 flat angles C4'-P-C4' energy: -52.953 flat angles P-C4'-P energy: -48.523 tors. eta vs tors. theta energy: 5.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -383.967096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.967096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.967096 (E_RNA) where: Base-Base interactions energy: -136.187 where: short stacking energy: -117.398 Base-Backbone interact. energy: 1.085 local terms energy: -248.865123 where: bonds (distance) C4'-P energy: -91.907 bonds (distance) P-C4' energy: -82.745 flat angles C4'-P-C4' energy: -60.206 flat angles P-C4'-P energy: -23.557 tors. eta vs tors. theta energy: 9.550 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: 10 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1404.105308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.105308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.105308 (E_RNA) where: Base-Base interactions energy: -915.939 where: short stacking energy: -412.736 Base-Backbone interact. energy: -4.961 local terms energy: -483.204842 where: bonds (distance) C4'-P energy: -107.157 bonds (distance) P-C4' energy: -98.506 flat angles C4'-P-C4' energy: -109.472 flat angles P-C4'-P energy: -63.754 tors. eta vs tors. theta energy: -104.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1258.815434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.815434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.815434 (E_RNA) where: Base-Base interactions energy: -809.114 where: short stacking energy: -403.965 Base-Backbone interact. energy: -0.934 local terms energy: -448.767116 where: bonds (distance) C4'-P energy: -97.277 bonds (distance) P-C4' energy: -85.483 flat angles C4'-P-C4' energy: -92.911 flat angles P-C4'-P energy: -60.751 tors. eta vs tors. theta energy: -112.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1159.910726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.910726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.910726 (E_RNA) where: Base-Base interactions energy: -705.775 where: short stacking energy: -357.091 Base-Backbone interact. energy: -0.907 local terms energy: -453.228083 where: bonds (distance) C4'-P energy: -86.533 bonds (distance) P-C4' energy: -92.717 flat angles C4'-P-C4' energy: -109.721 flat angles P-C4'-P energy: -66.774 tors. eta vs tors. theta energy: -97.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1041.594861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.594861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.594861 (E_RNA) where: Base-Base interactions energy: -619.826 where: short stacking energy: -322.050 Base-Backbone interact. energy: 1.916 local terms energy: -423.684511 where: bonds (distance) C4'-P energy: -103.334 bonds (distance) P-C4' energy: -102.190 flat angles C4'-P-C4' energy: -82.354 flat angles P-C4'-P energy: -54.869 tors. eta vs tors. theta energy: -80.937 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: 37 Temperature: 1.100000 Total energy: -879.405778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.405778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.405778 (E_RNA) where: Base-Base interactions energy: -488.960 where: short stacking energy: -248.761 Base-Backbone interact. energy: 2.370 local terms energy: -392.816372 where: bonds (distance) C4'-P energy: -98.582 bonds (distance) P-C4' energy: -87.527 flat angles C4'-P-C4' energy: -100.741 flat angles P-C4'-P energy: -55.590 tors. eta vs tors. theta energy: -50.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -820.462346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.462346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.462346 (E_RNA) where: Base-Base interactions energy: -487.413 where: short stacking energy: -228.165 Base-Backbone interact. energy: 2.116 local terms energy: -335.165655 where: bonds (distance) C4'-P energy: -84.248 bonds (distance) P-C4' energy: -94.116 flat angles C4'-P-C4' energy: -79.569 flat angles P-C4'-P energy: -44.674 tors. eta vs tors. theta energy: -32.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -739.433886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.433886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.433886 (E_RNA) where: Base-Base interactions energy: -426.423 where: short stacking energy: -230.037 Base-Backbone interact. energy: -2.687 local terms energy: -310.323585 where: bonds (distance) C4'-P energy: -86.389 bonds (distance) P-C4' energy: -76.595 flat angles C4'-P-C4' energy: -60.378 flat angles P-C4'-P energy: -44.065 tors. eta vs tors. theta energy: -42.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -559.331411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.331411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.331411 (E_RNA) where: Base-Base interactions energy: -281.723 where: short stacking energy: -171.161 Base-Backbone interact. energy: 2.194 local terms energy: -279.802833 where: bonds (distance) C4'-P energy: -55.873 bonds (distance) P-C4' energy: -82.982 flat angles C4'-P-C4' energy: -76.687 flat angles P-C4'-P energy: -53.892 tors. eta vs tors. theta energy: -10.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -448.278216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.278216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.278216 (E_RNA) where: Base-Base interactions energy: -173.408 where: short stacking energy: -129.282 Base-Backbone interact. energy: 2.051 local terms energy: -276.920979 where: bonds (distance) C4'-P energy: -82.678 bonds (distance) P-C4' energy: -90.266 flat angles C4'-P-C4' energy: -58.297 flat angles P-C4'-P energy: -56.129 tors. eta vs tors. theta energy: 10.449 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: 3 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -381.535157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.535157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.535157 (E_RNA) where: Base-Base interactions energy: -128.805 where: short stacking energy: -104.662 Base-Backbone interact. energy: 1.339 local terms energy: -254.068841 where: bonds (distance) C4'-P energy: -81.355 bonds (distance) P-C4' energy: -81.709 flat angles C4'-P-C4' energy: -67.913 flat angles P-C4'-P energy: -35.332 tors. eta vs tors. theta energy: 12.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1388.979255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.979255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.979255 (E_RNA) where: Base-Base interactions energy: -925.588 where: short stacking energy: -404.104 Base-Backbone interact. energy: -1.653 local terms energy: -461.738142 where: bonds (distance) C4'-P energy: -93.556 bonds (distance) P-C4' energy: -88.310 flat angles C4'-P-C4' energy: -111.701 flat angles P-C4'-P energy: -76.036 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: 2, replica: 2 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1260.125890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.125890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.125890 (E_RNA) where: Base-Base interactions energy: -831.150 where: short stacking energy: -382.952 Base-Backbone interact. energy: -1.583 local terms energy: -427.392688 where: bonds (distance) C4'-P energy: -87.528 bonds (distance) P-C4' energy: -84.382 flat angles C4'-P-C4' energy: -102.926 flat angles P-C4'-P energy: -49.529 tors. eta vs tors. theta energy: -103.029 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: 5 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1152.213649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.213649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.213649 (E_RNA) where: Base-Base interactions energy: -701.747 where: short stacking energy: -361.995 Base-Backbone interact. energy: -1.334 local terms energy: -449.132904 where: bonds (distance) C4'-P energy: -87.034 bonds (distance) P-C4' energy: -94.022 flat angles C4'-P-C4' energy: -101.809 flat angles P-C4'-P energy: -62.021 tors. eta vs tors. theta energy: -104.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1051.066599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.066599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.066599 (E_RNA) where: Base-Base interactions energy: -664.762 where: short stacking energy: -344.220 Base-Backbone interact. energy: 3.660 local terms energy: -389.965026 where: bonds (distance) C4'-P energy: -68.490 bonds (distance) P-C4' energy: -97.444 flat angles C4'-P-C4' energy: -89.064 flat angles P-C4'-P energy: -54.289 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: 5, replica: 8 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -901.710032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.710032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.710032 (E_RNA) where: Base-Base interactions energy: -510.192 where: short stacking energy: -259.398 Base-Backbone interact. energy: 0.824 local terms energy: -392.341864 where: bonds (distance) C4'-P energy: -99.045 bonds (distance) P-C4' energy: -96.567 flat angles C4'-P-C4' energy: -86.504 flat angles P-C4'-P energy: -48.037 tors. eta vs tors. theta energy: -62.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -855.499460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.499460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.499460 (E_RNA) where: Base-Base interactions energy: -502.797 where: short stacking energy: -253.166 Base-Backbone interact. energy: 0.919 local terms energy: -353.621891 where: bonds (distance) C4'-P energy: -83.270 bonds (distance) P-C4' energy: -82.064 flat angles C4'-P-C4' energy: -76.408 flat angles P-C4'-P energy: -60.425 tors. eta vs tors. theta energy: -51.455 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: 4 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -729.902196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.902196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.902196 (E_RNA) where: Base-Base interactions energy: -410.137 where: short stacking energy: -188.907 Base-Backbone interact. energy: -1.576 local terms energy: -318.189907 where: bonds (distance) C4'-P energy: -84.541 bonds (distance) P-C4' energy: -84.469 flat angles C4'-P-C4' energy: -89.519 flat angles P-C4'-P energy: -37.576 tors. eta vs tors. theta energy: -22.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -546.969601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.969601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.969601 (E_RNA) where: Base-Base interactions energy: -268.703 where: short stacking energy: -146.069 Base-Backbone interact. energy: 1.233 local terms energy: -279.499271 where: bonds (distance) C4'-P energy: -81.686 bonds (distance) P-C4' energy: -88.812 flat angles C4'-P-C4' energy: -74.701 flat angles P-C4'-P energy: -48.394 tors. eta vs tors. theta energy: 14.094 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: 9, replica: 7 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -464.101970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.101970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.101970 (E_RNA) where: Base-Base interactions energy: -206.342 where: short stacking energy: -133.316 Base-Backbone interact. energy: -0.892 local terms energy: -256.867744 where: bonds (distance) C4'-P energy: -82.165 bonds (distance) P-C4' energy: -73.589 flat angles C4'-P-C4' energy: -77.104 flat angles P-C4'-P energy: -28.336 tors. eta vs tors. theta energy: 4.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -370.113614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.113614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.113614 (E_RNA) where: Base-Base interactions energy: -133.348 where: short stacking energy: -120.737 Base-Backbone interact. energy: -0.242 local terms energy: -236.523257 where: bonds (distance) C4'-P energy: -74.076 bonds (distance) P-C4' energy: -73.532 flat angles C4'-P-C4' energy: -64.622 flat angles P-C4'-P energy: -34.083 tors. eta vs tors. theta energy: 9.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1387.749677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.749677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.749677 (E_RNA) where: Base-Base interactions energy: -914.391 where: short stacking energy: -400.860 Base-Backbone interact. energy: -2.890 local terms energy: -470.468404 where: bonds (distance) C4'-P energy: -94.490 bonds (distance) P-C4' energy: -90.506 flat angles C4'-P-C4' energy: -105.531 flat angles P-C4'-P energy: -68.826 tors. eta vs tors. theta energy: -111.116 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: 2 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1313.501553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.501553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.501553 (E_RNA) where: Base-Base interactions energy: -832.954 where: short stacking energy: -397.879 Base-Backbone interact. energy: -0.909 local terms energy: -479.638312 where: bonds (distance) C4'-P energy: -95.772 bonds (distance) P-C4' energy: -98.012 flat angles C4'-P-C4' energy: -103.686 flat angles P-C4'-P energy: -67.190 tors. eta vs tors. theta energy: -114.978 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: 5 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1147.519644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.519644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.519644 (E_RNA) where: Base-Base interactions energy: -711.491 where: short stacking energy: -341.446 Base-Backbone interact. energy: 0.334 local terms energy: -436.361786 where: bonds (distance) C4'-P energy: -103.140 bonds (distance) P-C4' energy: -96.635 flat angles C4'-P-C4' energy: -78.341 flat angles P-C4'-P energy: -64.001 tors. eta vs tors. theta energy: -94.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1082.627908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.627908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.627908 (E_RNA) where: Base-Base interactions energy: -679.844 where: short stacking energy: -310.806 Base-Backbone interact. energy: 0.391 local terms energy: -403.175677 where: bonds (distance) C4'-P energy: -87.085 bonds (distance) P-C4' energy: -90.500 flat angles C4'-P-C4' energy: -80.240 flat angles P-C4'-P energy: -60.867 tors. eta vs tors. theta energy: -84.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -920.639721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.639721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.639721 (E_RNA) where: Base-Base interactions energy: -544.130 where: short stacking energy: -290.355 Base-Backbone interact. energy: -0.831 local terms energy: -375.679612 where: bonds (distance) C4'-P energy: -88.350 bonds (distance) P-C4' energy: -100.226 flat angles C4'-P-C4' energy: -86.523 flat angles P-C4'-P energy: -48.168 tors. eta vs tors. theta energy: -52.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -825.933206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.933206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.933206 (E_RNA) where: Base-Base interactions energy: -478.007 where: short stacking energy: -214.242 Base-Backbone interact. energy: -1.381 local terms energy: -346.545226 where: bonds (distance) C4'-P energy: -72.933 bonds (distance) P-C4' energy: -84.832 flat angles C4'-P-C4' energy: -85.620 flat angles P-C4'-P energy: -67.341 tors. eta vs tors. theta energy: -35.819 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: 4 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -718.517393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.517393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.517393 (E_RNA) where: Base-Base interactions energy: -379.934 where: short stacking energy: -214.676 Base-Backbone interact. energy: 3.177 local terms energy: -341.760298 where: bonds (distance) C4'-P energy: -86.422 bonds (distance) P-C4' energy: -83.882 flat angles C4'-P-C4' energy: -85.948 flat angles P-C4'-P energy: -59.212 tors. eta vs tors. theta energy: -26.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -584.342451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.342451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.342451 (E_RNA) where: Base-Base interactions energy: -277.035 where: short stacking energy: -161.888 Base-Backbone interact. energy: 3.937 local terms energy: -311.244628 where: bonds (distance) C4'-P energy: -73.920 bonds (distance) P-C4' energy: -95.682 flat angles C4'-P-C4' energy: -80.300 flat angles P-C4'-P energy: -45.615 tors. eta vs tors. theta energy: -15.728 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: 7 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -448.731441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.731441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.731441 (E_RNA) where: Base-Base interactions energy: -177.811 where: short stacking energy: -140.209 Base-Backbone interact. energy: 6.390 local terms energy: -277.310791 where: bonds (distance) C4'-P energy: -80.538 bonds (distance) P-C4' energy: -81.258 flat angles C4'-P-C4' energy: -74.531 flat angles P-C4'-P energy: -45.326 tors. eta vs tors. theta energy: 4.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -424.939259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.939259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.939259 (E_RNA) where: Base-Base interactions energy: -172.395 where: short stacking energy: -101.654 Base-Backbone interact. energy: 1.118 local terms energy: -253.662068 where: bonds (distance) C4'-P energy: -65.599 bonds (distance) P-C4' energy: -91.989 flat angles C4'-P-C4' energy: -68.277 flat angles P-C4'-P energy: -34.429 tors. eta vs tors. theta energy: 6.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1342.101251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.101251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.101251 (E_RNA) where: Base-Base interactions energy: -849.130 where: short stacking energy: -399.347 Base-Backbone interact. energy: -2.001 local terms energy: -490.969882 where: bonds (distance) C4'-P energy: -97.977 bonds (distance) P-C4' energy: -105.636 flat angles C4'-P-C4' energy: -105.774 flat angles P-C4'-P energy: -62.657 tors. eta vs tors. theta energy: -118.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1364.905190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.905190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.905190 (E_RNA) where: Base-Base interactions energy: -896.768 where: short stacking energy: -419.414 Base-Backbone interact. energy: 0.820 local terms energy: -468.957014 where: bonds (distance) C4'-P energy: -91.871 bonds (distance) P-C4' energy: -88.852 flat angles C4'-P-C4' energy: -102.355 flat angles P-C4'-P energy: -68.923 tors. eta vs tors. theta energy: -116.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1194.202590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.202590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.202590 (E_RNA) where: Base-Base interactions energy: -739.945 where: short stacking energy: -345.674 Base-Backbone interact. energy: -0.940 local terms energy: -453.317015 where: bonds (distance) C4'-P energy: -101.907 bonds (distance) P-C4' energy: -91.590 flat angles C4'-P-C4' energy: -90.532 flat angles P-C4'-P energy: -73.929 tors. eta vs tors. theta energy: -95.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1096.358918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.358918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.358918 (E_RNA) where: Base-Base interactions energy: -688.157 where: short stacking energy: -350.011 Base-Backbone interact. energy: -0.921 local terms energy: -407.280990 where: bonds (distance) C4'-P energy: -85.958 bonds (distance) P-C4' energy: -102.551 flat angles C4'-P-C4' energy: -93.447 flat angles P-C4'-P energy: -45.123 tors. eta vs tors. theta energy: -80.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -919.084416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.084416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.084416 (E_RNA) where: Base-Base interactions energy: -565.023 where: short stacking energy: -244.545 Base-Backbone interact. energy: 0.212 local terms energy: -354.273698 where: bonds (distance) C4'-P energy: -91.813 bonds (distance) P-C4' energy: -85.684 flat angles C4'-P-C4' energy: -87.142 flat angles P-C4'-P energy: -50.241 tors. eta vs tors. theta energy: -39.394 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: 6 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -837.293518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.293518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.293518 (E_RNA) where: Base-Base interactions energy: -482.865 where: short stacking energy: -252.744 Base-Backbone interact. energy: 1.259 local terms energy: -355.687264 where: bonds (distance) C4'-P energy: -94.466 bonds (distance) P-C4' energy: -85.537 flat angles C4'-P-C4' energy: -69.673 flat angles P-C4'-P energy: -61.192 tors. eta vs tors. theta energy: -44.820 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: 4 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -683.367825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.367825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.367825 (E_RNA) where: Base-Base interactions energy: -368.208 where: short stacking energy: -215.630 Base-Backbone interact. energy: -2.123 local terms energy: -313.037042 where: bonds (distance) C4'-P energy: -78.130 bonds (distance) P-C4' energy: -90.464 flat angles C4'-P-C4' energy: -71.532 flat angles P-C4'-P energy: -36.657 tors. eta vs tors. theta energy: -36.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -583.938084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.938084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.938084 (E_RNA) where: Base-Base interactions energy: -280.614 where: short stacking energy: -172.313 Base-Backbone interact. energy: -1.157 local terms energy: -302.167558 where: bonds (distance) C4'-P energy: -78.678 bonds (distance) P-C4' energy: -88.882 flat angles C4'-P-C4' energy: -79.906 flat angles P-C4'-P energy: -39.795 tors. eta vs tors. theta energy: -14.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -415.754891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.754891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.754891 (E_RNA) where: Base-Base interactions energy: -156.221 where: short stacking energy: -130.442 Base-Backbone interact. energy: -0.133 local terms energy: -259.401487 where: bonds (distance) C4'-P energy: -76.314 bonds (distance) P-C4' energy: -77.121 flat angles C4'-P-C4' energy: -67.449 flat angles P-C4'-P energy: -43.964 tors. eta vs tors. theta energy: 5.446 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: 40 Temperature: 1.350000 Total energy: -462.605423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.605423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.605423 (E_RNA) where: Base-Base interactions energy: -209.539 where: short stacking energy: -130.122 Base-Backbone interact. energy: -2.520 local terms energy: -250.546601 where: bonds (distance) C4'-P energy: -68.517 bonds (distance) P-C4' energy: -90.971 flat angles C4'-P-C4' energy: -64.288 flat angles P-C4'-P energy: -44.182 tors. eta vs tors. theta energy: 17.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1399.548447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.548447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.548447 (E_RNA) where: Base-Base interactions energy: -883.831 where: short stacking energy: -437.502 Base-Backbone interact. energy: -1.321 local terms energy: -514.396217 where: bonds (distance) C4'-P energy: -94.671 bonds (distance) P-C4' energy: -106.687 flat angles C4'-P-C4' energy: -111.048 flat angles P-C4'-P energy: -79.374 tors. eta vs tors. theta energy: -122.615 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: 10 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1310.821072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.821072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.821072 (E_RNA) where: Base-Base interactions energy: -872.288 where: short stacking energy: -367.036 Base-Backbone interact. energy: -0.689 local terms energy: -437.844372 where: bonds (distance) C4'-P energy: -77.314 bonds (distance) P-C4' energy: -106.288 flat angles C4'-P-C4' energy: -99.110 flat angles P-C4'-P energy: -68.229 tors. eta vs tors. theta energy: -86.904 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: 5 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1216.172632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.172632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.172632 (E_RNA) where: Base-Base interactions energy: -766.457 where: short stacking energy: -384.258 Base-Backbone interact. energy: -3.353 local terms energy: -446.363124 where: bonds (distance) C4'-P energy: -91.631 bonds (distance) P-C4' energy: -90.638 flat angles C4'-P-C4' energy: -96.115 flat angles P-C4'-P energy: -62.895 tors. eta vs tors. theta energy: -105.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1122.809402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.809402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.809402 (E_RNA) where: Base-Base interactions energy: -703.961 where: short stacking energy: -334.606 Base-Backbone interact. energy: -1.987 local terms energy: -416.861280 where: bonds (distance) C4'-P energy: -90.245 bonds (distance) P-C4' energy: -96.537 flat angles C4'-P-C4' energy: -100.422 flat angles P-C4'-P energy: -53.977 tors. eta vs tors. theta energy: -75.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -954.201077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.201077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.201077 (E_RNA) where: Base-Base interactions energy: -567.974 where: short stacking energy: -276.027 Base-Backbone interact. energy: 1.092 local terms energy: -387.319037 where: bonds (distance) C4'-P energy: -88.170 bonds (distance) P-C4' energy: -95.206 flat angles C4'-P-C4' energy: -93.557 flat angles P-C4'-P energy: -58.009 tors. eta vs tors. theta energy: -52.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -825.175421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.175421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.175421 (E_RNA) where: Base-Base interactions energy: -469.223 where: short stacking energy: -229.668 Base-Backbone interact. energy: -0.849 local terms energy: -355.103152 where: bonds (distance) C4'-P energy: -82.893 bonds (distance) P-C4' energy: -99.059 flat angles C4'-P-C4' energy: -74.543 flat angles P-C4'-P energy: -63.107 tors. eta vs tors. theta energy: -35.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -679.596940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.596940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.596940 (E_RNA) where: Base-Base interactions energy: -331.246 where: short stacking energy: -191.397 Base-Backbone interact. energy: -2.121 local terms energy: -346.229724 where: bonds (distance) C4'-P energy: -80.610 bonds (distance) P-C4' energy: -86.081 flat angles C4'-P-C4' energy: -97.090 flat angles P-C4'-P energy: -49.397 tors. eta vs tors. theta energy: -33.051 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: 8, replica: 1 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -578.848368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.848368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.848368 (E_RNA) where: Base-Base interactions energy: -284.592 where: short stacking energy: -180.974 Base-Backbone interact. energy: -0.889 local terms energy: -293.367311 where: bonds (distance) C4'-P energy: -78.273 bonds (distance) P-C4' energy: -86.674 flat angles C4'-P-C4' energy: -66.926 flat angles P-C4'-P energy: -49.765 tors. eta vs tors. theta energy: -11.729 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: 41 Temperature: 1.300000 Total energy: -422.534675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.534675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.534675 (E_RNA) where: Base-Base interactions energy: -140.488 where: short stacking energy: -129.079 Base-Backbone interact. energy: 6.754 local terms energy: -288.800793 where: bonds (distance) C4'-P energy: -77.848 bonds (distance) P-C4' energy: -73.154 flat angles C4'-P-C4' energy: -85.076 flat angles P-C4'-P energy: -52.188 tors. eta vs tors. theta energy: -0.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -445.898736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.898736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.898736 (E_RNA) where: Base-Base interactions energy: -222.175 where: short stacking energy: -137.970 Base-Backbone interact. energy: 1.415 local terms energy: -225.138510 where: bonds (distance) C4'-P energy: -57.553 bonds (distance) P-C4' energy: -72.959 flat angles C4'-P-C4' energy: -65.969 flat angles P-C4'-P energy: -39.156 tors. eta vs tors. theta energy: 10.499 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: 2 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1360.826410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.826410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.826410 (E_RNA) where: Base-Base interactions energy: -873.828 where: short stacking energy: -425.785 Base-Backbone interact. energy: -1.786 local terms energy: -485.212471 where: bonds (distance) C4'-P energy: -90.028 bonds (distance) P-C4' energy: -94.826 flat angles C4'-P-C4' energy: -104.271 flat angles P-C4'-P energy: -75.278 tors. eta vs tors. theta energy: -120.809 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: 10 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1350.724876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.724876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.724876 (E_RNA) where: Base-Base interactions energy: -889.329 where: short stacking energy: -397.349 Base-Backbone interact. energy: -4.187 local terms energy: -457.209229 where: bonds (distance) C4'-P energy: -86.831 bonds (distance) P-C4' energy: -91.831 flat angles C4'-P-C4' energy: -112.865 flat angles P-C4'-P energy: -59.253 tors. eta vs tors. theta energy: -106.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1200.919054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.919054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.919054 (E_RNA) where: Base-Base interactions energy: -752.097 where: short stacking energy: -366.664 Base-Backbone interact. energy: -0.435 local terms energy: -448.386668 where: bonds (distance) C4'-P energy: -84.059 bonds (distance) P-C4' energy: -102.157 flat angles C4'-P-C4' energy: -99.791 flat angles P-C4'-P energy: -63.906 tors. eta vs tors. theta energy: -98.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1077.109420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.109420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.109420 (E_RNA) where: Base-Base interactions energy: -705.281 where: short stacking energy: -325.056 Base-Backbone interact. energy: 1.488 local terms energy: -373.316755 where: bonds (distance) C4'-P energy: -90.868 bonds (distance) P-C4' energy: -61.881 flat angles C4'-P-C4' energy: -86.778 flat angles P-C4'-P energy: -55.562 tors. eta vs tors. theta energy: -78.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -994.015641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.015641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.015641 (E_RNA) where: Base-Base interactions energy: -620.172 where: short stacking energy: -315.465 Base-Backbone interact. energy: -2.112 local terms energy: -371.732346 where: bonds (distance) C4'-P energy: -64.373 bonds (distance) P-C4' energy: -91.767 flat angles C4'-P-C4' energy: -101.102 flat angles P-C4'-P energy: -60.532 tors. eta vs tors. theta energy: -53.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -861.724192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.724192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.724192 (E_RNA) where: Base-Base interactions energy: -503.836 where: short stacking energy: -279.833 Base-Backbone interact. energy: 0.268 local terms energy: -358.156592 where: bonds (distance) C4'-P energy: -96.353 bonds (distance) P-C4' energy: -79.409 flat angles C4'-P-C4' energy: -71.079 flat angles P-C4'-P energy: -56.588 tors. eta vs tors. theta energy: -54.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -677.597587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.597587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.597587 (E_RNA) where: Base-Base interactions energy: -364.717 where: short stacking energy: -196.572 Base-Backbone interact. energy: -0.104 local terms energy: -312.776461 where: bonds (distance) C4'-P energy: -79.214 bonds (distance) P-C4' energy: -87.538 flat angles C4'-P-C4' energy: -82.982 flat angles P-C4'-P energy: -46.083 tors. eta vs tors. theta energy: -16.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -557.713256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.713256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.713256 (E_RNA) where: Base-Base interactions energy: -267.824 where: short stacking energy: -161.847 Base-Backbone interact. energy: 0.425 local terms energy: -290.314015 where: bonds (distance) C4'-P energy: -79.619 bonds (distance) P-C4' energy: -84.837 flat angles C4'-P-C4' energy: -75.200 flat angles P-C4'-P energy: -38.429 tors. eta vs tors. theta energy: -12.228 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: 3 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -522.525947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.525947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.525947 (E_RNA) where: Base-Base interactions energy: -253.505 where: short stacking energy: -150.946 Base-Backbone interact. energy: 2.569 local terms energy: -271.590182 where: bonds (distance) C4'-P energy: -77.828 bonds (distance) P-C4' energy: -76.606 flat angles C4'-P-C4' energy: -70.158 flat angles P-C4'-P energy: -32.699 tors. eta vs tors. theta energy: -14.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -372.842406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.842406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.842406 (E_RNA) where: Base-Base interactions energy: -111.528 where: short stacking energy: -90.380 Base-Backbone interact. energy: -1.751 local terms energy: -259.563407 where: bonds (distance) C4'-P energy: -82.186 bonds (distance) P-C4' energy: -80.189 flat angles C4'-P-C4' energy: -76.316 flat angles P-C4'-P energy: -44.899 tors. eta vs tors. theta energy: 24.027 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: 2 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1367.442996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.442996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.442996 (E_RNA) where: Base-Base interactions energy: -876.468 where: short stacking energy: -419.421 Base-Backbone interact. energy: -3.474 local terms energy: -487.501073 where: bonds (distance) C4'-P energy: -93.921 bonds (distance) P-C4' energy: -103.923 flat angles C4'-P-C4' energy: -104.818 flat angles P-C4'-P energy: -65.702 tors. eta vs tors. theta energy: -119.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1301.549978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.549978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.549978 (E_RNA) where: Base-Base interactions energy: -832.789 where: short stacking energy: -399.849 Base-Backbone interact. energy: -2.488 local terms energy: -466.273463 where: bonds (distance) C4'-P energy: -95.825 bonds (distance) P-C4' energy: -97.773 flat angles C4'-P-C4' energy: -92.498 flat angles P-C4'-P energy: -73.973 tors. eta vs tors. theta energy: -106.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1163.341250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.341250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.341250 (E_RNA) where: Base-Base interactions energy: -747.419 where: short stacking energy: -371.250 Base-Backbone interact. energy: -0.158 local terms energy: -415.763889 where: bonds (distance) C4'-P energy: -80.151 bonds (distance) P-C4' energy: -81.670 flat angles C4'-P-C4' energy: -89.956 flat angles P-C4'-P energy: -68.181 tors. eta vs tors. theta energy: -95.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1074.961316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.961316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.961316 (E_RNA) where: Base-Base interactions energy: -672.361 where: short stacking energy: -327.892 Base-Backbone interact. energy: -0.931 local terms energy: -401.669318 where: bonds (distance) C4'-P energy: -85.735 bonds (distance) P-C4' energy: -90.322 flat angles C4'-P-C4' energy: -93.867 flat angles P-C4'-P energy: -55.268 tors. eta vs tors. theta energy: -76.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1038.082107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.082107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.082107 (E_RNA) where: Base-Base interactions energy: -655.846 where: short stacking energy: -281.199 Base-Backbone interact. energy: -0.029 local terms energy: -382.207663 where: bonds (distance) C4'-P energy: -84.421 bonds (distance) P-C4' energy: -88.135 flat angles C4'-P-C4' energy: -89.971 flat angles P-C4'-P energy: -57.283 tors. eta vs tors. theta energy: -62.398 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: 6 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -892.508202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.508202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.508202 (E_RNA) where: Base-Base interactions energy: -502.075 where: short stacking energy: -250.173 Base-Backbone interact. energy: -2.278 local terms energy: -388.154994 where: bonds (distance) C4'-P energy: -94.554 bonds (distance) P-C4' energy: -92.141 flat angles C4'-P-C4' energy: -79.932 flat angles P-C4'-P energy: -52.116 tors. eta vs tors. theta energy: -69.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -679.343953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.343953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.343953 (E_RNA) where: Base-Base interactions energy: -383.567 where: short stacking energy: -216.965 Base-Backbone interact. energy: 3.501 local terms energy: -299.277714 where: bonds (distance) C4'-P energy: -75.432 bonds (distance) P-C4' energy: -84.154 flat angles C4'-P-C4' energy: -77.122 flat angles P-C4'-P energy: -41.446 tors. eta vs tors. theta energy: -21.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -542.995234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.995234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.995234 (E_RNA) where: Base-Base interactions energy: -233.716 where: short stacking energy: -148.246 Base-Backbone interact. energy: 3.352 local terms energy: -312.631235 where: bonds (distance) C4'-P energy: -97.853 bonds (distance) P-C4' energy: -76.555 flat angles C4'-P-C4' energy: -83.808 flat angles P-C4'-P energy: -48.601 tors. eta vs tors. theta energy: -5.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -534.214187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.214187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.214187 (E_RNA) where: Base-Base interactions energy: -256.701 where: short stacking energy: -152.035 Base-Backbone interact. energy: 0.828 local terms energy: -278.341816 where: bonds (distance) C4'-P energy: -81.888 bonds (distance) P-C4' energy: -92.007 flat angles C4'-P-C4' energy: -60.679 flat angles P-C4'-P energy: -41.421 tors. eta vs tors. theta energy: -2.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -379.595893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.595893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.595893 (E_RNA) where: Base-Base interactions energy: -131.054 where: short stacking energy: -108.506 Base-Backbone interact. energy: 6.570 local terms energy: -255.112119 where: bonds (distance) C4'-P energy: -78.942 bonds (distance) P-C4' energy: -98.772 flat angles C4'-P-C4' energy: -60.901 flat angles P-C4'-P energy: -27.968 tors. eta vs tors. theta energy: 11.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1346.957600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.957600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.957600 (E_RNA) where: Base-Base interactions energy: -829.638 where: short stacking energy: -402.424 Base-Backbone interact. energy: -1.329 local terms energy: -515.991033 where: bonds (distance) C4'-P energy: -100.558 bonds (distance) P-C4' energy: -112.759 flat angles C4'-P-C4' energy: -104.802 flat angles P-C4'-P energy: -69.928 tors. eta vs tors. theta energy: -127.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1339.784290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.784290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.784290 (E_RNA) where: Base-Base interactions energy: -863.808 where: short stacking energy: -383.517 Base-Backbone interact. energy: -6.337 local terms energy: -469.639185 where: bonds (distance) C4'-P energy: -101.233 bonds (distance) P-C4' energy: -98.268 flat angles C4'-P-C4' energy: -112.538 flat angles P-C4'-P energy: -63.119 tors. eta vs tors. theta energy: -94.481 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: 44 Temperature: 1.000000 Total energy: -1186.038109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.038109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.038109 (E_RNA) where: Base-Base interactions energy: -744.861 where: short stacking energy: -333.343 Base-Backbone interact. energy: -3.826 local terms energy: -437.350661 where: bonds (distance) C4'-P energy: -89.972 bonds (distance) P-C4' energy: -93.010 flat angles C4'-P-C4' energy: -102.249 flat angles P-C4'-P energy: -57.489 tors. eta vs tors. theta energy: -94.631 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: 44 Temperature: 1.050000 Total energy: -1094.314546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.314546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.314546 (E_RNA) where: Base-Base interactions energy: -687.303 where: short stacking energy: -341.363 Base-Backbone interact. energy: -0.478 local terms energy: -406.533775 where: bonds (distance) C4'-P energy: -83.236 bonds (distance) P-C4' energy: -90.186 flat angles C4'-P-C4' energy: -93.564 flat angles P-C4'-P energy: -60.087 tors. eta vs tors. theta energy: -79.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -906.314723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.314723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.314723 (E_RNA) where: Base-Base interactions energy: -516.318 where: short stacking energy: -272.411 Base-Backbone interact. energy: 1.754 local terms energy: -391.750495 where: bonds (distance) C4'-P energy: -96.928 bonds (distance) P-C4' energy: -90.927 flat angles C4'-P-C4' energy: -85.443 flat angles P-C4'-P energy: -60.875 tors. eta vs tors. theta energy: -57.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -958.174610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.174610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.174610 (E_RNA) where: Base-Base interactions energy: -580.787 where: short stacking energy: -279.404 Base-Backbone interact. energy: -4.044 local terms energy: -373.344150 where: bonds (distance) C4'-P energy: -81.045 bonds (distance) P-C4' energy: -90.328 flat angles C4'-P-C4' energy: -81.600 flat angles P-C4'-P energy: -49.084 tors. eta vs tors. theta energy: -71.287 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: 1 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -602.069699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.069699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.069699 (E_RNA) where: Base-Base interactions energy: -278.410 where: short stacking energy: -187.973 Base-Backbone interact. energy: -3.184 local terms energy: -320.475675 where: bonds (distance) C4'-P energy: -84.469 bonds (distance) P-C4' energy: -102.910 flat angles C4'-P-C4' energy: -73.996 flat angles P-C4'-P energy: -41.299 tors. eta vs tors. theta energy: -17.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -639.828302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.828302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.828302 (E_RNA) where: Base-Base interactions energy: -334.160 where: short stacking energy: -180.544 Base-Backbone interact. energy: 3.949 local terms energy: -309.617887 where: bonds (distance) C4'-P energy: -91.052 bonds (distance) P-C4' energy: -83.271 flat angles C4'-P-C4' energy: -75.926 flat angles P-C4'-P energy: -45.066 tors. eta vs tors. theta energy: -14.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -423.488333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.488333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.488333 (E_RNA) where: Base-Base interactions energy: -151.361 where: short stacking energy: -122.737 Base-Backbone interact. energy: 4.996 local terms energy: -277.122401 where: bonds (distance) C4'-P energy: -85.098 bonds (distance) P-C4' energy: -85.166 flat angles C4'-P-C4' energy: -80.301 flat angles P-C4'-P energy: -39.501 tors. eta vs tors. theta energy: 12.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -544.048590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.048590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.048590 (E_RNA) where: Base-Base interactions energy: -283.184 where: short stacking energy: -162.850 Base-Backbone interact. energy: 1.523 local terms energy: -262.387114 where: bonds (distance) C4'-P energy: -66.087 bonds (distance) P-C4' energy: -72.760 flat angles C4'-P-C4' energy: -73.754 flat angles P-C4'-P energy: -55.756 tors. eta vs tors. theta energy: 5.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1359.848236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.848236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.848236 (E_RNA) where: Base-Base interactions energy: -857.028 where: short stacking energy: -416.447 Base-Backbone interact. energy: -0.024 local terms energy: -502.796107 where: bonds (distance) C4'-P energy: -99.442 bonds (distance) P-C4' energy: -88.338 flat angles C4'-P-C4' energy: -105.928 flat angles P-C4'-P energy: -80.590 tors. eta vs tors. theta energy: -128.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1323.082528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.082528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.082528 (E_RNA) where: Base-Base interactions energy: -854.540 where: short stacking energy: -372.625 Base-Backbone interact. energy: -0.395 local terms energy: -468.147682 where: bonds (distance) C4'-P energy: -94.009 bonds (distance) P-C4' energy: -93.447 flat angles C4'-P-C4' energy: -112.243 flat angles P-C4'-P energy: -76.815 tors. eta vs tors. theta energy: -91.634 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: 5 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1190.415488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.415488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.415488 (E_RNA) where: Base-Base interactions energy: -761.612 where: short stacking energy: -364.646 Base-Backbone interact. energy: -4.953 local terms energy: -423.849758 where: bonds (distance) C4'-P energy: -94.378 bonds (distance) P-C4' energy: -81.306 flat angles C4'-P-C4' energy: -89.630 flat angles P-C4'-P energy: -60.809 tors. eta vs tors. theta energy: -97.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1106.371378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.371378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.371378 (E_RNA) where: Base-Base interactions energy: -709.265 where: short stacking energy: -348.312 Base-Backbone interact. energy: -0.841 local terms energy: -396.264678 where: bonds (distance) C4'-P energy: -81.625 bonds (distance) P-C4' energy: -86.520 flat angles C4'-P-C4' energy: -82.028 flat angles P-C4'-P energy: -67.886 tors. eta vs tors. theta energy: -78.205 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: 5, replica: 6 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -884.091564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.091564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.091564 (E_RNA) where: Base-Base interactions energy: -515.638 where: short stacking energy: -284.999 Base-Backbone interact. energy: -1.898 local terms energy: -366.556163 where: bonds (distance) C4'-P energy: -85.291 bonds (distance) P-C4' energy: -86.290 flat angles C4'-P-C4' energy: -96.073 flat angles P-C4'-P energy: -51.329 tors. eta vs tors. theta energy: -47.573 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: 8 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -969.189870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.189870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.189870 (E_RNA) where: Base-Base interactions energy: -585.780 where: short stacking energy: -299.334 Base-Backbone interact. energy: -1.137 local terms energy: -382.272830 where: bonds (distance) C4'-P energy: -85.812 bonds (distance) P-C4' energy: -83.975 flat angles C4'-P-C4' energy: -81.468 flat angles P-C4'-P energy: -57.262 tors. eta vs tors. theta energy: -73.755 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: 1 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -626.275076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.275076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.275076 (E_RNA) where: Base-Base interactions energy: -304.084 where: short stacking energy: -209.307 Base-Backbone interact. energy: -0.569 local terms energy: -321.621766 where: bonds (distance) C4'-P energy: -75.917 bonds (distance) P-C4' energy: -87.487 flat angles C4'-P-C4' energy: -79.434 flat angles P-C4'-P energy: -37.125 tors. eta vs tors. theta energy: -41.658 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: 45 Temperature: 1.250000 Total energy: -663.666613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.666613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.666613 (E_RNA) where: Base-Base interactions energy: -373.487 where: short stacking energy: -211.279 Base-Backbone interact. energy: -2.552 local terms energy: -287.628163 where: bonds (distance) C4'-P energy: -65.276 bonds (distance) P-C4' energy: -87.671 flat angles C4'-P-C4' energy: -70.138 flat angles P-C4'-P energy: -50.843 tors. eta vs tors. theta energy: -13.701 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: 7 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -416.101980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.101980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.101980 (E_RNA) where: Base-Base interactions energy: -148.032 where: short stacking energy: -127.078 Base-Backbone interact. energy: 1.535 local terms energy: -269.605395 where: bonds (distance) C4'-P energy: -71.097 bonds (distance) P-C4' energy: -91.510 flat angles C4'-P-C4' energy: -64.475 flat angles P-C4'-P energy: -40.948 tors. eta vs tors. theta energy: -1.575 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: 3 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -508.238637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.238637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.238637 (E_RNA) where: Base-Base interactions energy: -237.607 where: short stacking energy: -138.870 Base-Backbone interact. energy: -1.675 local terms energy: -268.956611 where: bonds (distance) C4'-P energy: -75.877 bonds (distance) P-C4' energy: -81.420 flat angles C4'-P-C4' energy: -85.377 flat angles P-C4'-P energy: -32.038 tors. eta vs tors. theta energy: 5.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1370.937494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.937494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.937494 (E_RNA) where: Base-Base interactions energy: -882.463 where: short stacking energy: -420.772 Base-Backbone interact. energy: -1.382 local terms energy: -487.091951 where: bonds (distance) C4'-P energy: -99.252 bonds (distance) P-C4' energy: -79.079 flat angles C4'-P-C4' energy: -110.142 flat angles P-C4'-P energy: -70.685 tors. eta vs tors. theta energy: -127.935 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: 2, replica: 10 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1351.276483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.276483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.276483 (E_RNA) where: Base-Base interactions energy: -878.046 where: short stacking energy: -375.434 Base-Backbone interact. energy: -2.901 local terms energy: -470.329372 where: bonds (distance) C4'-P energy: -100.518 bonds (distance) P-C4' energy: -104.226 flat angles C4'-P-C4' energy: -91.386 flat angles P-C4'-P energy: -67.504 tors. eta vs tors. theta energy: -106.695 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: 5 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1158.692606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.692606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.692606 (E_RNA) where: Base-Base interactions energy: -727.383 where: short stacking energy: -360.341 Base-Backbone interact. energy: 1.981 local terms energy: -433.290299 where: bonds (distance) C4'-P energy: -89.770 bonds (distance) P-C4' energy: -94.445 flat angles C4'-P-C4' energy: -92.565 flat angles P-C4'-P energy: -60.334 tors. eta vs tors. theta energy: -96.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1090.175142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.175142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.175142 (E_RNA) where: Base-Base interactions energy: -659.409 where: short stacking energy: -346.923 Base-Backbone interact. energy: 0.404 local terms energy: -431.169442 where: bonds (distance) C4'-P energy: -95.129 bonds (distance) P-C4' energy: -102.230 flat angles C4'-P-C4' energy: -91.630 flat angles P-C4'-P energy: -62.678 tors. eta vs tors. theta energy: -79.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -975.517724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.517724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.517724 (E_RNA) where: Base-Base interactions energy: -608.317 where: short stacking energy: -275.950 Base-Backbone interact. energy: -1.629 local terms energy: -365.572190 where: bonds (distance) C4'-P energy: -85.093 bonds (distance) P-C4' energy: -88.451 flat angles C4'-P-C4' energy: -83.100 flat angles P-C4'-P energy: -65.731 tors. eta vs tors. theta energy: -43.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -811.505044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.505044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.505044 (E_RNA) where: Base-Base interactions energy: -462.093 where: short stacking energy: -222.985 Base-Backbone interact. energy: -2.286 local terms energy: -347.125755 where: bonds (distance) C4'-P energy: -80.065 bonds (distance) P-C4' energy: -94.157 flat angles C4'-P-C4' energy: -88.985 flat angles P-C4'-P energy: -52.964 tors. eta vs tors. theta energy: -30.954 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: 46 Temperature: 1.200000 Total energy: -696.423307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.423307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.423307 (E_RNA) where: Base-Base interactions energy: -374.787 where: short stacking energy: -193.709 Base-Backbone interact. energy: 2.152 local terms energy: -323.788027 where: bonds (distance) C4'-P energy: -79.037 bonds (distance) P-C4' energy: -90.131 flat angles C4'-P-C4' energy: -86.531 flat angles P-C4'-P energy: -52.643 tors. eta vs tors. theta energy: -15.446 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: 1 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -566.704514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.704514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.704514 (E_RNA) where: Base-Base interactions energy: -280.976 where: short stacking energy: -177.060 Base-Backbone interact. energy: -0.252 local terms energy: -285.476757 where: bonds (distance) C4'-P energy: -72.663 bonds (distance) P-C4' energy: -88.089 flat angles C4'-P-C4' energy: -76.374 flat angles P-C4'-P energy: -32.811 tors. eta vs tors. theta energy: -15.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -517.862432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.862432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.862432 (E_RNA) where: Base-Base interactions energy: -261.708 where: short stacking energy: -169.779 Base-Backbone interact. energy: 1.212 local terms energy: -257.366292 where: bonds (distance) C4'-P energy: -66.320 bonds (distance) P-C4' energy: -85.987 flat angles C4'-P-C4' energy: -74.248 flat angles P-C4'-P energy: -26.626 tors. eta vs tors. theta energy: -4.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -436.580880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.580880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.580880 (E_RNA) where: Base-Base interactions energy: -166.071 where: short stacking energy: -122.380 Base-Backbone interact. energy: -1.893 local terms energy: -268.617393 where: bonds (distance) C4'-P energy: -80.950 bonds (distance) P-C4' energy: -71.967 flat angles C4'-P-C4' energy: -78.516 flat angles P-C4'-P energy: -49.088 tors. eta vs tors. theta energy: 11.904 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: 47 Temperature: 0.900000 Total energy: -1357.153018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.153018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.153018 (E_RNA) where: Base-Base interactions energy: -874.076 where: short stacking energy: -423.348 Base-Backbone interact. energy: 0.694 local terms energy: -483.771908 where: bonds (distance) C4'-P energy: -85.063 bonds (distance) P-C4' energy: -99.238 flat angles C4'-P-C4' energy: -105.671 flat angles P-C4'-P energy: -69.454 tors. eta vs tors. theta energy: -124.347 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: 10 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1359.809613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.809613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.809613 (E_RNA) where: Base-Base interactions energy: -883.674 where: short stacking energy: -400.181 Base-Backbone interact. energy: -3.020 local terms energy: -473.115786 where: bonds (distance) C4'-P energy: -89.275 bonds (distance) P-C4' energy: -102.009 flat angles C4'-P-C4' energy: -98.873 flat angles P-C4'-P energy: -70.225 tors. eta vs tors. theta energy: -112.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1183.384071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.384071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.384071 (E_RNA) where: Base-Base interactions energy: -729.597 where: short stacking energy: -366.039 Base-Backbone interact. energy: -2.302 local terms energy: -451.485390 where: bonds (distance) C4'-P energy: -87.375 bonds (distance) P-C4' energy: -102.587 flat angles C4'-P-C4' energy: -94.146 flat angles P-C4'-P energy: -61.768 tors. eta vs tors. theta energy: -105.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1137.052408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.052408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.052408 (E_RNA) where: Base-Base interactions energy: -725.472 where: short stacking energy: -351.558 Base-Backbone interact. energy: 0.522 local terms energy: -412.101989 where: bonds (distance) C4'-P energy: -74.070 bonds (distance) P-C4' energy: -96.212 flat angles C4'-P-C4' energy: -90.902 flat angles P-C4'-P energy: -61.057 tors. eta vs tors. theta energy: -89.862 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: 8 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -993.949973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.949973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.949973 (E_RNA) where: Base-Base interactions energy: -602.335 where: short stacking energy: -270.329 Base-Backbone interact. energy: 2.247 local terms energy: -393.861786 where: bonds (distance) C4'-P energy: -98.103 bonds (distance) P-C4' energy: -91.387 flat angles C4'-P-C4' energy: -93.443 flat angles P-C4'-P energy: -56.680 tors. eta vs tors. theta energy: -54.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -792.041741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.041741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.041741 (E_RNA) where: Base-Base interactions energy: -449.947 where: short stacking energy: -239.251 Base-Backbone interact. energy: 1.167 local terms energy: -343.261880 where: bonds (distance) C4'-P energy: -73.627 bonds (distance) P-C4' energy: -89.853 flat angles C4'-P-C4' energy: -80.674 flat angles P-C4'-P energy: -60.599 tors. eta vs tors. theta energy: -38.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -806.020906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.020906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.020906 (E_RNA) where: Base-Base interactions energy: -472.925 where: short stacking energy: -246.117 Base-Backbone interact. energy: -2.054 local terms energy: -331.042568 where: bonds (distance) C4'-P energy: -67.049 bonds (distance) P-C4' energy: -93.144 flat angles C4'-P-C4' energy: -73.138 flat angles P-C4'-P energy: -56.477 tors. eta vs tors. theta energy: -41.235 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: 47 Temperature: 1.250000 Total energy: -590.948412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.948412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.948412 (E_RNA) where: Base-Base interactions energy: -295.543 where: short stacking energy: -187.450 Base-Backbone interact. energy: -0.780 local terms energy: -294.625688 where: bonds (distance) C4'-P energy: -84.396 bonds (distance) P-C4' energy: -76.310 flat angles C4'-P-C4' energy: -78.763 flat angles P-C4'-P energy: -46.948 tors. eta vs tors. theta energy: -8.209 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: 1 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -585.361485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.361485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.361485 (E_RNA) where: Base-Base interactions energy: -310.337 where: short stacking energy: -184.177 Base-Backbone interact. energy: -0.448 local terms energy: -274.576158 where: bonds (distance) C4'-P energy: -93.954 bonds (distance) P-C4' energy: -77.692 flat angles C4'-P-C4' energy: -65.157 flat angles P-C4'-P energy: -34.613 tors. eta vs tors. theta energy: -3.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -389.843945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.843945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.843945 (E_RNA) where: Base-Base interactions energy: -128.573 where: short stacking energy: -110.094 Base-Backbone interact. energy: -0.700 local terms energy: -260.571491 where: bonds (distance) C4'-P energy: -69.016 bonds (distance) P-C4' energy: -76.714 flat angles C4'-P-C4' energy: -73.856 flat angles P-C4'-P energy: -43.532 tors. eta vs tors. theta energy: 2.545 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: 2 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1373.658863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.658863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.658863 (E_RNA) where: Base-Base interactions energy: -883.545 where: short stacking energy: -439.247 Base-Backbone interact. energy: -1.520 local terms energy: -488.594285 where: bonds (distance) C4'-P energy: -103.517 bonds (distance) P-C4' energy: -88.255 flat angles C4'-P-C4' energy: -106.603 flat angles P-C4'-P energy: -65.918 tors. eta vs tors. theta energy: -124.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1353.383770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.383770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.383770 (E_RNA) where: Base-Base interactions energy: -894.738 where: short stacking energy: -419.299 Base-Backbone interact. energy: -2.318 local terms energy: -456.328440 where: bonds (distance) C4'-P energy: -88.709 bonds (distance) P-C4' energy: -100.597 flat angles C4'-P-C4' energy: -98.898 flat angles P-C4'-P energy: -68.287 tors. eta vs tors. theta energy: -99.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1172.443113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.443113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.443113 (E_RNA) where: Base-Base interactions energy: -740.945 where: short stacking energy: -343.129 Base-Backbone interact. energy: -3.661 local terms energy: -427.836889 where: bonds (distance) C4'-P energy: -94.250 bonds (distance) P-C4' energy: -91.218 flat angles C4'-P-C4' energy: -86.503 flat angles P-C4'-P energy: -52.869 tors. eta vs tors. theta energy: -102.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1135.152418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.152418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.152418 (E_RNA) where: Base-Base interactions energy: -723.878 where: short stacking energy: -362.595 Base-Backbone interact. energy: -1.363 local terms energy: -409.911379 where: bonds (distance) C4'-P energy: -79.602 bonds (distance) P-C4' energy: -84.742 flat angles C4'-P-C4' energy: -101.993 flat angles P-C4'-P energy: -49.988 tors. eta vs tors. theta energy: -93.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1042.236399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.236399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.236399 (E_RNA) where: Base-Base interactions energy: -646.050 where: short stacking energy: -329.419 Base-Backbone interact. energy: -1.291 local terms energy: -394.895504 where: bonds (distance) C4'-P energy: -81.355 bonds (distance) P-C4' energy: -85.007 flat angles C4'-P-C4' energy: -96.373 flat angles P-C4'-P energy: -57.416 tors. eta vs tors. theta energy: -74.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -782.336856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.336856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.336856 (E_RNA) where: Base-Base interactions energy: -433.279 where: short stacking energy: -231.497 Base-Backbone interact. energy: -1.644 local terms energy: -347.414071 where: bonds (distance) C4'-P energy: -83.997 bonds (distance) P-C4' energy: -81.578 flat angles C4'-P-C4' energy: -79.540 flat angles P-C4'-P energy: -60.209 tors. eta vs tors. theta energy: -42.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -801.352253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.352253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.352253 (E_RNA) where: Base-Base interactions energy: -463.509 where: short stacking energy: -251.442 Base-Backbone interact. energy: 3.205 local terms energy: -341.048000 where: bonds (distance) C4'-P energy: -79.718 bonds (distance) P-C4' energy: -80.510 flat angles C4'-P-C4' energy: -85.749 flat angles P-C4'-P energy: -53.213 tors. eta vs tors. theta energy: -41.859 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: 3 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -627.028960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.028960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.028960 (E_RNA) where: Base-Base interactions energy: -337.763 where: short stacking energy: -187.228 Base-Backbone interact. energy: 0.178 local terms energy: -289.443554 where: bonds (distance) C4'-P energy: -76.746 bonds (distance) P-C4' energy: -81.390 flat angles C4'-P-C4' energy: -67.029 flat angles P-C4'-P energy: -48.878 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: 9, replica: 1 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -544.112861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.112861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.112861 (E_RNA) where: Base-Base interactions energy: -266.309 where: short stacking energy: -159.419 Base-Backbone interact. energy: -1.016 local terms energy: -276.787619 where: bonds (distance) C4'-P energy: -68.250 bonds (distance) P-C4' energy: -77.567 flat angles C4'-P-C4' energy: -79.213 flat angles P-C4'-P energy: -47.683 tors. eta vs tors. theta energy: -4.075 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: 7 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -369.987612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.987612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.987612 (E_RNA) where: Base-Base interactions energy: -127.920 where: short stacking energy: -115.356 Base-Backbone interact. energy: 0.985 local terms energy: -243.052769 where: bonds (distance) C4'-P energy: -69.148 bonds (distance) P-C4' energy: -86.707 flat angles C4'-P-C4' energy: -56.978 flat angles P-C4'-P energy: -35.571 tors. eta vs tors. theta energy: 5.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1383.848932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.848932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.848932 (E_RNA) where: Base-Base interactions energy: -873.914 where: short stacking energy: -428.908 Base-Backbone interact. energy: -0.746 local terms energy: -509.188790 where: bonds (distance) C4'-P energy: -104.860 bonds (distance) P-C4' energy: -103.625 flat angles C4'-P-C4' energy: -95.570 flat angles P-C4'-P energy: -74.212 tors. eta vs tors. theta energy: -130.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1305.724472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.724472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.724472 (E_RNA) where: Base-Base interactions energy: -845.072 where: short stacking energy: -400.001 Base-Backbone interact. energy: 1.634 local terms energy: -462.286091 where: bonds (distance) C4'-P energy: -90.162 bonds (distance) P-C4' energy: -95.249 flat angles C4'-P-C4' energy: -95.003 flat angles P-C4'-P energy: -74.133 tors. eta vs tors. theta energy: -107.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1218.060093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.060093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.060093 (E_RNA) where: Base-Base interactions energy: -775.092 where: short stacking energy: -377.128 Base-Backbone interact. energy: -1.732 local terms energy: -441.235604 where: bonds (distance) C4'-P energy: -94.455 bonds (distance) P-C4' energy: -89.850 flat angles C4'-P-C4' energy: -100.904 flat angles P-C4'-P energy: -53.777 tors. eta vs tors. theta energy: -102.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1114.166020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.166020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.166020 (E_RNA) where: Base-Base interactions energy: -686.909 where: short stacking energy: -343.820 Base-Backbone interact. energy: 1.234 local terms energy: -428.490944 where: bonds (distance) C4'-P energy: -90.425 bonds (distance) P-C4' energy: -94.077 flat angles C4'-P-C4' energy: -103.503 flat angles P-C4'-P energy: -63.276 tors. eta vs tors. theta energy: -77.210 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: 5, replica: 8 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1032.864401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.864401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.864401 (E_RNA) where: Base-Base interactions energy: -678.006 where: short stacking energy: -300.479 Base-Backbone interact. energy: 3.204 local terms energy: -358.062539 where: bonds (distance) C4'-P energy: -78.283 bonds (distance) P-C4' energy: -77.443 flat angles C4'-P-C4' energy: -77.957 flat angles P-C4'-P energy: -56.666 tors. eta vs tors. theta energy: -67.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -770.840966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.840966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.840966 (E_RNA) where: Base-Base interactions energy: -431.025 where: short stacking energy: -234.285 Base-Backbone interact. energy: -0.449 local terms energy: -339.366883 where: bonds (distance) C4'-P energy: -77.657 bonds (distance) P-C4' energy: -82.845 flat angles C4'-P-C4' energy: -82.676 flat angles P-C4'-P energy: -52.256 tors. eta vs tors. theta energy: -43.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -745.455816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.455816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.455816 (E_RNA) where: Base-Base interactions energy: -425.819 where: short stacking energy: -218.747 Base-Backbone interact. energy: -3.351 local terms energy: -316.286026 where: bonds (distance) C4'-P energy: -74.267 bonds (distance) P-C4' energy: -88.966 flat angles C4'-P-C4' energy: -67.742 flat angles P-C4'-P energy: -52.066 tors. eta vs tors. theta energy: -33.245 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: 3 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -617.493405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.493405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.493405 (E_RNA) where: Base-Base interactions energy: -331.907 where: short stacking energy: -179.124 Base-Backbone interact. energy: 0.364 local terms energy: -285.950419 where: bonds (distance) C4'-P energy: -83.399 bonds (distance) P-C4' energy: -78.218 flat angles C4'-P-C4' energy: -73.849 flat angles P-C4'-P energy: -45.487 tors. eta vs tors. theta energy: -4.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -536.249111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.249111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.249111 (E_RNA) where: Base-Base interactions energy: -285.463 where: short stacking energy: -175.393 Base-Backbone interact. energy: 5.734 local terms energy: -256.519839 where: bonds (distance) C4'-P energy: -79.195 bonds (distance) P-C4' energy: -77.427 flat angles C4'-P-C4' energy: -68.944 flat angles P-C4'-P energy: -34.741 tors. eta vs tors. theta energy: 3.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -388.757942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.757942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.757942 (E_RNA) where: Base-Base interactions energy: -170.634 where: short stacking energy: -135.745 Base-Backbone interact. energy: -0.002 local terms energy: -218.121840 where: bonds (distance) C4'-P energy: -45.407 bonds (distance) P-C4' energy: -80.325 flat angles C4'-P-C4' energy: -71.353 flat angles P-C4'-P energy: -34.302 tors. eta vs tors. theta energy: 13.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1386.891064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.891064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.891064 (E_RNA) where: Base-Base interactions energy: -895.425 where: short stacking energy: -417.191 Base-Backbone interact. energy: -3.100 local terms energy: -488.366204 where: bonds (distance) C4'-P energy: -103.952 bonds (distance) P-C4' energy: -92.235 flat angles C4'-P-C4' energy: -109.290 flat angles P-C4'-P energy: -60.654 tors. eta vs tors. theta energy: -122.236 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: 10 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1322.573188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.573188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.573188 (E_RNA) where: Base-Base interactions energy: -872.364 where: short stacking energy: -404.366 Base-Backbone interact. energy: -3.038 local terms energy: -447.171281 where: bonds (distance) C4'-P energy: -65.957 bonds (distance) P-C4' energy: -86.776 flat angles C4'-P-C4' energy: -108.408 flat angles P-C4'-P energy: -73.624 tors. eta vs tors. theta energy: -112.405 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: 50 Temperature: 1.000000 Total energy: -1215.516242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.516242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.516242 (E_RNA) where: Base-Base interactions energy: -771.802 where: short stacking energy: -351.620 Base-Backbone interact. energy: -2.529 local terms energy: -441.184861 where: bonds (distance) C4'-P energy: -97.507 bonds (distance) P-C4' energy: -83.399 flat angles C4'-P-C4' energy: -96.491 flat angles P-C4'-P energy: -74.157 tors. eta vs tors. theta energy: -89.631 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: 50 Temperature: 1.050000 Total energy: -1124.989184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.989184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.989184 (E_RNA) where: Base-Base interactions energy: -716.940 where: short stacking energy: -312.509 Base-Backbone interact. energy: -1.293 local terms energy: -406.756659 where: bonds (distance) C4'-P energy: -86.106 bonds (distance) P-C4' energy: -89.595 flat angles C4'-P-C4' energy: -100.935 flat angles P-C4'-P energy: -50.887 tors. eta vs tors. theta energy: -79.234 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: 8 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1003.713389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.713389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.713389 (E_RNA) where: Base-Base interactions energy: -597.951 where: short stacking energy: -307.774 Base-Backbone interact. energy: -0.410 local terms energy: -405.352473 where: bonds (distance) C4'-P energy: -90.958 bonds (distance) P-C4' energy: -84.704 flat angles C4'-P-C4' energy: -100.064 flat angles P-C4'-P energy: -60.959 tors. eta vs tors. theta energy: -68.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -822.195130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.195130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.195130 (E_RNA) where: Base-Base interactions energy: -479.634 where: short stacking energy: -264.192 Base-Backbone interact. energy: 1.546 local terms energy: -344.107241 where: bonds (distance) C4'-P energy: -80.541 bonds (distance) P-C4' energy: -71.619 flat angles C4'-P-C4' energy: -90.794 flat angles P-C4'-P energy: -58.605 tors. eta vs tors. theta energy: -42.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -784.144913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.144913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.144913 (E_RNA) where: Base-Base interactions energy: -437.597 where: short stacking energy: -236.163 Base-Backbone interact. energy: -3.976 local terms energy: -342.571352 where: bonds (distance) C4'-P energy: -80.009 bonds (distance) P-C4' energy: -100.893 flat angles C4'-P-C4' energy: -72.698 flat angles P-C4'-P energy: -62.278 tors. eta vs tors. theta energy: -26.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -590.334825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.334825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.334825 (E_RNA) where: Base-Base interactions energy: -294.206 where: short stacking energy: -183.778 Base-Backbone interact. energy: -0.431 local terms energy: -295.698160 where: bonds (distance) C4'-P energy: -67.029 bonds (distance) P-C4' energy: -90.043 flat angles C4'-P-C4' energy: -68.416 flat angles P-C4'-P energy: -45.467 tors. eta vs tors. theta energy: -24.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -546.266492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.266492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.266492 (E_RNA) where: Base-Base interactions energy: -265.307 where: short stacking energy: -148.298 Base-Backbone interact. energy: -1.105 local terms energy: -279.853861 where: bonds (distance) C4'-P energy: -82.460 bonds (distance) P-C4' energy: -85.048 flat angles C4'-P-C4' energy: -70.449 flat angles P-C4'-P energy: -39.794 tors. eta vs tors. theta energy: -2.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -383.012869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.012869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.012869 (E_RNA) where: Base-Base interactions energy: -135.067 where: short stacking energy: -117.085 Base-Backbone interact. energy: -1.377 local terms energy: -246.568810 where: bonds (distance) C4'-P energy: -81.945 bonds (distance) P-C4' energy: -66.122 flat angles C4'-P-C4' energy: -81.419 flat angles P-C4'-P energy: -37.494 tors. eta vs tors. theta energy: 20.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1370.113831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.113831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.113831 (E_RNA) where: Base-Base interactions energy: -884.799 where: short stacking energy: -435.912 Base-Backbone interact. energy: -2.398 local terms energy: -482.916764 where: bonds (distance) C4'-P energy: -88.199 bonds (distance) P-C4' energy: -94.070 flat angles C4'-P-C4' energy: -108.900 flat angles P-C4'-P energy: -70.738 tors. eta vs tors. theta energy: -121.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1345.523210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.523210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.523210 (E_RNA) where: Base-Base interactions energy: -872.891 where: short stacking energy: -410.492 Base-Backbone interact. energy: -2.935 local terms energy: -469.696948 where: bonds (distance) C4'-P energy: -88.184 bonds (distance) P-C4' energy: -96.877 flat angles C4'-P-C4' energy: -100.109 flat angles P-C4'-P energy: -65.225 tors. eta vs tors. theta energy: -119.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1238.809380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.809380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.809380 (E_RNA) where: Base-Base interactions energy: -797.505 where: short stacking energy: -362.539 Base-Backbone interact. energy: -5.986 local terms energy: -435.318296 where: bonds (distance) C4'-P energy: -80.250 bonds (distance) P-C4' energy: -88.134 flat angles C4'-P-C4' energy: -97.238 flat angles P-C4'-P energy: -69.580 tors. eta vs tors. theta energy: -100.116 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: 51 Temperature: 1.050000 Total energy: -1128.949507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.949507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.949507 (E_RNA) where: Base-Base interactions energy: -720.000 where: short stacking energy: -335.861 Base-Backbone interact. energy: -2.129 local terms energy: -406.820803 where: bonds (distance) C4'-P energy: -92.815 bonds (distance) P-C4' energy: -96.241 flat angles C4'-P-C4' energy: -88.188 flat angles P-C4'-P energy: -49.397 tors. eta vs tors. theta energy: -80.180 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: 8 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1005.319875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.319875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.319875 (E_RNA) where: Base-Base interactions energy: -617.329 where: short stacking energy: -328.641 Base-Backbone interact. energy: 0.822 local terms energy: -388.813236 where: bonds (distance) C4'-P energy: -83.447 bonds (distance) P-C4' energy: -86.382 flat angles C4'-P-C4' energy: -94.839 flat angles P-C4'-P energy: -54.741 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: 51 Temperature: 1.150000 Total energy: -829.599517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.599517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.599517 (E_RNA) where: Base-Base interactions energy: -462.585 where: short stacking energy: -253.444 Base-Backbone interact. energy: -2.482 local terms energy: -364.533325 where: bonds (distance) C4'-P energy: -75.750 bonds (distance) P-C4' energy: -88.759 flat angles C4'-P-C4' energy: -85.737 flat angles P-C4'-P energy: -59.112 tors. eta vs tors. theta energy: -55.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -786.755572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.755572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.755572 (E_RNA) where: Base-Base interactions energy: -445.799 where: short stacking energy: -250.753 Base-Backbone interact. energy: 1.256 local terms energy: -342.212886 where: bonds (distance) C4'-P energy: -80.064 bonds (distance) P-C4' energy: -80.843 flat angles C4'-P-C4' energy: -92.350 flat angles P-C4'-P energy: -50.687 tors. eta vs tors. theta energy: -38.268 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: 1 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -579.188300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.188300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.188300 (E_RNA) where: Base-Base interactions energy: -275.599 where: short stacking energy: -150.779 Base-Backbone interact. energy: 0.207 local terms energy: -303.796880 where: bonds (distance) C4'-P energy: -81.828 bonds (distance) P-C4' energy: -101.635 flat angles C4'-P-C4' energy: -61.627 flat angles P-C4'-P energy: -50.401 tors. eta vs tors. theta energy: -8.306 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: 9, replica: 3 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -573.369133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.369133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.369133 (E_RNA) where: Base-Base interactions energy: -284.921 where: short stacking energy: -156.860 Base-Backbone interact. energy: 2.510 local terms energy: -290.957934 where: bonds (distance) C4'-P energy: -76.309 bonds (distance) P-C4' energy: -79.593 flat angles C4'-P-C4' energy: -64.633 flat angles P-C4'-P energy: -50.480 tors. eta vs tors. theta energy: -19.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -390.432955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.432955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.432955 (E_RNA) where: Base-Base interactions energy: -128.220 where: short stacking energy: -109.444 Base-Backbone interact. energy: -2.374 local terms energy: -259.838835 where: bonds (distance) C4'-P energy: -86.754 bonds (distance) P-C4' energy: -101.990 flat angles C4'-P-C4' energy: -67.462 flat angles P-C4'-P energy: -29.556 tors. eta vs tors. theta energy: 25.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1368.677009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.677009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.677009 (E_RNA) where: Base-Base interactions energy: -901.612 where: short stacking energy: -415.792 Base-Backbone interact. energy: 2.836 local terms energy: -469.901511 where: bonds (distance) C4'-P energy: -78.897 bonds (distance) P-C4' energy: -91.597 flat angles C4'-P-C4' energy: -113.154 flat angles P-C4'-P energy: -66.930 tors. eta vs tors. theta energy: -119.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1330.079404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.079404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.079404 (E_RNA) where: Base-Base interactions energy: -868.817 where: short stacking energy: -405.109 Base-Backbone interact. energy: -4.450 local terms energy: -456.812695 where: bonds (distance) C4'-P energy: -91.228 bonds (distance) P-C4' energy: -97.524 flat angles C4'-P-C4' energy: -102.547 flat angles P-C4'-P energy: -56.611 tors. eta vs tors. theta energy: -108.903 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: 5 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -1183.030951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.030951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.030951 (E_RNA) where: Base-Base interactions energy: -734.127 where: short stacking energy: -345.656 Base-Backbone interact. energy: 0.286 local terms energy: -449.189883 where: bonds (distance) C4'-P energy: -94.542 bonds (distance) P-C4' energy: -107.226 flat angles C4'-P-C4' energy: -88.853 flat angles P-C4'-P energy: -66.271 tors. eta vs tors. theta energy: -92.298 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: 9 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1122.808469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.808469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.808469 (E_RNA) where: Base-Base interactions energy: -715.270 where: short stacking energy: -355.638 Base-Backbone interact. energy: -1.148 local terms energy: -406.390464 where: bonds (distance) C4'-P energy: -86.034 bonds (distance) P-C4' energy: -82.895 flat angles C4'-P-C4' energy: -84.157 flat angles P-C4'-P energy: -67.282 tors. eta vs tors. theta energy: -86.022 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: 52 Temperature: 1.100000 Total energy: -1008.341339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.341339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.341339 (E_RNA) where: Base-Base interactions energy: -610.037 where: short stacking energy: -287.720 Base-Backbone interact. energy: -1.703 local terms energy: -396.601380 where: bonds (distance) C4'-P energy: -92.918 bonds (distance) P-C4' energy: -92.507 flat angles C4'-P-C4' energy: -83.014 flat angles P-C4'-P energy: -64.101 tors. eta vs tors. theta energy: -64.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -842.872727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.872727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.872727 (E_RNA) where: Base-Base interactions energy: -490.849 where: short stacking energy: -246.177 Base-Backbone interact. energy: -0.485 local terms energy: -351.538796 where: bonds (distance) C4'-P energy: -84.186 bonds (distance) P-C4' energy: -93.130 flat angles C4'-P-C4' energy: -85.370 flat angles P-C4'-P energy: -52.591 tors. eta vs tors. theta energy: -36.262 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: 7, replica: 4 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -721.938285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.938285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.938285 (E_RNA) where: Base-Base interactions energy: -382.733 where: short stacking energy: -205.201 Base-Backbone interact. energy: -0.038 local terms energy: -339.166986 where: bonds (distance) C4'-P energy: -86.456 bonds (distance) P-C4' energy: -84.671 flat angles C4'-P-C4' energy: -86.663 flat angles P-C4'-P energy: -45.167 tors. eta vs tors. theta energy: -36.210 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: 1 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -622.666111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.666111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.666111 (E_RNA) where: Base-Base interactions energy: -333.298 where: short stacking energy: -196.674 Base-Backbone interact. energy: 1.821 local terms energy: -291.189957 where: bonds (distance) C4'-P energy: -67.579 bonds (distance) P-C4' energy: -90.937 flat angles C4'-P-C4' energy: -75.783 flat angles P-C4'-P energy: -44.889 tors. eta vs tors. theta energy: -12.001 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: 3 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -571.359212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.359212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.359212 (E_RNA) where: Base-Base interactions energy: -295.186 where: short stacking energy: -175.469 Base-Backbone interact. energy: -3.321 local terms energy: -272.851460 where: bonds (distance) C4'-P energy: -59.503 bonds (distance) P-C4' energy: -74.691 flat angles C4'-P-C4' energy: -76.446 flat angles P-C4'-P energy: -40.911 tors. eta vs tors. theta energy: -21.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -370.431277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.431277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.431277 (E_RNA) where: Base-Base interactions energy: -142.081 where: short stacking energy: -106.304 Base-Backbone interact. energy: 0.877 local terms energy: -229.227826 where: bonds (distance) C4'-P energy: -78.770 bonds (distance) P-C4' energy: -69.271 flat angles C4'-P-C4' energy: -63.059 flat angles P-C4'-P energy: -36.586 tors. eta vs tors. theta energy: 18.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1396.117914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.117914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.117914 (E_RNA) where: Base-Base interactions energy: -889.885 where: short stacking energy: -421.407 Base-Backbone interact. energy: -1.356 local terms energy: -504.876820 where: bonds (distance) C4'-P energy: -98.562 bonds (distance) P-C4' energy: -106.236 flat angles C4'-P-C4' energy: -107.040 flat angles P-C4'-P energy: -64.747 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: 2, replica: 10 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1311.410319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.410319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.410319 (E_RNA) where: Base-Base interactions energy: -867.485 where: short stacking energy: -400.584 Base-Backbone interact. energy: -3.529 local terms energy: -440.396589 where: bonds (distance) C4'-P energy: -82.160 bonds (distance) P-C4' energy: -91.063 flat angles C4'-P-C4' energy: -101.619 flat angles P-C4'-P energy: -66.165 tors. eta vs tors. theta energy: -99.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1194.503477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.503477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.503477 (E_RNA) where: Base-Base interactions energy: -759.735 where: short stacking energy: -358.784 Base-Backbone interact. energy: -0.372 local terms energy: -434.396031 where: bonds (distance) C4'-P energy: -93.046 bonds (distance) P-C4' energy: -100.955 flat angles C4'-P-C4' energy: -89.353 flat angles P-C4'-P energy: -58.311 tors. eta vs tors. theta energy: -92.731 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: 4, replica: 9 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1138.992450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.992450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.992450 (E_RNA) where: Base-Base interactions energy: -729.596 where: short stacking energy: -343.729 Base-Backbone interact. energy: -0.374 local terms energy: -409.022563 where: bonds (distance) C4'-P energy: -77.795 bonds (distance) P-C4' energy: -87.060 flat angles C4'-P-C4' energy: -95.074 flat angles P-C4'-P energy: -57.440 tors. eta vs tors. theta energy: -91.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1008.073806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.073806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.073806 (E_RNA) where: Base-Base interactions energy: -602.271 where: short stacking energy: -289.535 Base-Backbone interact. energy: -1.919 local terms energy: -403.883922 where: bonds (distance) C4'-P energy: -95.382 bonds (distance) P-C4' energy: -91.776 flat angles C4'-P-C4' energy: -90.728 flat angles P-C4'-P energy: -57.701 tors. eta vs tors. theta energy: -68.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -882.524093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.524093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.524093 (E_RNA) where: Base-Base interactions energy: -534.937 where: short stacking energy: -264.211 Base-Backbone interact. energy: -1.028 local terms energy: -346.558682 where: bonds (distance) C4'-P energy: -72.855 bonds (distance) P-C4' energy: -76.648 flat angles C4'-P-C4' energy: -92.390 flat angles P-C4'-P energy: -53.192 tors. eta vs tors. theta energy: -51.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -714.966055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.966055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.966055 (E_RNA) where: Base-Base interactions energy: -406.565 where: short stacking energy: -214.701 Base-Backbone interact. energy: 1.769 local terms energy: -310.169514 where: bonds (distance) C4'-P energy: -69.323 bonds (distance) P-C4' energy: -85.682 flat angles C4'-P-C4' energy: -75.678 flat angles P-C4'-P energy: -52.757 tors. eta vs tors. theta energy: -26.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -625.104075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.104075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.104075 (E_RNA) where: Base-Base interactions energy: -332.570 where: short stacking energy: -176.555 Base-Backbone interact. energy: 3.617 local terms energy: -296.150408 where: bonds (distance) C4'-P energy: -97.455 bonds (distance) P-C4' energy: -73.149 flat angles C4'-P-C4' energy: -69.995 flat angles P-C4'-P energy: -44.593 tors. eta vs tors. theta energy: -10.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -580.091717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.091717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.091717 (E_RNA) where: Base-Base interactions energy: -284.091 where: short stacking energy: -157.837 Base-Backbone interact. energy: 1.824 local terms energy: -297.825004 where: bonds (distance) C4'-P energy: -76.561 bonds (distance) P-C4' energy: -96.343 flat angles C4'-P-C4' energy: -69.357 flat angles P-C4'-P energy: -43.127 tors. eta vs tors. theta energy: -12.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -411.335165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.335165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.335165 (E_RNA) where: Base-Base interactions energy: -147.657 where: short stacking energy: -109.532 Base-Backbone interact. energy: 2.671 local terms energy: -266.349784 where: bonds (distance) C4'-P energy: -81.613 bonds (distance) P-C4' energy: -84.456 flat angles C4'-P-C4' energy: -70.379 flat angles P-C4'-P energy: -61.148 tors. eta vs tors. theta energy: 31.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1353.036267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.036267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.036267 (E_RNA) where: Base-Base interactions energy: -860.048 where: short stacking energy: -416.435 Base-Backbone interact. energy: -1.520 local terms energy: -491.468412 where: bonds (distance) C4'-P energy: -91.105 bonds (distance) P-C4' energy: -93.234 flat angles C4'-P-C4' energy: -114.358 flat angles P-C4'-P energy: -69.014 tors. eta vs tors. theta energy: -123.759 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: 10 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1294.613669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.613669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.613669 (E_RNA) where: Base-Base interactions energy: -843.866 where: short stacking energy: -390.336 Base-Backbone interact. energy: -2.222 local terms energy: -448.525897 where: bonds (distance) C4'-P energy: -95.861 bonds (distance) P-C4' energy: -96.248 flat angles C4'-P-C4' energy: -97.140 flat angles P-C4'-P energy: -55.242 tors. eta vs tors. theta energy: -104.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1198.732330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.732330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.732330 (E_RNA) where: Base-Base interactions energy: -757.477 where: short stacking energy: -374.345 Base-Backbone interact. energy: 0.757 local terms energy: -442.012195 where: bonds (distance) C4'-P energy: -95.906 bonds (distance) P-C4' energy: -104.202 flat angles C4'-P-C4' energy: -93.587 flat angles P-C4'-P energy: -55.981 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: 9 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1091.896435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.896435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.896435 (E_RNA) where: Base-Base interactions energy: -680.671 where: short stacking energy: -312.038 Base-Backbone interact. energy: -2.090 local terms energy: -409.135481 where: bonds (distance) C4'-P energy: -88.214 bonds (distance) P-C4' energy: -92.087 flat angles C4'-P-C4' energy: -99.639 flat angles P-C4'-P energy: -59.047 tors. eta vs tors. theta energy: -70.148 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: 5, replica: 8 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -995.287155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.287155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.287155 (E_RNA) where: Base-Base interactions energy: -597.146 where: short stacking energy: -285.712 Base-Backbone interact. energy: 1.891 local terms energy: -400.031627 where: bonds (distance) C4'-P energy: -89.990 bonds (distance) P-C4' energy: -89.679 flat angles C4'-P-C4' energy: -91.681 flat angles P-C4'-P energy: -63.891 tors. eta vs tors. theta energy: -64.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -884.673689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.673689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.673689 (E_RNA) where: Base-Base interactions energy: -527.794 where: short stacking energy: -283.167 Base-Backbone interact. energy: -1.928 local terms energy: -354.951162 where: bonds (distance) C4'-P energy: -75.565 bonds (distance) P-C4' energy: -90.092 flat angles C4'-P-C4' energy: -85.671 flat angles P-C4'-P energy: -56.873 tors. eta vs tors. theta energy: -46.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -675.590204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.590204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.590204 (E_RNA) where: Base-Base interactions energy: -355.918 where: short stacking energy: -195.540 Base-Backbone interact. energy: -0.485 local terms energy: -319.186981 where: bonds (distance) C4'-P energy: -78.555 bonds (distance) P-C4' energy: -85.881 flat angles C4'-P-C4' energy: -72.576 flat angles P-C4'-P energy: -57.654 tors. eta vs tors. theta energy: -24.521 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: 1 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -605.821624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.821624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.821624 (E_RNA) where: Base-Base interactions energy: -344.908 where: short stacking energy: -154.950 Base-Backbone interact. energy: 8.069 local terms energy: -268.982711 where: bonds (distance) C4'-P energy: -75.506 bonds (distance) P-C4' energy: -74.952 flat angles C4'-P-C4' energy: -80.543 flat angles P-C4'-P energy: -49.352 tors. eta vs tors. theta energy: 11.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -584.765119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.765119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.765119 (E_RNA) where: Base-Base interactions energy: -299.722 where: short stacking energy: -181.550 Base-Backbone interact. energy: -1.466 local terms energy: -283.576508 where: bonds (distance) C4'-P energy: -73.503 bonds (distance) P-C4' energy: -83.911 flat angles C4'-P-C4' energy: -65.776 flat angles P-C4'-P energy: -40.788 tors. eta vs tors. theta energy: -19.598 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: 10, replica: 7 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -398.616009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.616009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.616009 (E_RNA) where: Base-Base interactions energy: -151.726 where: short stacking energy: -109.999 Base-Backbone interact. energy: -5.017 local terms energy: -241.873145 where: bonds (distance) C4'-P energy: -74.045 bonds (distance) P-C4' energy: -85.096 flat angles C4'-P-C4' energy: -59.296 flat angles P-C4'-P energy: -33.493 tors. eta vs tors. theta energy: 10.058 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: 2 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1379.753302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.753302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.753302 (E_RNA) where: Base-Base interactions energy: -879.540 where: short stacking energy: -432.315 Base-Backbone interact. energy: -0.667 local terms energy: -499.546247 where: bonds (distance) C4'-P energy: -92.333 bonds (distance) P-C4' energy: -96.592 flat angles C4'-P-C4' energy: -104.856 flat angles P-C4'-P energy: -73.769 tors. eta vs tors. theta energy: -131.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1325.609446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.609446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.609446 (E_RNA) where: Base-Base interactions energy: -873.653 where: short stacking energy: -412.008 Base-Backbone interact. energy: -2.791 local terms energy: -449.165899 where: bonds (distance) C4'-P energy: -81.906 bonds (distance) P-C4' energy: -88.096 flat angles C4'-P-C4' energy: -99.813 flat angles P-C4'-P energy: -63.433 tors. eta vs tors. theta energy: -115.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1190.915805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.915805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.915805 (E_RNA) where: Base-Base interactions energy: -742.841 where: short stacking energy: -349.472 Base-Backbone interact. energy: -2.111 local terms energy: -445.963689 where: bonds (distance) C4'-P energy: -88.139 bonds (distance) P-C4' energy: -94.866 flat angles C4'-P-C4' energy: -93.869 flat angles P-C4'-P energy: -62.148 tors. eta vs tors. theta energy: -106.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1095.364340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.364340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.364340 (E_RNA) where: Base-Base interactions energy: -688.653 where: short stacking energy: -314.727 Base-Backbone interact. energy: 1.269 local terms energy: -407.980910 where: bonds (distance) C4'-P energy: -86.525 bonds (distance) P-C4' energy: -88.153 flat angles C4'-P-C4' energy: -98.281 flat angles P-C4'-P energy: -61.400 tors. eta vs tors. theta energy: -73.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1012.868708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.868708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.868708 (E_RNA) where: Base-Base interactions energy: -606.038 where: short stacking energy: -306.260 Base-Backbone interact. energy: 0.718 local terms energy: -407.549191 where: bonds (distance) C4'-P energy: -84.786 bonds (distance) P-C4' energy: -86.617 flat angles C4'-P-C4' energy: -95.526 flat angles P-C4'-P energy: -59.357 tors. eta vs tors. theta energy: -81.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -854.104197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.104197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.104197 (E_RNA) where: Base-Base interactions energy: -482.087 where: short stacking energy: -240.898 Base-Backbone interact. energy: -0.165 local terms energy: -371.852204 where: bonds (distance) C4'-P energy: -82.981 bonds (distance) P-C4' energy: -93.924 flat angles C4'-P-C4' energy: -85.899 flat angles P-C4'-P energy: -57.791 tors. eta vs tors. theta energy: -51.256 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: 4 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -695.650101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.650101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.650101 (E_RNA) where: Base-Base interactions energy: -355.088 where: short stacking energy: -187.266 Base-Backbone interact. energy: -1.158 local terms energy: -339.403865 where: bonds (distance) C4'-P energy: -75.822 bonds (distance) P-C4' energy: -100.981 flat angles C4'-P-C4' energy: -79.402 flat angles P-C4'-P energy: -51.835 tors. eta vs tors. theta energy: -31.364 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: 8, replica: 1 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -671.197230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.197230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.197230 (E_RNA) where: Base-Base interactions energy: -360.772 where: short stacking energy: -189.292 Base-Backbone interact. energy: -2.418 local terms energy: -308.007616 where: bonds (distance) C4'-P energy: -76.882 bonds (distance) P-C4' energy: -88.283 flat angles C4'-P-C4' energy: -81.995 flat angles P-C4'-P energy: -42.261 tors. eta vs tors. theta energy: -18.587 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: 3 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -625.929593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.929593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.929593 (E_RNA) where: Base-Base interactions energy: -359.179 where: short stacking energy: -219.466 Base-Backbone interact. energy: -1.236 local terms energy: -265.514581 where: bonds (distance) C4'-P energy: -60.452 bonds (distance) P-C4' energy: -82.811 flat angles C4'-P-C4' energy: -64.588 flat angles P-C4'-P energy: -30.725 tors. eta vs tors. theta energy: -26.939 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: 7 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -380.448237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.448237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.448237 (E_RNA) where: Base-Base interactions energy: -135.202 where: short stacking energy: -106.747 Base-Backbone interact. energy: -1.101 local terms energy: -244.144913 where: bonds (distance) C4'-P energy: -80.999 bonds (distance) P-C4' energy: -80.400 flat angles C4'-P-C4' energy: -59.884 flat angles P-C4'-P energy: -44.779 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: 2 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1362.023689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.023689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.023689 (E_RNA) where: Base-Base interactions energy: -848.464 where: short stacking energy: -430.263 Base-Backbone interact. energy: -0.448 local terms energy: -513.112587 where: bonds (distance) C4'-P energy: -105.335 bonds (distance) P-C4' energy: -100.612 flat angles C4'-P-C4' energy: -99.004 flat angles P-C4'-P energy: -71.746 tors. eta vs tors. theta energy: -136.415 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: 10 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1322.244834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.244834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.244834 (E_RNA) where: Base-Base interactions energy: -887.443 where: short stacking energy: -401.082 Base-Backbone interact. energy: -1.295 local terms energy: -433.506842 where: bonds (distance) C4'-P energy: -86.960 bonds (distance) P-C4' energy: -92.684 flat angles C4'-P-C4' energy: -96.813 flat angles P-C4'-P energy: -56.991 tors. eta vs tors. theta energy: -100.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1199.706563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.706563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.706563 (E_RNA) where: Base-Base interactions energy: -761.134 where: short stacking energy: -348.304 Base-Backbone interact. energy: -2.765 local terms energy: -435.807837 where: bonds (distance) C4'-P energy: -86.667 bonds (distance) P-C4' energy: -99.770 flat angles C4'-P-C4' energy: -98.397 flat angles P-C4'-P energy: -51.330 tors. eta vs tors. theta energy: -99.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1112.887831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.887831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.887831 (E_RNA) where: Base-Base interactions energy: -714.673 where: short stacking energy: -311.032 Base-Backbone interact. energy: 2.485 local terms energy: -400.699636 where: bonds (distance) C4'-P energy: -78.902 bonds (distance) P-C4' energy: -101.766 flat angles C4'-P-C4' energy: -99.496 flat angles P-C4'-P energy: -52.965 tors. eta vs tors. theta energy: -67.571 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: 5, replica: 8 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1018.173692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.173692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.173692 (E_RNA) where: Base-Base interactions energy: -638.893 where: short stacking energy: -292.434 Base-Backbone interact. energy: -2.036 local terms energy: -377.244747 where: bonds (distance) C4'-P energy: -82.587 bonds (distance) P-C4' energy: -83.886 flat angles C4'-P-C4' energy: -90.515 flat angles P-C4'-P energy: -57.417 tors. eta vs tors. theta energy: -62.841 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: 6 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -842.392767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.392767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.392767 (E_RNA) where: Base-Base interactions energy: -499.359 where: short stacking energy: -265.390 Base-Backbone interact. energy: 0.591 local terms energy: -343.624050 where: bonds (distance) C4'-P energy: -67.912 bonds (distance) P-C4' energy: -79.123 flat angles C4'-P-C4' energy: -97.534 flat angles P-C4'-P energy: -54.433 tors. eta vs tors. theta energy: -44.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -664.811345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.811345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.811345 (E_RNA) where: Base-Base interactions energy: -385.298 where: short stacking energy: -199.523 Base-Backbone interact. energy: -0.187 local terms energy: -279.326295 where: bonds (distance) C4'-P energy: -71.733 bonds (distance) P-C4' energy: -70.616 flat angles C4'-P-C4' energy: -70.803 flat angles P-C4'-P energy: -48.641 tors. eta vs tors. theta energy: -17.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -666.567732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.567732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.567732 (E_RNA) where: Base-Base interactions energy: -367.374 where: short stacking energy: -197.064 Base-Backbone interact. energy: 2.147 local terms energy: -301.341216 where: bonds (distance) C4'-P energy: -78.127 bonds (distance) P-C4' energy: -81.056 flat angles C4'-P-C4' energy: -75.535 flat angles P-C4'-P energy: -55.458 tors. eta vs tors. theta energy: -11.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -642.855468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.855468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.855468 (E_RNA) where: Base-Base interactions energy: -341.460 where: short stacking energy: -182.974 Base-Backbone interact. energy: -1.606 local terms energy: -299.789537 where: bonds (distance) C4'-P energy: -82.074 bonds (distance) P-C4' energy: -76.600 flat angles C4'-P-C4' energy: -79.299 flat angles P-C4'-P energy: -44.894 tors. eta vs tors. theta energy: -16.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -393.334735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.334735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.334735 (E_RNA) where: Base-Base interactions energy: -144.392 where: short stacking energy: -122.040 Base-Backbone interact. energy: -1.320 local terms energy: -247.622635 where: bonds (distance) C4'-P energy: -64.302 bonds (distance) P-C4' energy: -84.581 flat angles C4'-P-C4' energy: -78.115 flat angles P-C4'-P energy: -32.119 tors. eta vs tors. theta energy: 11.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1395.615423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.615423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.615423 (E_RNA) where: Base-Base interactions energy: -883.243 where: short stacking energy: -417.467 Base-Backbone interact. energy: -0.233 local terms energy: -512.140079 where: bonds (distance) C4'-P energy: -98.862 bonds (distance) P-C4' energy: -98.613 flat angles C4'-P-C4' energy: -111.544 flat angles P-C4'-P energy: -73.151 tors. eta vs tors. theta energy: -129.970 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: 10 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1309.245476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.245476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.245476 (E_RNA) where: Base-Base interactions energy: -845.869 where: short stacking energy: -387.574 Base-Backbone interact. energy: -1.495 local terms energy: -461.882210 where: bonds (distance) C4'-P energy: -87.481 bonds (distance) P-C4' energy: -105.781 flat angles C4'-P-C4' energy: -99.139 flat angles P-C4'-P energy: -65.734 tors. eta vs tors. theta energy: -103.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1196.523289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.523289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.523289 (E_RNA) where: Base-Base interactions energy: -751.082 where: short stacking energy: -338.420 Base-Backbone interact. energy: -3.949 local terms energy: -441.492330 where: bonds (distance) C4'-P energy: -81.298 bonds (distance) P-C4' energy: -92.560 flat angles C4'-P-C4' energy: -103.159 flat angles P-C4'-P energy: -73.506 tors. eta vs tors. theta energy: -90.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1107.495089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.495089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.495089 (E_RNA) where: Base-Base interactions energy: -704.156 where: short stacking energy: -317.448 Base-Backbone interact. energy: 1.286 local terms energy: -404.625332 where: bonds (distance) C4'-P energy: -80.245 bonds (distance) P-C4' energy: -92.974 flat angles C4'-P-C4' energy: -101.897 flat angles P-C4'-P energy: -65.354 tors. eta vs tors. theta energy: -64.155 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: 8 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1053.868268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.868268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.868268 (E_RNA) where: Base-Base interactions energy: -665.034 where: short stacking energy: -312.707 Base-Backbone interact. energy: 1.413 local terms energy: -390.247118 where: bonds (distance) C4'-P energy: -87.580 bonds (distance) P-C4' energy: -100.348 flat angles C4'-P-C4' energy: -87.354 flat angles P-C4'-P energy: -46.143 tors. eta vs tors. theta energy: -68.822 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: 6, replica: 6 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -836.202959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.202959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.202959 (E_RNA) where: Base-Base interactions energy: -474.691 where: short stacking energy: -257.738 Base-Backbone interact. energy: -0.974 local terms energy: -360.537413 where: bonds (distance) C4'-P energy: -75.676 bonds (distance) P-C4' energy: -86.654 flat angles C4'-P-C4' energy: -89.175 flat angles P-C4'-P energy: -51.479 tors. eta vs tors. theta energy: -57.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -657.794883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.794883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.794883 (E_RNA) where: Base-Base interactions energy: -331.411 where: short stacking energy: -187.484 Base-Backbone interact. energy: 3.195 local terms energy: -329.579348 where: bonds (distance) C4'-P energy: -82.091 bonds (distance) P-C4' energy: -97.592 flat angles C4'-P-C4' energy: -67.823 flat angles P-C4'-P energy: -63.609 tors. eta vs tors. theta energy: -18.464 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: 3 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -677.749015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.749015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.749015 (E_RNA) where: Base-Base interactions energy: -366.826 where: short stacking energy: -193.175 Base-Backbone interact. energy: -1.246 local terms energy: -309.677175 where: bonds (distance) C4'-P energy: -71.589 bonds (distance) P-C4' energy: -90.023 flat angles C4'-P-C4' energy: -86.781 flat angles P-C4'-P energy: -36.607 tors. eta vs tors. theta energy: -24.679 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: 1 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -581.336633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.336633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.336633 (E_RNA) where: Base-Base interactions energy: -321.962 where: short stacking energy: -173.993 Base-Backbone interact. energy: -2.212 local terms energy: -257.162184 where: bonds (distance) C4'-P energy: -80.512 bonds (distance) P-C4' energy: -70.527 flat angles C4'-P-C4' energy: -54.957 flat angles P-C4'-P energy: -36.402 tors. eta vs tors. theta energy: -14.765 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: 7 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -373.101071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.101071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.101071 (E_RNA) where: Base-Base interactions energy: -114.526 where: short stacking energy: -109.131 Base-Backbone interact. energy: -1.885 local terms energy: -256.689530 where: bonds (distance) C4'-P energy: -84.664 bonds (distance) P-C4' energy: -77.894 flat angles C4'-P-C4' energy: -57.933 flat angles P-C4'-P energy: -44.256 tors. eta vs tors. theta energy: 8.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1374.200586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.200586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.200586 (E_RNA) where: Base-Base interactions energy: -900.936 where: short stacking energy: -440.125 Base-Backbone interact. energy: -0.466 local terms energy: -472.798868 where: bonds (distance) C4'-P energy: -83.719 bonds (distance) P-C4' energy: -104.514 flat angles C4'-P-C4' energy: -101.594 flat angles P-C4'-P energy: -61.228 tors. eta vs tors. theta energy: -121.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1362.644254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.644254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.644254 (E_RNA) where: Base-Base interactions energy: -911.837 where: short stacking energy: -401.041 Base-Backbone interact. energy: -4.490 local terms energy: -446.316908 where: bonds (distance) C4'-P energy: -94.921 bonds (distance) P-C4' energy: -88.871 flat angles C4'-P-C4' energy: -91.093 flat angles P-C4'-P energy: -66.817 tors. eta vs tors. theta energy: -104.614 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: 5 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1202.912446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.912446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.912446 (E_RNA) where: Base-Base interactions energy: -769.097 where: short stacking energy: -359.496 Base-Backbone interact. energy: -0.533 local terms energy: -433.282860 where: bonds (distance) C4'-P energy: -90.028 bonds (distance) P-C4' energy: -96.847 flat angles C4'-P-C4' energy: -92.175 flat angles P-C4'-P energy: -55.900 tors. eta vs tors. theta energy: -98.332 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: 4, replica: 9 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1096.325090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.325090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.325090 (E_RNA) where: Base-Base interactions energy: -712.931 where: short stacking energy: -330.034 Base-Backbone interact. energy: -0.548 local terms energy: -382.846802 where: bonds (distance) C4'-P energy: -86.798 bonds (distance) P-C4' energy: -80.051 flat angles C4'-P-C4' energy: -80.013 flat angles P-C4'-P energy: -58.328 tors. eta vs tors. theta energy: -77.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1024.967714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.967714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.967714 (E_RNA) where: Base-Base interactions energy: -631.243 where: short stacking energy: -282.911 Base-Backbone interact. energy: -1.803 local terms energy: -391.921779 where: bonds (distance) C4'-P energy: -85.173 bonds (distance) P-C4' energy: -97.594 flat angles C4'-P-C4' energy: -84.497 flat angles P-C4'-P energy: -61.775 tors. eta vs tors. theta energy: -62.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -820.501273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.501273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.501273 (E_RNA) where: Base-Base interactions energy: -467.490 where: short stacking energy: -248.159 Base-Backbone interact. energy: -2.013 local terms energy: -350.998761 where: bonds (distance) C4'-P energy: -83.544 bonds (distance) P-C4' energy: -94.168 flat angles C4'-P-C4' energy: -76.606 flat angles P-C4'-P energy: -56.466 tors. eta vs tors. theta energy: -40.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -698.207121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.207121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.207121 (E_RNA) where: Base-Base interactions energy: -392.391 where: short stacking energy: -206.719 Base-Backbone interact. energy: -2.111 local terms energy: -303.704380 where: bonds (distance) C4'-P energy: -88.896 bonds (distance) P-C4' energy: -77.066 flat angles C4'-P-C4' energy: -75.528 flat angles P-C4'-P energy: -41.743 tors. eta vs tors. theta energy: -20.472 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: 4 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -628.724436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.724436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.724436 (E_RNA) where: Base-Base interactions energy: -326.049 where: short stacking energy: -166.957 Base-Backbone interact. energy: -0.994 local terms energy: -301.680506 where: bonds (distance) C4'-P energy: -85.069 bonds (distance) P-C4' energy: -79.092 flat angles C4'-P-C4' energy: -86.459 flat angles P-C4'-P energy: -35.258 tors. eta vs tors. theta energy: -15.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -627.086976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.086976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.086976 (E_RNA) where: Base-Base interactions energy: -310.400 where: short stacking energy: -169.780 Base-Backbone interact. energy: -2.303 local terms energy: -314.384130 where: bonds (distance) C4'-P energy: -74.511 bonds (distance) P-C4' energy: -90.429 flat angles C4'-P-C4' energy: -92.125 flat angles P-C4'-P energy: -32.461 tors. eta vs tors. theta energy: -24.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -381.897388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.897388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.897388 (E_RNA) where: Base-Base interactions energy: -157.730 where: short stacking energy: -126.027 Base-Backbone interact. energy: 3.301 local terms energy: -227.467623 where: bonds (distance) C4'-P energy: -57.980 bonds (distance) P-C4' energy: -83.237 flat angles C4'-P-C4' energy: -61.641 flat angles P-C4'-P energy: -29.818 tors. eta vs tors. theta energy: 5.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1377.233665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.233665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.233665 (E_RNA) where: Base-Base interactions energy: -885.823 where: short stacking energy: -427.206 Base-Backbone interact. energy: -0.107 local terms energy: -491.303281 where: bonds (distance) C4'-P energy: -88.208 bonds (distance) P-C4' energy: -102.651 flat angles C4'-P-C4' energy: -111.212 flat angles P-C4'-P energy: -64.797 tors. eta vs tors. theta energy: -124.435 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: 10 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1341.480704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.480704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.480704 (E_RNA) where: Base-Base interactions energy: -894.464 where: short stacking energy: -382.403 Base-Backbone interact. energy: -3.972 local terms energy: -443.044505 where: bonds (distance) C4'-P energy: -90.503 bonds (distance) P-C4' energy: -99.951 flat angles C4'-P-C4' energy: -97.689 flat angles P-C4'-P energy: -63.396 tors. eta vs tors. theta energy: -91.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1203.897769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.897769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.897769 (E_RNA) where: Base-Base interactions energy: -786.331 where: short stacking energy: -389.081 Base-Backbone interact. energy: -4.408 local terms energy: -413.159011 where: bonds (distance) C4'-P energy: -81.572 bonds (distance) P-C4' energy: -63.565 flat angles C4'-P-C4' energy: -104.200 flat angles P-C4'-P energy: -69.009 tors. eta vs tors. theta energy: -94.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1129.697078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.697078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.697078 (E_RNA) where: Base-Base interactions energy: -730.382 where: short stacking energy: -356.663 Base-Backbone interact. energy: -3.987 local terms energy: -395.328341 where: bonds (distance) C4'-P energy: -82.574 bonds (distance) P-C4' energy: -98.958 flat angles C4'-P-C4' energy: -86.910 flat angles P-C4'-P energy: -48.759 tors. eta vs tors. theta energy: -78.127 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: 8 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1029.938363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.938363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.938363 (E_RNA) where: Base-Base interactions energy: -651.817 where: short stacking energy: -309.246 Base-Backbone interact. energy: -1.724 local terms energy: -376.397332 where: bonds (distance) C4'-P energy: -75.294 bonds (distance) P-C4' energy: -86.009 flat angles C4'-P-C4' energy: -73.417 flat angles P-C4'-P energy: -53.493 tors. eta vs tors. theta energy: -88.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -852.967598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.967598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.967598 (E_RNA) where: Base-Base interactions energy: -526.606 where: short stacking energy: -245.354 Base-Backbone interact. energy: 1.143 local terms energy: -327.504143 where: bonds (distance) C4'-P energy: -71.932 bonds (distance) P-C4' energy: -82.344 flat angles C4'-P-C4' energy: -93.792 flat angles P-C4'-P energy: -44.779 tors. eta vs tors. theta energy: -34.657 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: 3 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -738.867511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.867511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.867511 (E_RNA) where: Base-Base interactions energy: -405.333 where: short stacking energy: -219.601 Base-Backbone interact. energy: -1.176 local terms energy: -332.358497 where: bonds (distance) C4'-P energy: -82.859 bonds (distance) P-C4' energy: -83.542 flat angles C4'-P-C4' energy: -84.887 flat angles P-C4'-P energy: -50.725 tors. eta vs tors. theta energy: -30.345 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: 59 Temperature: 1.250000 Total energy: -673.910451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.910451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.910451 (E_RNA) where: Base-Base interactions energy: -336.057 where: short stacking energy: -194.140 Base-Backbone interact. energy: 1.948 local terms energy: -339.801296 where: bonds (distance) C4'-P energy: -90.984 bonds (distance) P-C4' energy: -91.994 flat angles C4'-P-C4' energy: -83.963 flat angles P-C4'-P energy: -38.333 tors. eta vs tors. theta energy: -34.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -560.971659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.971659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.971659 (E_RNA) where: Base-Base interactions energy: -283.737 where: short stacking energy: -151.667 Base-Backbone interact. energy: -1.227 local terms energy: -276.007369 where: bonds (distance) C4'-P energy: -69.945 bonds (distance) P-C4' energy: -89.535 flat angles C4'-P-C4' energy: -72.273 flat angles P-C4'-P energy: -45.982 tors. eta vs tors. theta energy: 1.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -369.317903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.317903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.317903 (E_RNA) where: Base-Base interactions energy: -109.740 where: short stacking energy: -94.523 Base-Backbone interact. energy: 1.292 local terms energy: -260.869147 where: bonds (distance) C4'-P energy: -75.678 bonds (distance) P-C4' energy: -96.486 flat angles C4'-P-C4' energy: -52.871 flat angles P-C4'-P energy: -41.697 tors. eta vs tors. theta energy: 5.863 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: 10 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1407.094404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.094404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.094404 (E_RNA) where: Base-Base interactions energy: -918.171 where: short stacking energy: -401.185 Base-Backbone interact. energy: -4.721 local terms energy: -484.202740 where: bonds (distance) C4'-P energy: -99.434 bonds (distance) P-C4' energy: -101.916 flat angles C4'-P-C4' energy: -110.540 flat angles P-C4'-P energy: -59.494 tors. eta vs tors. theta energy: -112.819 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: 2 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1375.081349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.081349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.081349 (E_RNA) where: Base-Base interactions energy: -870.782 where: short stacking energy: -404.793 Base-Backbone interact. energy: -0.042 local terms energy: -504.257632 where: bonds (distance) C4'-P energy: -98.911 bonds (distance) P-C4' energy: -89.612 flat angles C4'-P-C4' energy: -106.598 flat angles P-C4'-P energy: -81.131 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: 3, replica: 5 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1181.475974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.475974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.475974 (E_RNA) where: Base-Base interactions energy: -770.183 where: short stacking energy: -377.771 Base-Backbone interact. energy: -0.878 local terms energy: -410.414345 where: bonds (distance) C4'-P energy: -74.480 bonds (distance) P-C4' energy: -88.679 flat angles C4'-P-C4' energy: -96.589 flat angles P-C4'-P energy: -63.396 tors. eta vs tors. theta energy: -87.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1180.030546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.030546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.030546 (E_RNA) where: Base-Base interactions energy: -766.726 where: short stacking energy: -363.066 Base-Backbone interact. energy: -1.662 local terms energy: -411.642149 where: bonds (distance) C4'-P energy: -79.122 bonds (distance) P-C4' energy: -90.315 flat angles C4'-P-C4' energy: -95.650 flat angles P-C4'-P energy: -60.090 tors. eta vs tors. theta energy: -86.465 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: 6 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -971.716734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.716734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.716734 (E_RNA) where: Base-Base interactions energy: -581.820 where: short stacking energy: -286.459 Base-Backbone interact. energy: -2.787 local terms energy: -387.109761 where: bonds (distance) C4'-P energy: -73.300 bonds (distance) P-C4' energy: -101.372 flat angles C4'-P-C4' energy: -97.792 flat angles P-C4'-P energy: -49.463 tors. eta vs tors. theta energy: -65.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -999.202286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.202286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.202286 (E_RNA) where: Base-Base interactions energy: -617.120 where: short stacking energy: -269.277 Base-Backbone interact. energy: 2.943 local terms energy: -385.024480 where: bonds (distance) C4'-P energy: -89.208 bonds (distance) P-C4' energy: -90.536 flat angles C4'-P-C4' energy: -95.724 flat angles P-C4'-P energy: -46.702 tors. eta vs tors. theta energy: -62.854 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: 3 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -755.403745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.403745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.403745 (E_RNA) where: Base-Base interactions energy: -430.951 where: short stacking energy: -241.459 Base-Backbone interact. energy: -3.178 local terms energy: -321.274450 where: bonds (distance) C4'-P energy: -84.148 bonds (distance) P-C4' energy: -80.023 flat angles C4'-P-C4' energy: -69.212 flat angles P-C4'-P energy: -48.082 tors. eta vs tors. theta energy: -39.809 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: 60 Temperature: 1.250000 Total energy: -649.681742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.681742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.681742 (E_RNA) where: Base-Base interactions energy: -355.523 where: short stacking energy: -184.305 Base-Backbone interact. energy: -1.427 local terms energy: -292.731710 where: bonds (distance) C4'-P energy: -70.450 bonds (distance) P-C4' energy: -79.994 flat angles C4'-P-C4' energy: -82.672 flat angles P-C4'-P energy: -39.600 tors. eta vs tors. theta energy: -20.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -557.335945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.335945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.335945 (E_RNA) where: Base-Base interactions energy: -297.519 where: short stacking energy: -181.928 Base-Backbone interact. energy: 0.011 local terms energy: -259.828086 where: bonds (distance) C4'-P energy: -74.680 bonds (distance) P-C4' energy: -73.218 flat angles C4'-P-C4' energy: -69.282 flat angles P-C4'-P energy: -30.435 tors. eta vs tors. theta energy: -12.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -370.565929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.565929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.565929 (E_RNA) where: Base-Base interactions energy: -137.975 where: short stacking energy: -103.450 Base-Backbone interact. energy: 0.080 local terms energy: -232.670851 where: bonds (distance) C4'-P energy: -63.938 bonds (distance) P-C4' energy: -90.792 flat angles C4'-P-C4' energy: -49.546 flat angles P-C4'-P energy: -33.634 tors. eta vs tors. theta energy: 5.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1432.920119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.920119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.920119 (E_RNA) where: Base-Base interactions energy: -940.502 where: short stacking energy: -418.972 Base-Backbone interact. energy: -4.430 local terms energy: -487.987623 where: bonds (distance) C4'-P energy: -95.543 bonds (distance) P-C4' energy: -105.234 flat angles C4'-P-C4' energy: -106.634 flat angles P-C4'-P energy: -64.586 tors. eta vs tors. theta energy: -115.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1353.705155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.705155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.705155 (E_RNA) where: Base-Base interactions energy: -903.599 where: short stacking energy: -437.556 Base-Backbone interact. energy: -0.192 local terms energy: -449.914610 where: bonds (distance) C4'-P energy: -94.846 bonds (distance) P-C4' energy: -86.959 flat angles C4'-P-C4' energy: -86.264 flat angles P-C4'-P energy: -64.642 tors. eta vs tors. theta energy: -117.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1175.379544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.379544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.379544 (E_RNA) where: Base-Base interactions energy: -733.511 where: short stacking energy: -346.562 Base-Backbone interact. energy: -0.961 local terms energy: -440.907818 where: bonds (distance) C4'-P energy: -94.818 bonds (distance) P-C4' energy: -91.739 flat angles C4'-P-C4' energy: -106.707 flat angles P-C4'-P energy: -59.036 tors. eta vs tors. theta energy: -88.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1114.490285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.490285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.490285 (E_RNA) where: Base-Base interactions energy: -709.939 where: short stacking energy: -335.139 Base-Backbone interact. energy: 0.953 local terms energy: -405.504352 where: bonds (distance) C4'-P energy: -77.862 bonds (distance) P-C4' energy: -91.950 flat angles C4'-P-C4' energy: -103.686 flat angles P-C4'-P energy: -48.674 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: 61 Temperature: 1.100000 Total energy: -952.281681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.281681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.281681 (E_RNA) where: Base-Base interactions energy: -569.210 where: short stacking energy: -310.208 Base-Backbone interact. energy: -2.561 local terms energy: -380.510671 where: bonds (distance) C4'-P energy: -80.971 bonds (distance) P-C4' energy: -81.335 flat angles C4'-P-C4' energy: -95.205 flat angles P-C4'-P energy: -54.153 tors. eta vs tors. theta energy: -68.846 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: 8 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -909.715202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.715202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.715202 (E_RNA) where: Base-Base interactions energy: -558.231 where: short stacking energy: -269.245 Base-Backbone interact. energy: 1.369 local terms energy: -352.853031 where: bonds (distance) C4'-P energy: -68.687 bonds (distance) P-C4' energy: -97.974 flat angles C4'-P-C4' energy: -82.086 flat angles P-C4'-P energy: -49.624 tors. eta vs tors. theta energy: -54.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -721.419109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.419109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.419109 (E_RNA) where: Base-Base interactions energy: -399.659 where: short stacking energy: -216.936 Base-Backbone interact. energy: -1.486 local terms energy: -320.273716 where: bonds (distance) C4'-P energy: -87.936 bonds (distance) P-C4' energy: -92.782 flat angles C4'-P-C4' energy: -71.671 flat angles P-C4'-P energy: -45.516 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: 61 Temperature: 1.250000 Total energy: -645.656186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.656186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.656186 (E_RNA) where: Base-Base interactions energy: -344.149 where: short stacking energy: -175.941 Base-Backbone interact. energy: 3.362 local terms energy: -304.869390 where: bonds (distance) C4'-P energy: -77.644 bonds (distance) P-C4' energy: -89.587 flat angles C4'-P-C4' energy: -76.669 flat angles P-C4'-P energy: -47.729 tors. eta vs tors. theta energy: -13.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -555.339854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.339854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.339854 (E_RNA) where: Base-Base interactions energy: -291.509 where: short stacking energy: -177.737 Base-Backbone interact. energy: -2.049 local terms energy: -261.781378 where: bonds (distance) C4'-P energy: -74.488 bonds (distance) P-C4' energy: -95.165 flat angles C4'-P-C4' energy: -64.351 flat angles P-C4'-P energy: -23.751 tors. eta vs tors. theta energy: -4.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -362.618965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.618965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.618965 (E_RNA) where: Base-Base interactions energy: -124.051 where: short stacking energy: -109.037 Base-Backbone interact. energy: -3.557 local terms energy: -235.011353 where: bonds (distance) C4'-P energy: -67.377 bonds (distance) P-C4' energy: -65.724 flat angles C4'-P-C4' energy: -61.851 flat angles P-C4'-P energy: -49.833 tors. eta vs tors. theta energy: 9.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1443.690738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.690738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.690738 (E_RNA) where: Base-Base interactions energy: -965.034 where: short stacking energy: -448.612 Base-Backbone interact. energy: -2.480 local terms energy: -476.176712 where: bonds (distance) C4'-P energy: -74.173 bonds (distance) P-C4' energy: -102.337 flat angles C4'-P-C4' energy: -108.936 flat angles P-C4'-P energy: -68.209 tors. eta vs tors. theta energy: -122.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1336.879570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.879570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.879570 (E_RNA) where: Base-Base interactions energy: -863.372 where: short stacking energy: -418.722 Base-Backbone interact. energy: 0.956 local terms energy: -474.463521 where: bonds (distance) C4'-P energy: -92.913 bonds (distance) P-C4' energy: -95.084 flat angles C4'-P-C4' energy: -103.593 flat angles P-C4'-P energy: -67.950 tors. eta vs tors. theta energy: -114.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1231.037116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.037116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.037116 (E_RNA) where: Base-Base interactions energy: -790.555 where: short stacking energy: -408.341 Base-Backbone interact. energy: -0.693 local terms energy: -439.789347 where: bonds (distance) C4'-P energy: -80.918 bonds (distance) P-C4' energy: -76.643 flat angles C4'-P-C4' energy: -103.506 flat angles P-C4'-P energy: -58.867 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: 9 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1153.099474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.099474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.099474 (E_RNA) where: Base-Base interactions energy: -765.206 where: short stacking energy: -345.031 Base-Backbone interact. energy: -0.109 local terms energy: -387.785158 where: bonds (distance) C4'-P energy: -88.875 bonds (distance) P-C4' energy: -74.851 flat angles C4'-P-C4' energy: -96.122 flat angles P-C4'-P energy: -52.841 tors. eta vs tors. theta energy: -75.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -910.793894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.793894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.793894 (E_RNA) where: Base-Base interactions energy: -530.166 where: short stacking energy: -262.871 Base-Backbone interact. energy: -1.163 local terms energy: -379.464776 where: bonds (distance) C4'-P energy: -95.073 bonds (distance) P-C4' energy: -96.209 flat angles C4'-P-C4' energy: -84.853 flat angles P-C4'-P energy: -55.213 tors. eta vs tors. theta energy: -48.116 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: 62 Temperature: 1.150000 Total energy: -976.426112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.426112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.426112 (E_RNA) where: Base-Base interactions energy: -567.893 where: short stacking energy: -280.931 Base-Backbone interact. energy: -3.960 local terms energy: -404.572944 where: bonds (distance) C4'-P energy: -86.648 bonds (distance) P-C4' energy: -86.161 flat angles C4'-P-C4' energy: -108.935 flat angles P-C4'-P energy: -64.218 tors. eta vs tors. theta energy: -58.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -757.662526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.662526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.662526 (E_RNA) where: Base-Base interactions energy: -453.464 where: short stacking energy: -242.828 Base-Backbone interact. energy: -2.339 local terms energy: -301.859167 where: bonds (distance) C4'-P energy: -69.924 bonds (distance) P-C4' energy: -86.443 flat angles C4'-P-C4' energy: -74.740 flat angles P-C4'-P energy: -33.813 tors. eta vs tors. theta energy: -36.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -615.622934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.622934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.622934 (E_RNA) where: Base-Base interactions energy: -331.077 where: short stacking energy: -164.842 Base-Backbone interact. energy: 2.439 local terms energy: -286.985133 where: bonds (distance) C4'-P energy: -68.341 bonds (distance) P-C4' energy: -82.231 flat angles C4'-P-C4' energy: -67.402 flat angles P-C4'-P energy: -54.715 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: 9, replica: 1 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -559.958050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.958050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.958050 (E_RNA) where: Base-Base interactions energy: -245.576 where: short stacking energy: -142.481 Base-Backbone interact. energy: 2.304 local terms energy: -316.686247 where: bonds (distance) C4'-P energy: -93.737 bonds (distance) P-C4' energy: -90.919 flat angles C4'-P-C4' energy: -76.552 flat angles P-C4'-P energy: -54.326 tors. eta vs tors. theta energy: -1.153 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: 62 Temperature: 1.350000 Total energy: -368.021494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.021494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.021494 (E_RNA) where: Base-Base interactions energy: -116.443 where: short stacking energy: -105.051 Base-Backbone interact. energy: -1.477 local terms energy: -250.101156 where: bonds (distance) C4'-P energy: -81.898 bonds (distance) P-C4' energy: -75.278 flat angles C4'-P-C4' energy: -77.193 flat angles P-C4'-P energy: -33.042 tors. eta vs tors. theta energy: 17.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1434.663567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.663567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.663567 (E_RNA) where: Base-Base interactions energy: -941.948 where: short stacking energy: -420.599 Base-Backbone interact. energy: -2.491 local terms energy: -490.224355 where: bonds (distance) C4'-P energy: -94.145 bonds (distance) P-C4' energy: -93.611 flat angles C4'-P-C4' energy: -117.005 flat angles P-C4'-P energy: -74.480 tors. eta vs tors. theta energy: -110.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1340.756612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.756612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.756612 (E_RNA) where: Base-Base interactions energy: -853.135 where: short stacking energy: -430.016 Base-Backbone interact. energy: -0.232 local terms energy: -487.388865 where: bonds (distance) C4'-P energy: -104.886 bonds (distance) P-C4' energy: -85.919 flat angles C4'-P-C4' energy: -101.003 flat angles P-C4'-P energy: -71.317 tors. eta vs tors. theta energy: -124.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1204.708269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.708269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.708269 (E_RNA) where: Base-Base interactions energy: -743.997 where: short stacking energy: -367.603 Base-Backbone interact. energy: -2.107 local terms energy: -458.604176 where: bonds (distance) C4'-P energy: -97.642 bonds (distance) P-C4' energy: -94.037 flat angles C4'-P-C4' energy: -97.403 flat angles P-C4'-P energy: -56.010 tors. eta vs tors. theta energy: -113.511 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: 9 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1154.744636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.744636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.744636 (E_RNA) where: Base-Base interactions energy: -723.174 where: short stacking energy: -319.177 Base-Backbone interact. energy: -1.912 local terms energy: -429.658624 where: bonds (distance) C4'-P energy: -88.182 bonds (distance) P-C4' energy: -93.659 flat angles C4'-P-C4' energy: -103.754 flat angles P-C4'-P energy: -64.475 tors. eta vs tors. theta energy: -79.589 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: 6 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -923.875342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.875342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.875342 (E_RNA) where: Base-Base interactions energy: -554.112 where: short stacking energy: -263.788 Base-Backbone interact. energy: -0.012 local terms energy: -369.751338 where: bonds (distance) C4'-P energy: -88.541 bonds (distance) P-C4' energy: -79.208 flat angles C4'-P-C4' energy: -83.585 flat angles P-C4'-P energy: -54.638 tors. eta vs tors. theta energy: -63.779 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: 8 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -929.350857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.350857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.350857 (E_RNA) where: Base-Base interactions energy: -570.658 where: short stacking energy: -272.896 Base-Backbone interact. energy: 0.174 local terms energy: -358.866569 where: bonds (distance) C4'-P energy: -74.724 bonds (distance) P-C4' energy: -84.313 flat angles C4'-P-C4' energy: -79.221 flat angles P-C4'-P energy: -58.940 tors. eta vs tors. theta energy: -61.668 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: 63 Temperature: 1.200000 Total energy: -772.289595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.289595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.289595 (E_RNA) where: Base-Base interactions energy: -457.959 where: short stacking energy: -221.355 Base-Backbone interact. energy: -1.719 local terms energy: -312.611178 where: bonds (distance) C4'-P energy: -93.504 bonds (distance) P-C4' energy: -76.422 flat angles C4'-P-C4' energy: -69.454 flat angles P-C4'-P energy: -52.650 tors. eta vs tors. theta energy: -20.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -615.161066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.161066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.161066 (E_RNA) where: Base-Base interactions energy: -330.009 where: short stacking energy: -178.827 Base-Backbone interact. energy: -1.437 local terms energy: -283.714912 where: bonds (distance) C4'-P energy: -74.010 bonds (distance) P-C4' energy: -86.337 flat angles C4'-P-C4' energy: -69.099 flat angles P-C4'-P energy: -44.012 tors. eta vs tors. theta energy: -10.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -582.749080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.749080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.749080 (E_RNA) where: Base-Base interactions energy: -267.867 where: short stacking energy: -165.331 Base-Backbone interact. energy: -1.695 local terms energy: -313.187629 where: bonds (distance) C4'-P energy: -77.783 bonds (distance) P-C4' energy: -86.605 flat angles C4'-P-C4' energy: -84.519 flat angles P-C4'-P energy: -51.088 tors. eta vs tors. theta energy: -13.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -369.680259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.680259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.680259 (E_RNA) where: Base-Base interactions energy: -134.378 where: short stacking energy: -114.521 Base-Backbone interact. energy: -0.935 local terms energy: -234.367061 where: bonds (distance) C4'-P energy: -72.848 bonds (distance) P-C4' energy: -67.935 flat angles C4'-P-C4' energy: -59.241 flat angles P-C4'-P energy: -50.944 tors. eta vs tors. theta energy: 16.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1425.722120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.722120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.722120 (E_RNA) where: Base-Base interactions energy: -949.743 where: short stacking energy: -415.129 Base-Backbone interact. energy: -0.866 local terms energy: -475.112362 where: bonds (distance) C4'-P energy: -92.193 bonds (distance) P-C4' energy: -96.991 flat angles C4'-P-C4' energy: -109.342 flat angles P-C4'-P energy: -70.785 tors. eta vs tors. theta energy: -105.802 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: 64 Temperature: 0.950000 Total energy: -1328.886113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.886113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.886113 (E_RNA) where: Base-Base interactions energy: -857.781 where: short stacking energy: -414.592 Base-Backbone interact. energy: -2.007 local terms energy: -469.098748 where: bonds (distance) C4'-P energy: -87.578 bonds (distance) P-C4' energy: -85.831 flat angles C4'-P-C4' energy: -112.503 flat angles P-C4'-P energy: -59.233 tors. eta vs tors. theta energy: -123.954 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: 5 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1211.602165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.602165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.602165 (E_RNA) where: Base-Base interactions energy: -785.413 where: short stacking energy: -374.028 Base-Backbone interact. energy: -0.083 local terms energy: -426.107023 where: bonds (distance) C4'-P energy: -77.353 bonds (distance) P-C4' energy: -95.794 flat angles C4'-P-C4' energy: -96.912 flat angles P-C4'-P energy: -66.386 tors. eta vs tors. theta energy: -89.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1162.715034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.715034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.715034 (E_RNA) where: Base-Base interactions energy: -727.045 where: short stacking energy: -348.928 Base-Backbone interact. energy: -1.384 local terms energy: -434.285687 where: bonds (distance) C4'-P energy: -96.592 bonds (distance) P-C4' energy: -95.461 flat angles C4'-P-C4' energy: -95.833 flat angles P-C4'-P energy: -51.487 tors. eta vs tors. theta energy: -94.914 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: 5, replica: 8 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -963.475835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.475835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.475835 (E_RNA) where: Base-Base interactions energy: -570.189 where: short stacking energy: -264.817 Base-Backbone interact. energy: -1.652 local terms energy: -391.634980 where: bonds (distance) C4'-P energy: -104.556 bonds (distance) P-C4' energy: -84.299 flat angles C4'-P-C4' energy: -84.579 flat angles P-C4'-P energy: -62.286 tors. eta vs tors. theta energy: -55.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -920.756920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.756920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.756920 (E_RNA) where: Base-Base interactions energy: -510.299 where: short stacking energy: -280.285 Base-Backbone interact. energy: -0.770 local terms energy: -409.688577 where: bonds (distance) C4'-P energy: -91.025 bonds (distance) P-C4' energy: -96.785 flat angles C4'-P-C4' energy: -97.924 flat angles P-C4'-P energy: -67.550 tors. eta vs tors. theta energy: -56.404 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: 3 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -778.958061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.958061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.958061 (E_RNA) where: Base-Base interactions energy: -428.778 where: short stacking energy: -234.395 Base-Backbone interact. energy: 1.717 local terms energy: -351.896539 where: bonds (distance) C4'-P energy: -95.149 bonds (distance) P-C4' energy: -85.634 flat angles C4'-P-C4' energy: -86.509 flat angles P-C4'-P energy: -38.144 tors. eta vs tors. theta energy: -46.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -658.208427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.208427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.208427 (E_RNA) where: Base-Base interactions energy: -375.244 where: short stacking energy: -185.674 Base-Backbone interact. energy: 1.562 local terms energy: -284.526514 where: bonds (distance) C4'-P energy: -73.218 bonds (distance) P-C4' energy: -62.435 flat angles C4'-P-C4' energy: -83.872 flat angles P-C4'-P energy: -45.054 tors. eta vs tors. theta energy: -19.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -533.665709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.665709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.665709 (E_RNA) where: Base-Base interactions energy: -256.571 where: short stacking energy: -142.987 Base-Backbone interact. energy: 0.252 local terms energy: -277.346900 where: bonds (distance) C4'-P energy: -66.316 bonds (distance) P-C4' energy: -90.909 flat angles C4'-P-C4' energy: -87.680 flat angles P-C4'-P energy: -35.960 tors. eta vs tors. theta energy: 3.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -401.207989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.207989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.207989 (E_RNA) where: Base-Base interactions energy: -144.397 where: short stacking energy: -114.259 Base-Backbone interact. energy: 1.789 local terms energy: -258.599484 where: bonds (distance) C4'-P energy: -84.527 bonds (distance) P-C4' energy: -87.493 flat angles C4'-P-C4' energy: -71.646 flat angles P-C4'-P energy: -39.244 tors. eta vs tors. theta energy: 24.311 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: 1, replica: 10 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1426.288558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.288558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.288558 (E_RNA) where: Base-Base interactions energy: -941.178 where: short stacking energy: -409.573 Base-Backbone interact. energy: -5.515 local terms energy: -479.596239 where: bonds (distance) C4'-P energy: -101.810 bonds (distance) P-C4' energy: -100.076 flat angles C4'-P-C4' energy: -104.100 flat angles P-C4'-P energy: -59.896 tors. eta vs tors. theta energy: -113.714 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: 2, replica: 2 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1324.786888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.786888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.786888 (E_RNA) where: Base-Base interactions energy: -858.171 where: short stacking energy: -435.643 Base-Backbone interact. energy: -2.307 local terms energy: -464.309734 where: bonds (distance) C4'-P energy: -89.201 bonds (distance) P-C4' energy: -98.783 flat angles C4'-P-C4' energy: -90.140 flat angles P-C4'-P energy: -64.159 tors. eta vs tors. theta energy: -122.026 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: 5 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1200.739744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.739744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.739744 (E_RNA) where: Base-Base interactions energy: -761.500 where: short stacking energy: -354.244 Base-Backbone interact. energy: 0.693 local terms energy: -439.931983 where: bonds (distance) C4'-P energy: -84.774 bonds (distance) P-C4' energy: -105.139 flat angles C4'-P-C4' energy: -102.123 flat angles P-C4'-P energy: -61.392 tors. eta vs tors. theta energy: -86.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1154.117044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.117044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.117044 (E_RNA) where: Base-Base interactions energy: -705.528 where: short stacking energy: -344.169 Base-Backbone interact. energy: -1.843 local terms energy: -446.745901 where: bonds (distance) C4'-P energy: -85.967 bonds (distance) P-C4' energy: -101.182 flat angles C4'-P-C4' energy: -99.983 flat angles P-C4'-P energy: -67.179 tors. eta vs tors. theta energy: -92.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -930.297395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.297395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.297395 (E_RNA) where: Base-Base interactions energy: -564.878 where: short stacking energy: -298.845 Base-Backbone interact. energy: -2.074 local terms energy: -363.345674 where: bonds (distance) C4'-P energy: -67.230 bonds (distance) P-C4' energy: -75.420 flat angles C4'-P-C4' energy: -89.816 flat angles P-C4'-P energy: -61.410 tors. eta vs tors. theta energy: -69.469 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: 3 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -855.952385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.952385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.952385 (E_RNA) where: Base-Base interactions energy: -512.942 where: short stacking energy: -269.161 Base-Backbone interact. energy: 6.481 local terms energy: -349.491462 where: bonds (distance) C4'-P energy: -81.436 bonds (distance) P-C4' energy: -86.724 flat angles C4'-P-C4' energy: -82.674 flat angles P-C4'-P energy: -45.873 tors. eta vs tors. theta energy: -52.784 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: 6 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -840.021950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.021950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.021950 (E_RNA) where: Base-Base interactions energy: -524.586 where: short stacking energy: -250.280 Base-Backbone interact. energy: -0.752 local terms energy: -314.684081 where: bonds (distance) C4'-P energy: -75.034 bonds (distance) P-C4' energy: -75.271 flat angles C4'-P-C4' energy: -71.502 flat angles P-C4'-P energy: -46.357 tors. eta vs tors. theta energy: -46.520 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: 4 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -666.376882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.376882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.376882 (E_RNA) where: Base-Base interactions energy: -364.504 where: short stacking energy: -205.776 Base-Backbone interact. energy: 4.129 local terms energy: -306.002849 where: bonds (distance) C4'-P energy: -74.989 bonds (distance) P-C4' energy: -85.453 flat angles C4'-P-C4' energy: -81.865 flat angles P-C4'-P energy: -35.954 tors. eta vs tors. theta energy: -27.742 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: 1 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -547.025878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.025878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.025878 (E_RNA) where: Base-Base interactions energy: -264.330 where: short stacking energy: -153.479 Base-Backbone interact. energy: 6.665 local terms energy: -289.360769 where: bonds (distance) C4'-P energy: -84.369 bonds (distance) P-C4' energy: -78.637 flat angles C4'-P-C4' energy: -72.595 flat angles P-C4'-P energy: -40.971 tors. eta vs tors. theta energy: -12.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -397.023642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.023642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.023642 (E_RNA) where: Base-Base interactions energy: -140.544 where: short stacking energy: -117.853 Base-Backbone interact. energy: 7.883 local terms energy: -264.362360 where: bonds (distance) C4'-P energy: -75.619 bonds (distance) P-C4' energy: -76.046 flat angles C4'-P-C4' energy: -63.559 flat angles P-C4'-P energy: -53.036 tors. eta vs tors. theta energy: 3.898 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: 10 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1390.884473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.884473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.884473 (E_RNA) where: Base-Base interactions energy: -925.956 where: short stacking energy: -409.244 Base-Backbone interact. energy: 0.613 local terms energy: -465.541269 where: bonds (distance) C4'-P energy: -100.629 bonds (distance) P-C4' energy: -89.709 flat angles C4'-P-C4' energy: -100.137 flat angles P-C4'-P energy: -70.700 tors. eta vs tors. theta energy: -104.367 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: 2 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1322.103966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.103966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.103966 (E_RNA) where: Base-Base interactions energy: -856.848 where: short stacking energy: -426.534 Base-Backbone interact. energy: 1.485 local terms energy: -466.741394 where: bonds (distance) C4'-P energy: -93.970 bonds (distance) P-C4' energy: -86.793 flat angles C4'-P-C4' energy: -98.660 flat angles P-C4'-P energy: -73.775 tors. eta vs tors. theta energy: -113.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1241.271198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.271198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.271198 (E_RNA) where: Base-Base interactions energy: -788.335 where: short stacking energy: -368.199 Base-Backbone interact. energy: -2.029 local terms energy: -450.906938 where: bonds (distance) C4'-P energy: -92.253 bonds (distance) P-C4' energy: -88.629 flat angles C4'-P-C4' energy: -98.065 flat angles P-C4'-P energy: -67.475 tors. eta vs tors. theta energy: -104.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1177.350531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.350531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.350531 (E_RNA) where: Base-Base interactions energy: -752.412 where: short stacking energy: -351.235 Base-Backbone interact. energy: -1.017 local terms energy: -423.921749 where: bonds (distance) C4'-P energy: -92.423 bonds (distance) P-C4' energy: -84.471 flat angles C4'-P-C4' energy: -98.947 flat angles P-C4'-P energy: -60.777 tors. eta vs tors. theta energy: -87.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -972.359085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.359085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.359085 (E_RNA) where: Base-Base interactions energy: -608.426 where: short stacking energy: -325.418 Base-Backbone interact. energy: 1.068 local terms energy: -365.000615 where: bonds (distance) C4'-P energy: -68.626 bonds (distance) P-C4' energy: -73.066 flat angles C4'-P-C4' energy: -88.688 flat angles P-C4'-P energy: -58.224 tors. eta vs tors. theta energy: -76.398 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: 8 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -881.219048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.219048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.219048 (E_RNA) where: Base-Base interactions energy: -511.064 where: short stacking energy: -259.438 Base-Backbone interact. energy: 0.036 local terms energy: -370.190853 where: bonds (distance) C4'-P energy: -81.441 bonds (distance) P-C4' energy: -90.664 flat angles C4'-P-C4' energy: -91.850 flat angles P-C4'-P energy: -50.634 tors. eta vs tors. theta energy: -55.602 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: 7, replica: 6 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -841.750553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.750553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.750553 (E_RNA) where: Base-Base interactions energy: -518.529 where: short stacking energy: -244.305 Base-Backbone interact. energy: 0.037 local terms energy: -323.258377 where: bonds (distance) C4'-P energy: -73.318 bonds (distance) P-C4' energy: -84.282 flat angles C4'-P-C4' energy: -76.345 flat angles P-C4'-P energy: -48.357 tors. eta vs tors. theta energy: -40.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -626.223484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.223484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.223484 (E_RNA) where: Base-Base interactions energy: -306.395 where: short stacking energy: -161.361 Base-Backbone interact. energy: -2.464 local terms energy: -317.364857 where: bonds (distance) C4'-P energy: -74.502 bonds (distance) P-C4' energy: -92.312 flat angles C4'-P-C4' energy: -82.677 flat angles P-C4'-P energy: -48.046 tors. eta vs tors. theta energy: -19.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -546.004334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.004334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.004334 (E_RNA) where: Base-Base interactions energy: -268.059 where: short stacking energy: -153.725 Base-Backbone interact. energy: -0.390 local terms energy: -277.555796 where: bonds (distance) C4'-P energy: -90.989 bonds (distance) P-C4' energy: -82.559 flat angles C4'-P-C4' energy: -63.278 flat angles P-C4'-P energy: -49.622 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: 10, replica: 7 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -424.057134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.057134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.057134 (E_RNA) where: Base-Base interactions energy: -167.495 where: short stacking energy: -112.866 Base-Backbone interact. energy: -1.263 local terms energy: -255.299146 where: bonds (distance) C4'-P energy: -80.829 bonds (distance) P-C4' energy: -87.338 flat angles C4'-P-C4' energy: -66.876 flat angles P-C4'-P energy: -31.831 tors. eta vs tors. theta energy: 11.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1401.911829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.911829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.911829 (E_RNA) where: Base-Base interactions energy: -918.731 where: short stacking energy: -425.999 Base-Backbone interact. energy: -1.973 local terms energy: -481.207873 where: bonds (distance) C4'-P energy: -83.838 bonds (distance) P-C4' energy: -108.632 flat angles C4'-P-C4' energy: -105.679 flat angles P-C4'-P energy: -64.058 tors. eta vs tors. theta energy: -119.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1354.737539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.737539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.737539 (E_RNA) where: Base-Base interactions energy: -868.619 where: short stacking energy: -406.371 Base-Backbone interact. energy: -1.632 local terms energy: -484.486316 where: bonds (distance) C4'-P energy: -95.417 bonds (distance) P-C4' energy: -98.137 flat angles C4'-P-C4' energy: -92.890 flat angles P-C4'-P energy: -72.909 tors. eta vs tors. theta energy: -125.133 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: 5 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1215.593006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.593006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.593006 (E_RNA) where: Base-Base interactions energy: -775.423 where: short stacking energy: -355.534 Base-Backbone interact. energy: -0.267 local terms energy: -439.902920 where: bonds (distance) C4'-P energy: -89.419 bonds (distance) P-C4' energy: -103.000 flat angles C4'-P-C4' energy: -96.003 flat angles P-C4'-P energy: -64.965 tors. eta vs tors. theta energy: -86.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1177.365125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.365125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.365125 (E_RNA) where: Base-Base interactions energy: -744.175 where: short stacking energy: -355.234 Base-Backbone interact. energy: -1.998 local terms energy: -431.191961 where: bonds (distance) C4'-P energy: -78.042 bonds (distance) P-C4' energy: -95.350 flat angles C4'-P-C4' energy: -99.101 flat angles P-C4'-P energy: -70.718 tors. eta vs tors. theta energy: -87.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -991.468534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.468534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.468534 (E_RNA) where: Base-Base interactions energy: -577.213 where: short stacking energy: -291.152 Base-Backbone interact. energy: -0.671 local terms energy: -413.584510 where: bonds (distance) C4'-P energy: -89.489 bonds (distance) P-C4' energy: -104.213 flat angles C4'-P-C4' energy: -92.812 flat angles P-C4'-P energy: -56.567 tors. eta vs tors. theta energy: -70.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -929.190275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.190275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.190275 (E_RNA) where: Base-Base interactions energy: -565.331 where: short stacking energy: -282.740 Base-Backbone interact. energy: -0.587 local terms energy: -363.272712 where: bonds (distance) C4'-P energy: -79.687 bonds (distance) P-C4' energy: -80.658 flat angles C4'-P-C4' energy: -89.922 flat angles P-C4'-P energy: -47.201 tors. eta vs tors. theta energy: -65.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -893.944747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.944747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.944747 (E_RNA) where: Base-Base interactions energy: -552.115 where: short stacking energy: -268.856 Base-Backbone interact. energy: -1.988 local terms energy: -339.842124 where: bonds (distance) C4'-P energy: -74.362 bonds (distance) P-C4' energy: -88.376 flat angles C4'-P-C4' energy: -78.359 flat angles P-C4'-P energy: -46.717 tors. eta vs tors. theta energy: -52.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -640.547505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.547505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.547505 (E_RNA) where: Base-Base interactions energy: -365.972 where: short stacking energy: -182.141 Base-Backbone interact. energy: -1.580 local terms energy: -272.994955 where: bonds (distance) C4'-P energy: -72.854 bonds (distance) P-C4' energy: -77.948 flat angles C4'-P-C4' energy: -60.723 flat angles P-C4'-P energy: -39.478 tors. eta vs tors. theta energy: -21.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -522.442705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.442705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.442705 (E_RNA) where: Base-Base interactions energy: -267.057 where: short stacking energy: -171.661 Base-Backbone interact. energy: -1.457 local terms energy: -253.928770 where: bonds (distance) C4'-P energy: -75.474 bonds (distance) P-C4' energy: -83.747 flat angles C4'-P-C4' energy: -70.428 flat angles P-C4'-P energy: -15.774 tors. eta vs tors. theta energy: -8.506 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: 67 Temperature: 1.350000 Total energy: -432.533864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.533864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.533864 (E_RNA) where: Base-Base interactions energy: -195.490 where: short stacking energy: -114.188 Base-Backbone interact. energy: -2.234 local terms energy: -234.810420 where: bonds (distance) C4'-P energy: -56.237 bonds (distance) P-C4' energy: -89.819 flat angles C4'-P-C4' energy: -60.555 flat angles P-C4'-P energy: -48.085 tors. eta vs tors. theta energy: 19.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1384.738523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.738523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.738523 (E_RNA) where: Base-Base interactions energy: -902.570 where: short stacking energy: -406.307 Base-Backbone interact. energy: -1.434 local terms energy: -480.734497 where: bonds (distance) C4'-P energy: -100.466 bonds (distance) P-C4' energy: -107.583 flat angles C4'-P-C4' energy: -106.020 flat angles P-C4'-P energy: -61.441 tors. eta vs tors. theta energy: -105.224 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: 2 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1360.310795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.310795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.310795 (E_RNA) where: Base-Base interactions energy: -873.275 where: short stacking energy: -424.719 Base-Backbone interact. energy: -2.354 local terms energy: -484.681106 where: bonds (distance) C4'-P energy: -93.330 bonds (distance) P-C4' energy: -90.081 flat angles C4'-P-C4' energy: -101.794 flat angles P-C4'-P energy: -68.660 tors. eta vs tors. theta energy: -130.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1162.567492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.567492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.567492 (E_RNA) where: Base-Base interactions energy: -758.399 where: short stacking energy: -331.826 Base-Backbone interact. energy: -0.943 local terms energy: -403.225002 where: bonds (distance) C4'-P energy: -98.796 bonds (distance) P-C4' energy: -80.280 flat angles C4'-P-C4' energy: -86.512 flat angles P-C4'-P energy: -55.259 tors. eta vs tors. theta energy: -82.378 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: 9 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1156.305709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.305709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.305709 (E_RNA) where: Base-Base interactions energy: -748.602 where: short stacking energy: -373.472 Base-Backbone interact. energy: 2.598 local terms energy: -410.300882 where: bonds (distance) C4'-P energy: -78.729 bonds (distance) P-C4' energy: -94.523 flat angles C4'-P-C4' energy: -99.759 flat angles P-C4'-P energy: -46.287 tors. eta vs tors. theta energy: -91.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -987.428880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.428880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.428880 (E_RNA) where: Base-Base interactions energy: -599.992 where: short stacking energy: -290.358 Base-Backbone interact. energy: 0.005 local terms energy: -387.441748 where: bonds (distance) C4'-P energy: -90.314 bonds (distance) P-C4' energy: -81.307 flat angles C4'-P-C4' energy: -89.159 flat angles P-C4'-P energy: -52.382 tors. eta vs tors. theta energy: -74.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -900.116350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.116350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.116350 (E_RNA) where: Base-Base interactions energy: -526.413 where: short stacking energy: -273.123 Base-Backbone interact. energy: 7.588 local terms energy: -381.291843 where: bonds (distance) C4'-P energy: -91.056 bonds (distance) P-C4' energy: -92.138 flat angles C4'-P-C4' energy: -88.062 flat angles P-C4'-P energy: -58.093 tors. eta vs tors. theta energy: -51.942 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: 7, replica: 8 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -865.809665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.809665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.809665 (E_RNA) where: Base-Base interactions energy: -518.789 where: short stacking energy: -229.192 Base-Backbone interact. energy: -2.601 local terms energy: -344.420126 where: bonds (distance) C4'-P energy: -71.837 bonds (distance) P-C4' energy: -88.596 flat angles C4'-P-C4' energy: -75.801 flat angles P-C4'-P energy: -55.311 tors. eta vs tors. theta energy: -52.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -668.498085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.498085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.498085 (E_RNA) where: Base-Base interactions energy: -371.767 where: short stacking energy: -215.421 Base-Backbone interact. energy: -2.041 local terms energy: -294.690096 where: bonds (distance) C4'-P energy: -70.489 bonds (distance) P-C4' energy: -88.000 flat angles C4'-P-C4' energy: -75.257 flat angles P-C4'-P energy: -46.112 tors. eta vs tors. theta energy: -14.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -538.974719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.974719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.974719 (E_RNA) where: Base-Base interactions energy: -280.747 where: short stacking energy: -146.989 Base-Backbone interact. energy: 8.685 local terms energy: -266.912056 where: bonds (distance) C4'-P energy: -72.599 bonds (distance) P-C4' energy: -96.930 flat angles C4'-P-C4' energy: -71.861 flat angles P-C4'-P energy: -30.291 tors. eta vs tors. theta energy: 4.770 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: 7 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -407.639578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.639578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.639578 (E_RNA) where: Base-Base interactions energy: -152.125 where: short stacking energy: -114.254 Base-Backbone interact. energy: -0.068 local terms energy: -255.446592 where: bonds (distance) C4'-P energy: -97.662 bonds (distance) P-C4' energy: -88.514 flat angles C4'-P-C4' energy: -69.267 flat angles P-C4'-P energy: -31.318 tors. eta vs tors. theta energy: 31.313 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: 10 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1374.372470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.372470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.372470 (E_RNA) where: Base-Base interactions energy: -910.887 where: short stacking energy: -412.199 Base-Backbone interact. energy: -1.306 local terms energy: -462.179717 where: bonds (distance) C4'-P energy: -76.387 bonds (distance) P-C4' energy: -88.791 flat angles C4'-P-C4' energy: -111.489 flat angles P-C4'-P energy: -74.502 tors. eta vs tors. theta energy: -111.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1381.623581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.623581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.623581 (E_RNA) where: Base-Base interactions energy: -889.279 where: short stacking energy: -420.744 Base-Backbone interact. energy: -1.253 local terms energy: -491.091461 where: bonds (distance) C4'-P energy: -91.505 bonds (distance) P-C4' energy: -94.426 flat angles C4'-P-C4' energy: -107.833 flat angles P-C4'-P energy: -62.218 tors. eta vs tors. theta energy: -135.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1166.617118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.617118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.617118 (E_RNA) where: Base-Base interactions energy: -773.278 where: short stacking energy: -329.034 Base-Backbone interact. energy: -0.650 local terms energy: -392.689002 where: bonds (distance) C4'-P energy: -84.857 bonds (distance) P-C4' energy: -77.029 flat angles C4'-P-C4' energy: -101.837 flat angles P-C4'-P energy: -52.602 tors. eta vs tors. theta energy: -76.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1170.529281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.529281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.529281 (E_RNA) where: Base-Base interactions energy: -776.362 where: short stacking energy: -367.841 Base-Backbone interact. energy: 2.648 local terms energy: -396.814631 where: bonds (distance) C4'-P energy: -75.922 bonds (distance) P-C4' energy: -96.944 flat angles C4'-P-C4' energy: -87.701 flat angles P-C4'-P energy: -50.628 tors. eta vs tors. theta energy: -85.620 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: 3 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -935.255017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.255017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.255017 (E_RNA) where: Base-Base interactions energy: -574.230 where: short stacking energy: -285.728 Base-Backbone interact. energy: -1.873 local terms energy: -359.151990 where: bonds (distance) C4'-P energy: -89.106 bonds (distance) P-C4' energy: -88.085 flat angles C4'-P-C4' energy: -87.308 flat angles P-C4'-P energy: -54.675 tors. eta vs tors. theta energy: -39.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -937.380239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.380239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.380239 (E_RNA) where: Base-Base interactions energy: -545.385 where: short stacking energy: -279.015 Base-Backbone interact. energy: -0.037 local terms energy: -391.958555 where: bonds (distance) C4'-P energy: -83.374 bonds (distance) P-C4' energy: -90.296 flat angles C4'-P-C4' energy: -91.926 flat angles P-C4'-P energy: -63.402 tors. eta vs tors. theta energy: -62.959 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: 7, replica: 8 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -845.177317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.177317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.177317 (E_RNA) where: Base-Base interactions energy: -508.406 where: short stacking energy: -258.563 Base-Backbone interact. energy: -0.766 local terms energy: -336.005438 where: bonds (distance) C4'-P energy: -71.195 bonds (distance) P-C4' energy: -82.255 flat angles C4'-P-C4' energy: -80.548 flat angles P-C4'-P energy: -55.644 tors. eta vs tors. theta energy: -46.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -647.164904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.164904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.164904 (E_RNA) where: Base-Base interactions energy: -323.794 where: short stacking energy: -178.038 Base-Backbone interact. energy: -0.785 local terms energy: -322.585626 where: bonds (distance) C4'-P energy: -83.742 bonds (distance) P-C4' energy: -80.954 flat angles C4'-P-C4' energy: -76.177 flat angles P-C4'-P energy: -52.519 tors. eta vs tors. theta energy: -29.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -529.192826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.192826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.192826 (E_RNA) where: Base-Base interactions energy: -235.909 where: short stacking energy: -140.335 Base-Backbone interact. energy: 0.483 local terms energy: -293.766377 where: bonds (distance) C4'-P energy: -76.076 bonds (distance) P-C4' energy: -72.732 flat angles C4'-P-C4' energy: -65.821 flat angles P-C4'-P energy: -65.288 tors. eta vs tors. theta energy: -13.850 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: 10, replica: 7 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -418.713357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.713357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.713357 (E_RNA) where: Base-Base interactions energy: -183.886 where: short stacking energy: -136.548 Base-Backbone interact. energy: 5.348 local terms energy: -240.174648 where: bonds (distance) C4'-P energy: -69.602 bonds (distance) P-C4' energy: -85.165 flat angles C4'-P-C4' energy: -64.957 flat angles P-C4'-P energy: -29.158 tors. eta vs tors. theta energy: 8.707 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: 10 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1407.678477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.678477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.678477 (E_RNA) where: Base-Base interactions energy: -937.727 where: short stacking energy: -424.484 Base-Backbone interact. energy: -1.411 local terms energy: -468.540454 where: bonds (distance) C4'-P energy: -100.567 bonds (distance) P-C4' energy: -84.152 flat angles C4'-P-C4' energy: -97.811 flat angles P-C4'-P energy: -71.206 tors. eta vs tors. theta energy: -114.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1343.293004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.293004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.293004 (E_RNA) where: Base-Base interactions energy: -863.895 where: short stacking energy: -421.899 Base-Backbone interact. energy: 4.077 local terms energy: -483.475275 where: bonds (distance) C4'-P energy: -89.665 bonds (distance) P-C4' energy: -95.910 flat angles C4'-P-C4' energy: -98.222 flat angles P-C4'-P energy: -69.905 tors. eta vs tors. theta energy: -129.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1217.743231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.743231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.743231 (E_RNA) where: Base-Base interactions energy: -779.865 where: short stacking energy: -378.465 Base-Backbone interact. energy: -2.152 local terms energy: -435.726150 where: bonds (distance) C4'-P energy: -93.743 bonds (distance) P-C4' energy: -79.122 flat angles C4'-P-C4' energy: -97.363 flat angles P-C4'-P energy: -74.234 tors. eta vs tors. theta energy: -91.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1181.910144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.910144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.910144 (E_RNA) where: Base-Base interactions energy: -765.863 where: short stacking energy: -341.707 Base-Backbone interact. energy: -0.185 local terms energy: -415.862205 where: bonds (distance) C4'-P energy: -79.254 bonds (distance) P-C4' energy: -91.733 flat angles C4'-P-C4' energy: -103.809 flat angles P-C4'-P energy: -51.525 tors. eta vs tors. theta energy: -89.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -962.976112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.976112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.976112 (E_RNA) where: Base-Base interactions energy: -581.038 where: short stacking energy: -307.290 Base-Backbone interact. energy: -1.207 local terms energy: -380.731064 where: bonds (distance) C4'-P energy: -81.541 bonds (distance) P-C4' energy: -75.027 flat angles C4'-P-C4' energy: -80.497 flat angles P-C4'-P energy: -61.462 tors. eta vs tors. theta energy: -82.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -894.006159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.006159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.006159 (E_RNA) where: Base-Base interactions energy: -526.582 where: short stacking energy: -261.852 Base-Backbone interact. energy: -0.710 local terms energy: -366.713842 where: bonds (distance) C4'-P energy: -86.262 bonds (distance) P-C4' energy: -81.482 flat angles C4'-P-C4' energy: -85.818 flat angles P-C4'-P energy: -58.603 tors. eta vs tors. theta energy: -54.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -888.846257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.846257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.846257 (E_RNA) where: Base-Base interactions energy: -558.426 where: short stacking energy: -253.931 Base-Backbone interact. energy: 0.876 local terms energy: -331.295879 where: bonds (distance) C4'-P energy: -84.832 bonds (distance) P-C4' energy: -74.036 flat angles C4'-P-C4' energy: -77.286 flat angles P-C4'-P energy: -38.998 tors. eta vs tors. theta energy: -56.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -673.054489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.054489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.054489 (E_RNA) where: Base-Base interactions energy: -370.586 where: short stacking energy: -202.533 Base-Backbone interact. energy: 4.953 local terms energy: -307.421226 where: bonds (distance) C4'-P energy: -81.007 bonds (distance) P-C4' energy: -80.282 flat angles C4'-P-C4' energy: -78.586 flat angles P-C4'-P energy: -34.602 tors. eta vs tors. theta energy: -32.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -547.680902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.680902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.680902 (E_RNA) where: Base-Base interactions energy: -264.056 where: short stacking energy: -153.483 Base-Backbone interact. energy: 2.893 local terms energy: -286.518179 where: bonds (distance) C4'-P energy: -93.266 bonds (distance) P-C4' energy: -77.227 flat angles C4'-P-C4' energy: -75.370 flat angles P-C4'-P energy: -42.567 tors. eta vs tors. theta energy: 1.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -416.155203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.155203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.155203 (E_RNA) where: Base-Base interactions energy: -175.535 where: short stacking energy: -139.333 Base-Backbone interact. energy: 2.337 local terms energy: -242.956776 where: bonds (distance) C4'-P energy: -72.057 bonds (distance) P-C4' energy: -75.839 flat angles C4'-P-C4' energy: -53.277 flat angles P-C4'-P energy: -40.157 tors. eta vs tors. theta energy: -1.628 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: 10 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1391.065013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.065013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.065013 (E_RNA) where: Base-Base interactions energy: -919.462 where: short stacking energy: -430.965 Base-Backbone interact. energy: -2.932 local terms energy: -468.670409 where: bonds (distance) C4'-P energy: -96.223 bonds (distance) P-C4' energy: -94.554 flat angles C4'-P-C4' energy: -95.240 flat angles P-C4'-P energy: -70.718 tors. eta vs tors. theta energy: -111.936 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: 2, replica: 2 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1353.660611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.660611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.660611 (E_RNA) where: Base-Base interactions energy: -876.374 where: short stacking energy: -433.518 Base-Backbone interact. energy: -0.161 local terms energy: -477.125101 where: bonds (distance) C4'-P energy: -90.754 bonds (distance) P-C4' energy: -90.874 flat angles C4'-P-C4' energy: -102.154 flat angles P-C4'-P energy: -66.529 tors. eta vs tors. theta energy: -126.814 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: 71 Temperature: 1.000000 Total energy: -1219.340535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.340535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.340535 (E_RNA) where: Base-Base interactions energy: -780.628 where: short stacking energy: -335.704 Base-Backbone interact. energy: -2.758 local terms energy: -435.954568 where: bonds (distance) C4'-P energy: -92.251 bonds (distance) P-C4' energy: -95.094 flat angles C4'-P-C4' energy: -106.057 flat angles P-C4'-P energy: -57.269 tors. eta vs tors. theta energy: -85.285 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: 71 Temperature: 1.050000 Total energy: -1161.005904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.005904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.005904 (E_RNA) where: Base-Base interactions energy: -736.029 where: short stacking energy: -343.430 Base-Backbone interact. energy: 0.600 local terms energy: -425.577078 where: bonds (distance) C4'-P energy: -102.143 bonds (distance) P-C4' energy: -88.450 flat angles C4'-P-C4' energy: -86.273 flat angles P-C4'-P energy: -57.496 tors. eta vs tors. theta energy: -91.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -969.656235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.656235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.656235 (E_RNA) where: Base-Base interactions energy: -572.048 where: short stacking energy: -303.736 Base-Backbone interact. energy: -1.288 local terms energy: -396.319903 where: bonds (distance) C4'-P energy: -91.372 bonds (distance) P-C4' energy: -81.670 flat angles C4'-P-C4' energy: -100.405 flat angles P-C4'-P energy: -46.317 tors. eta vs tors. theta energy: -76.556 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: 8 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -955.015250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.015250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.015250 (E_RNA) where: Base-Base interactions energy: -583.831 where: short stacking energy: -294.327 Base-Backbone interact. energy: 1.491 local terms energy: -372.675151 where: bonds (distance) C4'-P energy: -88.027 bonds (distance) P-C4' energy: -96.087 flat angles C4'-P-C4' energy: -76.124 flat angles P-C4'-P energy: -49.856 tors. eta vs tors. theta energy: -62.580 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: 3 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -855.619519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.619519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.619519 (E_RNA) where: Base-Base interactions energy: -518.169 where: short stacking energy: -257.159 Base-Backbone interact. energy: 0.654 local terms energy: -338.104330 where: bonds (distance) C4'-P energy: -88.028 bonds (distance) P-C4' energy: -75.450 flat angles C4'-P-C4' energy: -77.074 flat angles P-C4'-P energy: -43.433 tors. eta vs tors. theta energy: -54.119 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: 4 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -662.875136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.875136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.875136 (E_RNA) where: Base-Base interactions energy: -391.299 where: short stacking energy: -188.255 Base-Backbone interact. energy: -1.268 local terms energy: -270.307995 where: bonds (distance) C4'-P energy: -74.824 bonds (distance) P-C4' energy: -87.561 flat angles C4'-P-C4' energy: -55.177 flat angles P-C4'-P energy: -43.554 tors. eta vs tors. theta energy: -9.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -536.972734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.972734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.972734 (E_RNA) where: Base-Base interactions energy: -256.607 where: short stacking energy: -141.142 Base-Backbone interact. energy: 0.419 local terms energy: -280.785019 where: bonds (distance) C4'-P energy: -64.860 bonds (distance) P-C4' energy: -85.932 flat angles C4'-P-C4' energy: -81.370 flat angles P-C4'-P energy: -43.313 tors. eta vs tors. theta energy: -5.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -408.902752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.902752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.902752 (E_RNA) where: Base-Base interactions energy: -158.662 where: short stacking energy: -122.608 Base-Backbone interact. energy: 1.091 local terms energy: -251.331477 where: bonds (distance) C4'-P energy: -84.937 bonds (distance) P-C4' energy: -74.071 flat angles C4'-P-C4' energy: -57.496 flat angles P-C4'-P energy: -53.246 tors. eta vs tors. theta energy: 18.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1389.171821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.171821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.171821 (E_RNA) where: Base-Base interactions energy: -918.470 where: short stacking energy: -449.377 Base-Backbone interact. energy: 0.631 local terms energy: -471.332527 where: bonds (distance) C4'-P energy: -91.221 bonds (distance) P-C4' energy: -91.589 flat angles C4'-P-C4' energy: -93.349 flat angles P-C4'-P energy: -64.916 tors. eta vs tors. theta energy: -130.258 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: 10 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1380.654071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.654071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.654071 (E_RNA) where: Base-Base interactions energy: -909.899 where: short stacking energy: -416.902 Base-Backbone interact. energy: 0.823 local terms energy: -471.578597 where: bonds (distance) C4'-P energy: -93.943 bonds (distance) P-C4' energy: -102.547 flat angles C4'-P-C4' energy: -106.337 flat angles P-C4'-P energy: -68.333 tors. eta vs tors. theta energy: -100.418 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: 9 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1211.796887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.796887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.796887 (E_RNA) where: Base-Base interactions energy: -769.946 where: short stacking energy: -339.837 Base-Backbone interact. energy: -0.566 local terms energy: -441.285337 where: bonds (distance) C4'-P energy: -91.994 bonds (distance) P-C4' energy: -77.217 flat angles C4'-P-C4' energy: -106.690 flat angles P-C4'-P energy: -72.884 tors. eta vs tors. theta energy: -92.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1150.765288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.765288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.765288 (E_RNA) where: Base-Base interactions energy: -739.203 where: short stacking energy: -352.491 Base-Backbone interact. energy: 1.466 local terms energy: -413.028819 where: bonds (distance) C4'-P energy: -93.386 bonds (distance) P-C4' energy: -73.704 flat angles C4'-P-C4' energy: -89.674 flat angles P-C4'-P energy: -62.431 tors. eta vs tors. theta energy: -93.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -967.236836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.236836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.236836 (E_RNA) where: Base-Base interactions energy: -557.612 where: short stacking energy: -297.146 Base-Backbone interact. energy: -3.063 local terms energy: -406.562106 where: bonds (distance) C4'-P energy: -98.498 bonds (distance) P-C4' energy: -99.524 flat angles C4'-P-C4' energy: -71.611 flat angles P-C4'-P energy: -61.819 tors. eta vs tors. theta energy: -75.110 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: 8 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -961.802671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.802671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.802671 (E_RNA) where: Base-Base interactions energy: -597.708 where: short stacking energy: -271.954 Base-Backbone interact. energy: -1.105 local terms energy: -362.989590 where: bonds (distance) C4'-P energy: -76.397 bonds (distance) P-C4' energy: -89.365 flat angles C4'-P-C4' energy: -77.483 flat angles P-C4'-P energy: -45.512 tors. eta vs tors. theta energy: -74.231 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: 3 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -823.678273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.678273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.678273 (E_RNA) where: Base-Base interactions energy: -482.990 where: short stacking energy: -236.382 Base-Backbone interact. energy: -0.467 local terms energy: -340.221266 where: bonds (distance) C4'-P energy: -71.801 bonds (distance) P-C4' energy: -85.854 flat angles C4'-P-C4' energy: -79.171 flat angles P-C4'-P energy: -58.023 tors. eta vs tors. theta energy: -45.372 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: 72 Temperature: 1.250000 Total energy: -661.533740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.533740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.533740 (E_RNA) where: Base-Base interactions energy: -357.003 where: short stacking energy: -193.939 Base-Backbone interact. energy: 5.557 local terms energy: -310.088157 where: bonds (distance) C4'-P energy: -73.707 bonds (distance) P-C4' energy: -91.604 flat angles C4'-P-C4' energy: -68.915 flat angles P-C4'-P energy: -48.779 tors. eta vs tors. theta energy: -27.083 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: 1 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -543.591992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.591992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.591992 (E_RNA) where: Base-Base interactions energy: -263.692 where: short stacking energy: -153.086 Base-Backbone interact. energy: 3.341 local terms energy: -283.241044 where: bonds (distance) C4'-P energy: -70.703 bonds (distance) P-C4' energy: -87.701 flat angles C4'-P-C4' energy: -75.995 flat angles P-C4'-P energy: -35.880 tors. eta vs tors. theta energy: -12.962 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: 72 Temperature: 1.350000 Total energy: -403.605059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.605059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.605059 (E_RNA) where: Base-Base interactions energy: -150.555 where: short stacking energy: -101.781 Base-Backbone interact. energy: 0.679 local terms energy: -253.728818 where: bonds (distance) C4'-P energy: -68.491 bonds (distance) P-C4' energy: -70.914 flat angles C4'-P-C4' energy: -67.595 flat angles P-C4'-P energy: -55.552 tors. eta vs tors. theta energy: 8.823 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: 73 Temperature: 0.900000 Total energy: -1408.948095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.948095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.948095 (E_RNA) where: Base-Base interactions energy: -925.054 where: short stacking energy: -449.510 Base-Backbone interact. energy: -3.665 local terms energy: -480.228630 where: bonds (distance) C4'-P energy: -97.104 bonds (distance) P-C4' energy: -72.101 flat angles C4'-P-C4' energy: -109.999 flat angles P-C4'-P energy: -64.289 tors. eta vs tors. theta energy: -136.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1379.472054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.472054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.472054 (E_RNA) where: Base-Base interactions energy: -904.462 where: short stacking energy: -406.513 Base-Backbone interact. energy: -4.076 local terms energy: -470.934375 where: bonds (distance) C4'-P energy: -91.764 bonds (distance) P-C4' energy: -103.095 flat angles C4'-P-C4' energy: -101.106 flat angles P-C4'-P energy: -74.945 tors. eta vs tors. theta energy: -100.024 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: 9 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1197.346462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.346462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.346462 (E_RNA) where: Base-Base interactions energy: -754.610 where: short stacking energy: -346.733 Base-Backbone interact. energy: -1.207 local terms energy: -441.529616 where: bonds (distance) C4'-P energy: -91.101 bonds (distance) P-C4' energy: -99.046 flat angles C4'-P-C4' energy: -90.178 flat angles P-C4'-P energy: -75.044 tors. eta vs tors. theta energy: -86.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1190.647553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.647553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.647553 (E_RNA) where: Base-Base interactions energy: -754.350 where: short stacking energy: -372.275 Base-Backbone interact. energy: -1.925 local terms energy: -434.372580 where: bonds (distance) C4'-P energy: -101.977 bonds (distance) P-C4' energy: -80.846 flat angles C4'-P-C4' energy: -90.524 flat angles P-C4'-P energy: -61.116 tors. eta vs tors. theta energy: -99.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -951.786146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.786146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.786146 (E_RNA) where: Base-Base interactions energy: -581.168 where: short stacking energy: -300.927 Base-Backbone interact. energy: -1.159 local terms energy: -369.459880 where: bonds (distance) C4'-P energy: -87.889 bonds (distance) P-C4' energy: -76.343 flat angles C4'-P-C4' energy: -87.785 flat angles P-C4'-P energy: -55.501 tors. eta vs tors. theta energy: -61.942 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: 8 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -956.750945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.750945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.750945 (E_RNA) where: Base-Base interactions energy: -577.925 where: short stacking energy: -270.000 Base-Backbone interact. energy: -1.466 local terms energy: -377.360595 where: bonds (distance) C4'-P energy: -96.300 bonds (distance) P-C4' energy: -81.054 flat angles C4'-P-C4' energy: -94.429 flat angles P-C4'-P energy: -48.268 tors. eta vs tors. theta energy: -57.309 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: 73 Temperature: 1.200000 Total energy: -807.356331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.356331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.356331 (E_RNA) where: Base-Base interactions energy: -478.338 where: short stacking energy: -227.402 Base-Backbone interact. energy: -1.605 local terms energy: -327.413256 where: bonds (distance) C4'-P energy: -73.701 bonds (distance) P-C4' energy: -94.322 flat angles C4'-P-C4' energy: -69.452 flat angles P-C4'-P energy: -57.430 tors. eta vs tors. theta energy: -32.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -681.561010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.561010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.561010 (E_RNA) where: Base-Base interactions energy: -384.940 where: short stacking energy: -215.934 Base-Backbone interact. energy: -0.570 local terms energy: -296.051191 where: bonds (distance) C4'-P energy: -68.595 bonds (distance) P-C4' energy: -76.879 flat angles C4'-P-C4' energy: -74.938 flat angles P-C4'-P energy: -44.652 tors. eta vs tors. theta energy: -30.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -528.608965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.608965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.608965 (E_RNA) where: Base-Base interactions energy: -267.087 where: short stacking energy: -161.433 Base-Backbone interact. energy: -1.838 local terms energy: -259.683757 where: bonds (distance) C4'-P energy: -63.131 bonds (distance) P-C4' energy: -70.053 flat angles C4'-P-C4' energy: -79.857 flat angles P-C4'-P energy: -49.633 tors. eta vs tors. theta energy: 2.990 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: 7 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -440.944458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.944458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.944458 (E_RNA) where: Base-Base interactions energy: -188.881 where: short stacking energy: -101.876 Base-Backbone interact. energy: -0.041 local terms energy: -252.022004 where: bonds (distance) C4'-P energy: -80.090 bonds (distance) P-C4' energy: -85.256 flat angles C4'-P-C4' energy: -55.721 flat angles P-C4'-P energy: -45.107 tors. eta vs tors. theta energy: 14.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1390.470159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.470159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.470159 (E_RNA) where: Base-Base interactions energy: -922.477 where: short stacking energy: -430.597 Base-Backbone interact. energy: 1.919 local terms energy: -469.912590 where: bonds (distance) C4'-P energy: -82.995 bonds (distance) P-C4' energy: -101.849 flat angles C4'-P-C4' energy: -97.940 flat angles P-C4'-P energy: -66.058 tors. eta vs tors. theta energy: -121.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1321.213983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.213983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.213983 (E_RNA) where: Base-Base interactions energy: -865.222 where: short stacking energy: -397.338 Base-Backbone interact. energy: -2.290 local terms energy: -453.702288 where: bonds (distance) C4'-P energy: -88.996 bonds (distance) P-C4' energy: -87.125 flat angles C4'-P-C4' energy: -99.383 flat angles P-C4'-P energy: -72.787 tors. eta vs tors. theta energy: -105.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1240.900943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.900943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.900943 (E_RNA) where: Base-Base interactions energy: -774.326 where: short stacking energy: -392.135 Base-Backbone interact. energy: -1.584 local terms energy: -464.991445 where: bonds (distance) C4'-P energy: -98.461 bonds (distance) P-C4' energy: -97.521 flat angles C4'-P-C4' energy: -97.598 flat angles P-C4'-P energy: -68.344 tors. eta vs tors. theta energy: -103.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1187.547697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.547697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.547697 (E_RNA) where: Base-Base interactions energy: -764.451 where: short stacking energy: -353.968 Base-Backbone interact. energy: -1.973 local terms energy: -421.123163 where: bonds (distance) C4'-P energy: -81.562 bonds (distance) P-C4' energy: -92.651 flat angles C4'-P-C4' energy: -102.754 flat angles P-C4'-P energy: -51.470 tors. eta vs tors. theta energy: -92.686 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: 5, replica: 8 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -998.060684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.060684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.060684 (E_RNA) where: Base-Base interactions energy: -612.115 where: short stacking energy: -311.166 Base-Backbone interact. energy: -1.382 local terms energy: -384.563129 where: bonds (distance) C4'-P energy: -71.971 bonds (distance) P-C4' energy: -87.958 flat angles C4'-P-C4' energy: -97.540 flat angles P-C4'-P energy: -60.569 tors. eta vs tors. theta energy: -66.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -937.900625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.900625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.900625 (E_RNA) where: Base-Base interactions energy: -544.392 where: short stacking energy: -272.439 Base-Backbone interact. energy: -2.401 local terms energy: -391.107920 where: bonds (distance) C4'-P energy: -85.805 bonds (distance) P-C4' energy: -80.363 flat angles C4'-P-C4' energy: -97.156 flat angles P-C4'-P energy: -53.101 tors. eta vs tors. theta energy: -74.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -765.670730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.670730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.670730 (E_RNA) where: Base-Base interactions energy: -414.222 where: short stacking energy: -228.904 Base-Backbone interact. energy: -0.375 local terms energy: -351.073517 where: bonds (distance) C4'-P energy: -78.467 bonds (distance) P-C4' energy: -94.564 flat angles C4'-P-C4' energy: -82.081 flat angles P-C4'-P energy: -57.168 tors. eta vs tors. theta energy: -38.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -721.736462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.736462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.736462 (E_RNA) where: Base-Base interactions energy: -431.562 where: short stacking energy: -225.069 Base-Backbone interact. energy: -0.872 local terms energy: -289.302588 where: bonds (distance) C4'-P energy: -65.819 bonds (distance) P-C4' energy: -91.009 flat angles C4'-P-C4' energy: -81.840 flat angles P-C4'-P energy: -30.482 tors. eta vs tors. theta energy: -20.153 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: 1 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -555.017524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.017524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.017524 (E_RNA) where: Base-Base interactions energy: -273.777 where: short stacking energy: -158.495 Base-Backbone interact. energy: 1.860 local terms energy: -283.100169 where: bonds (distance) C4'-P energy: -76.318 bonds (distance) P-C4' energy: -87.728 flat angles C4'-P-C4' energy: -78.218 flat angles P-C4'-P energy: -48.310 tors. eta vs tors. theta energy: 7.474 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: 74 Temperature: 1.350000 Total energy: -384.264320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.264320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.264320 (E_RNA) where: Base-Base interactions energy: -149.122 where: short stacking energy: -112.953 Base-Backbone interact. energy: 4.278 local terms energy: -239.419841 where: bonds (distance) C4'-P energy: -77.022 bonds (distance) P-C4' energy: -76.322 flat angles C4'-P-C4' energy: -66.745 flat angles P-C4'-P energy: -31.183 tors. eta vs tors. theta energy: 11.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1398.284179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.284179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.284179 (E_RNA) where: Base-Base interactions energy: -893.340 where: short stacking energy: -455.212 Base-Backbone interact. energy: -3.086 local terms energy: -501.857692 where: bonds (distance) C4'-P energy: -87.834 bonds (distance) P-C4' energy: -102.960 flat angles C4'-P-C4' energy: -107.229 flat angles P-C4'-P energy: -74.544 tors. eta vs tors. theta energy: -129.291 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: 10 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1359.804142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.804142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.804142 (E_RNA) where: Base-Base interactions energy: -873.195 where: short stacking energy: -395.013 Base-Backbone interact. energy: -3.583 local terms energy: -483.026247 where: bonds (distance) C4'-P energy: -100.145 bonds (distance) P-C4' energy: -94.682 flat angles C4'-P-C4' energy: -96.949 flat angles P-C4'-P energy: -81.333 tors. eta vs tors. theta energy: -109.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -1224.392070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.392070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.392070 (E_RNA) where: Base-Base interactions energy: -783.947 where: short stacking energy: -367.514 Base-Backbone interact. energy: -1.610 local terms energy: -438.835900 where: bonds (distance) C4'-P energy: -87.453 bonds (distance) P-C4' energy: -78.826 flat angles C4'-P-C4' energy: -109.047 flat angles P-C4'-P energy: -65.949 tors. eta vs tors. theta energy: -97.561 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: 9 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1153.886956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.886956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.886956 (E_RNA) where: Base-Base interactions energy: -742.146 where: short stacking energy: -348.148 Base-Backbone interact. energy: 0.370 local terms energy: -412.111335 where: bonds (distance) C4'-P energy: -88.213 bonds (distance) P-C4' energy: -82.039 flat angles C4'-P-C4' energy: -103.313 flat angles P-C4'-P energy: -50.202 tors. eta vs tors. theta energy: -88.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -983.452399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.452399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.452399 (E_RNA) where: Base-Base interactions energy: -612.378 where: short stacking energy: -268.654 Base-Backbone interact. energy: 1.899 local terms energy: -372.973384 where: bonds (distance) C4'-P energy: -80.985 bonds (distance) P-C4' energy: -78.376 flat angles C4'-P-C4' energy: -92.665 flat angles P-C4'-P energy: -61.815 tors. eta vs tors. theta energy: -59.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -985.961624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.961624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.961624 (E_RNA) where: Base-Base interactions energy: -633.615 where: short stacking energy: -295.269 Base-Backbone interact. energy: -2.547 local terms energy: -349.800252 where: bonds (distance) C4'-P energy: -77.228 bonds (distance) P-C4' energy: -75.579 flat angles C4'-P-C4' energy: -75.640 flat angles P-C4'-P energy: -53.688 tors. eta vs tors. theta energy: -67.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -747.548527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.548527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.548527 (E_RNA) where: Base-Base interactions energy: -412.900 where: short stacking energy: -214.051 Base-Backbone interact. energy: -1.494 local terms energy: -333.154596 where: bonds (distance) C4'-P energy: -75.596 bonds (distance) P-C4' energy: -92.308 flat angles C4'-P-C4' energy: -76.025 flat angles P-C4'-P energy: -56.219 tors. eta vs tors. theta energy: -33.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -717.622692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.622692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.622692 (E_RNA) where: Base-Base interactions energy: -396.370 where: short stacking energy: -215.163 Base-Backbone interact. energy: -1.629 local terms energy: -319.623858 where: bonds (distance) C4'-P energy: -67.788 bonds (distance) P-C4' energy: -83.584 flat angles C4'-P-C4' energy: -66.114 flat angles P-C4'-P energy: -56.955 tors. eta vs tors. theta energy: -45.183 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: 9, replica: 1 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -632.700463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.700463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.700463 (E_RNA) where: Base-Base interactions energy: -351.994 where: short stacking energy: -182.134 Base-Backbone interact. energy: -2.158 local terms energy: -278.548278 where: bonds (distance) C4'-P energy: -65.562 bonds (distance) P-C4' energy: -66.804 flat angles C4'-P-C4' energy: -83.397 flat angles P-C4'-P energy: -42.355 tors. eta vs tors. theta energy: -20.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -382.434537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.434537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.434537 (E_RNA) where: Base-Base interactions energy: -140.458 where: short stacking energy: -110.928 Base-Backbone interact. energy: 6.495 local terms energy: -248.472011 where: bonds (distance) C4'-P energy: -73.287 bonds (distance) P-C4' energy: -77.113 flat angles C4'-P-C4' energy: -56.340 flat angles P-C4'-P energy: -46.476 tors. eta vs tors. theta energy: 4.744 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: 2 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1410.903216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.903216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.903216 (E_RNA) where: Base-Base interactions energy: -921.629 where: short stacking energy: -449.344 Base-Backbone interact. energy: 0.956 local terms energy: -490.229813 where: bonds (distance) C4'-P energy: -86.328 bonds (distance) P-C4' energy: -98.383 flat angles C4'-P-C4' energy: -102.235 flat angles P-C4'-P energy: -72.181 tors. eta vs tors. theta energy: -131.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1345.104162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.104162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.104162 (E_RNA) where: Base-Base interactions energy: -868.476 where: short stacking energy: -419.939 Base-Backbone interact. energy: -4.955 local terms energy: -471.672756 where: bonds (distance) C4'-P energy: -90.217 bonds (distance) P-C4' energy: -91.977 flat angles C4'-P-C4' energy: -95.362 flat angles P-C4'-P energy: -66.139 tors. eta vs tors. theta energy: -127.978 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: 5 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1239.335321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.335321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.335321 (E_RNA) where: Base-Base interactions energy: -792.096 where: short stacking energy: -380.411 Base-Backbone interact. energy: -1.340 local terms energy: -445.900078 where: bonds (distance) C4'-P energy: -75.191 bonds (distance) P-C4' energy: -96.736 flat angles C4'-P-C4' energy: -101.532 flat angles P-C4'-P energy: -59.903 tors. eta vs tors. theta energy: -112.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1090.662213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.662213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.662213 (E_RNA) where: Base-Base interactions energy: -688.201 where: short stacking energy: -324.656 Base-Backbone interact. energy: -1.427 local terms energy: -401.034931 where: bonds (distance) C4'-P energy: -76.844 bonds (distance) P-C4' energy: -93.263 flat angles C4'-P-C4' energy: -106.974 flat angles P-C4'-P energy: -55.741 tors. eta vs tors. theta energy: -68.213 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: 8 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1027.129561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.129561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.129561 (E_RNA) where: Base-Base interactions energy: -631.337 where: short stacking energy: -287.370 Base-Backbone interact. energy: -1.691 local terms energy: -394.101077 where: bonds (distance) C4'-P energy: -84.839 bonds (distance) P-C4' energy: -84.609 flat angles C4'-P-C4' energy: -104.421 flat angles P-C4'-P energy: -61.966 tors. eta vs tors. theta energy: -58.265 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: 6 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1015.242737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.242737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.242737 (E_RNA) where: Base-Base interactions energy: -642.086 where: short stacking energy: -295.277 Base-Backbone interact. energy: 0.881 local terms energy: -374.037508 where: bonds (distance) C4'-P energy: -84.707 bonds (distance) P-C4' energy: -73.455 flat angles C4'-P-C4' energy: -88.849 flat angles P-C4'-P energy: -62.988 tors. eta vs tors. theta energy: -64.038 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: 3 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -782.631921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.631921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.631921 (E_RNA) where: Base-Base interactions energy: -469.081 where: short stacking energy: -233.622 Base-Backbone interact. energy: 2.260 local terms energy: -315.810808 where: bonds (distance) C4'-P energy: -77.668 bonds (distance) P-C4' energy: -82.114 flat angles C4'-P-C4' energy: -76.017 flat angles P-C4'-P energy: -41.215 tors. eta vs tors. theta energy: -38.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -670.632151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.632151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.632151 (E_RNA) where: Base-Base interactions energy: -366.962 where: short stacking energy: -210.355 Base-Backbone interact. energy: 1.801 local terms energy: -305.471025 where: bonds (distance) C4'-P energy: -79.634 bonds (distance) P-C4' energy: -89.185 flat angles C4'-P-C4' energy: -75.981 flat angles P-C4'-P energy: -27.150 tors. eta vs tors. theta energy: -33.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -592.866231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.866231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.866231 (E_RNA) where: Base-Base interactions energy: -311.240 where: short stacking energy: -154.408 Base-Backbone interact. energy: 10.319 local terms energy: -291.945210 where: bonds (distance) C4'-P energy: -89.929 bonds (distance) P-C4' energy: -72.259 flat angles C4'-P-C4' energy: -75.352 flat angles P-C4'-P energy: -47.170 tors. eta vs tors. theta energy: -7.236 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: 76 Temperature: 1.350000 Total energy: -390.949456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.949456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.949456 (E_RNA) where: Base-Base interactions energy: -133.569 where: short stacking energy: -112.240 Base-Backbone interact. energy: 2.044 local terms energy: -259.424527 where: bonds (distance) C4'-P energy: -79.893 bonds (distance) P-C4' energy: -87.045 flat angles C4'-P-C4' energy: -73.651 flat angles P-C4'-P energy: -33.833 tors. eta vs tors. theta energy: 14.996 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: 2 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1413.890253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.890253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.890253 (E_RNA) where: Base-Base interactions energy: -908.170 where: short stacking energy: -450.359 Base-Backbone interact. energy: 1.263 local terms energy: -506.983012 where: bonds (distance) C4'-P energy: -93.495 bonds (distance) P-C4' energy: -105.492 flat angles C4'-P-C4' energy: -104.435 flat angles P-C4'-P energy: -70.223 tors. eta vs tors. theta energy: -133.338 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: 2, replica: 10 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1332.941815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.941815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.941815 (E_RNA) where: Base-Base interactions energy: -869.452 where: short stacking energy: -398.453 Base-Backbone interact. energy: -5.265 local terms energy: -458.223934 where: bonds (distance) C4'-P energy: -93.977 bonds (distance) P-C4' energy: -97.603 flat angles C4'-P-C4' energy: -103.024 flat angles P-C4'-P energy: -61.352 tors. eta vs tors. theta energy: -102.269 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: 5 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1233.727185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.727185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.727185 (E_RNA) where: Base-Base interactions energy: -795.417 where: short stacking energy: -403.340 Base-Backbone interact. energy: 1.299 local terms energy: -439.608594 where: bonds (distance) C4'-P energy: -71.653 bonds (distance) P-C4' energy: -96.969 flat angles C4'-P-C4' energy: -105.783 flat angles P-C4'-P energy: -57.326 tors. eta vs tors. theta energy: -107.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1131.384072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.384072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.384072 (E_RNA) where: Base-Base interactions energy: -703.965 where: short stacking energy: -326.920 Base-Backbone interact. energy: -1.644 local terms energy: -425.774382 where: bonds (distance) C4'-P energy: -88.513 bonds (distance) P-C4' energy: -92.012 flat angles C4'-P-C4' energy: -83.680 flat angles P-C4'-P energy: -73.082 tors. eta vs tors. theta energy: -88.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1001.813631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.813631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.813631 (E_RNA) where: Base-Base interactions energy: -625.522 where: short stacking energy: -286.070 Base-Backbone interact. energy: -0.378 local terms energy: -375.913639 where: bonds (distance) C4'-P energy: -67.754 bonds (distance) P-C4' energy: -86.803 flat angles C4'-P-C4' energy: -87.109 flat angles P-C4'-P energy: -69.884 tors. eta vs tors. theta energy: -64.364 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: 6, replica: 6 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1020.083938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.083938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.083938 (E_RNA) where: Base-Base interactions energy: -648.629 where: short stacking energy: -294.794 Base-Backbone interact. energy: -3.208 local terms energy: -368.247480 where: bonds (distance) C4'-P energy: -88.150 bonds (distance) P-C4' energy: -81.380 flat angles C4'-P-C4' energy: -77.682 flat angles P-C4'-P energy: -50.191 tors. eta vs tors. theta energy: -70.845 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: 3 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -796.595571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.595571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.595571 (E_RNA) where: Base-Base interactions energy: -482.684 where: short stacking energy: -216.079 Base-Backbone interact. energy: -1.535 local terms energy: -312.376810 where: bonds (distance) C4'-P energy: -78.874 bonds (distance) P-C4' energy: -63.078 flat angles C4'-P-C4' energy: -86.443 flat angles P-C4'-P energy: -47.729 tors. eta vs tors. theta energy: -36.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -670.942157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.942157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.942157 (E_RNA) where: Base-Base interactions energy: -348.097 where: short stacking energy: -202.331 Base-Backbone interact. energy: 0.717 local terms energy: -323.562038 where: bonds (distance) C4'-P energy: -64.294 bonds (distance) P-C4' energy: -80.457 flat angles C4'-P-C4' energy: -92.222 flat angles P-C4'-P energy: -60.475 tors. eta vs tors. theta energy: -26.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -547.112426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.112426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.112426 (E_RNA) where: Base-Base interactions energy: -258.894 where: short stacking energy: -147.048 Base-Backbone interact. energy: -1.491 local terms energy: -286.727786 where: bonds (distance) C4'-P energy: -87.994 bonds (distance) P-C4' energy: -80.343 flat angles C4'-P-C4' energy: -83.166 flat angles P-C4'-P energy: -43.346 tors. eta vs tors. theta energy: 8.121 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: 7 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -381.033841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.033841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.033841 (E_RNA) where: Base-Base interactions energy: -117.420 where: short stacking energy: -107.104 Base-Backbone interact. energy: 2.286 local terms energy: -265.899268 where: bonds (distance) C4'-P energy: -82.477 bonds (distance) P-C4' energy: -87.086 flat angles C4'-P-C4' energy: -74.349 flat angles P-C4'-P energy: -36.005 tors. eta vs tors. theta energy: 14.017 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: 2 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1394.825005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.825005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.825005 (E_RNA) where: Base-Base interactions energy: -916.693 where: short stacking energy: -425.442 Base-Backbone interact. energy: -0.615 local terms energy: -477.516852 where: bonds (distance) C4'-P energy: -89.001 bonds (distance) P-C4' energy: -94.701 flat angles C4'-P-C4' energy: -99.974 flat angles P-C4'-P energy: -73.060 tors. eta vs tors. theta energy: -120.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1349.786047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.786047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.786047 (E_RNA) where: Base-Base interactions energy: -902.599 where: short stacking energy: -401.994 Base-Backbone interact. energy: -4.771 local terms energy: -442.416095 where: bonds (distance) C4'-P energy: -80.511 bonds (distance) P-C4' energy: -93.774 flat angles C4'-P-C4' energy: -95.886 flat angles P-C4'-P energy: -63.241 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: 5 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1261.754651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.754651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.754651 (E_RNA) where: Base-Base interactions energy: -840.093 where: short stacking energy: -404.216 Base-Backbone interact. energy: 0.447 local terms energy: -422.108010 where: bonds (distance) C4'-P energy: -94.577 bonds (distance) P-C4' energy: -78.854 flat angles C4'-P-C4' energy: -94.121 flat angles P-C4'-P energy: -53.887 tors. eta vs tors. theta energy: -100.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1114.247130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.247130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.247130 (E_RNA) where: Base-Base interactions energy: -705.017 where: short stacking energy: -347.838 Base-Backbone interact. energy: 1.533 local terms energy: -410.763771 where: bonds (distance) C4'-P energy: -92.129 bonds (distance) P-C4' energy: -85.942 flat angles C4'-P-C4' energy: -96.430 flat angles P-C4'-P energy: -58.595 tors. eta vs tors. theta energy: -77.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1051.606732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.606732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.606732 (E_RNA) where: Base-Base interactions energy: -649.304 where: short stacking energy: -304.665 Base-Backbone interact. energy: 0.090 local terms energy: -402.392693 where: bonds (distance) C4'-P energy: -86.480 bonds (distance) P-C4' energy: -101.488 flat angles C4'-P-C4' energy: -90.431 flat angles P-C4'-P energy: -48.696 tors. eta vs tors. theta energy: -75.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -960.740711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.740711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.740711 (E_RNA) where: Base-Base interactions energy: -586.783 where: short stacking energy: -240.813 Base-Backbone interact. energy: -0.259 local terms energy: -373.698808 where: bonds (distance) C4'-P energy: -81.092 bonds (distance) P-C4' energy: -89.871 flat angles C4'-P-C4' energy: -92.214 flat angles P-C4'-P energy: -54.531 tors. eta vs tors. theta energy: -55.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -859.684693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.684693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.684693 (E_RNA) where: Base-Base interactions energy: -518.323 where: short stacking energy: -229.805 Base-Backbone interact. energy: -1.300 local terms energy: -340.061446 where: bonds (distance) C4'-P energy: -80.627 bonds (distance) P-C4' energy: -79.974 flat angles C4'-P-C4' energy: -83.702 flat angles P-C4'-P energy: -54.234 tors. eta vs tors. theta energy: -41.525 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: 78 Temperature: 1.250000 Total energy: -663.422726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.422726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.422726 (E_RNA) where: Base-Base interactions energy: -385.410 where: short stacking energy: -222.154 Base-Backbone interact. energy: -1.626 local terms energy: -276.386689 where: bonds (distance) C4'-P energy: -53.484 bonds (distance) P-C4' energy: -87.199 flat angles C4'-P-C4' energy: -83.193 flat angles P-C4'-P energy: -39.054 tors. eta vs tors. theta energy: -13.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -530.509473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.509473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.509473 (E_RNA) where: Base-Base interactions energy: -253.185 where: short stacking energy: -138.230 Base-Backbone interact. energy: -1.941 local terms energy: -275.383753 where: bonds (distance) C4'-P energy: -94.102 bonds (distance) P-C4' energy: -73.973 flat angles C4'-P-C4' energy: -67.474 flat angles P-C4'-P energy: -35.762 tors. eta vs tors. theta energy: -4.073 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: 10, replica: 7 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -368.985674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.985674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.985674 (E_RNA) where: Base-Base interactions energy: -110.295 where: short stacking energy: -88.678 Base-Backbone interact. energy: -0.410 local terms energy: -258.281000 where: bonds (distance) C4'-P energy: -75.912 bonds (distance) P-C4' energy: -80.290 flat angles C4'-P-C4' energy: -81.056 flat angles P-C4'-P energy: -40.056 tors. eta vs tors. theta energy: 19.033 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: 2 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1429.007948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.007948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.007948 (E_RNA) where: Base-Base interactions energy: -954.199 where: short stacking energy: -452.140 Base-Backbone interact. energy: -2.279 local terms energy: -472.529854 where: bonds (distance) C4'-P energy: -95.501 bonds (distance) P-C4' energy: -92.528 flat angles C4'-P-C4' energy: -99.075 flat angles P-C4'-P energy: -63.670 tors. eta vs tors. theta energy: -121.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1351.600083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.600083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.600083 (E_RNA) where: Base-Base interactions energy: -908.026 where: short stacking energy: -404.564 Base-Backbone interact. energy: 0.277 local terms energy: -443.851071 where: bonds (distance) C4'-P energy: -91.260 bonds (distance) P-C4' energy: -78.917 flat angles C4'-P-C4' energy: -97.673 flat angles P-C4'-P energy: -65.043 tors. eta vs tors. theta energy: -110.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1270.246298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.246298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.246298 (E_RNA) where: Base-Base interactions energy: -821.113 where: short stacking energy: -374.541 Base-Backbone interact. energy: -0.389 local terms energy: -448.745014 where: bonds (distance) C4'-P energy: -85.485 bonds (distance) P-C4' energy: -92.271 flat angles C4'-P-C4' energy: -103.254 flat angles P-C4'-P energy: -57.712 tors. eta vs tors. theta energy: -110.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1173.477951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.477951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.477951 (E_RNA) where: Base-Base interactions energy: -747.086 where: short stacking energy: -323.119 Base-Backbone interact. energy: -0.526 local terms energy: -425.865985 where: bonds (distance) C4'-P energy: -81.949 bonds (distance) P-C4' energy: -87.481 flat angles C4'-P-C4' energy: -98.798 flat angles P-C4'-P energy: -64.324 tors. eta vs tors. theta energy: -93.314 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: 5, replica: 8 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1000.703697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.703697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.703697 (E_RNA) where: Base-Base interactions energy: -617.194 where: short stacking energy: -301.036 Base-Backbone interact. energy: 1.321 local terms energy: -384.831424 where: bonds (distance) C4'-P energy: -79.932 bonds (distance) P-C4' energy: -91.736 flat angles C4'-P-C4' energy: -89.101 flat angles P-C4'-P energy: -56.820 tors. eta vs tors. theta energy: -67.242 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: 3 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -952.155508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.155508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.155508 (E_RNA) where: Base-Base interactions energy: -580.003 where: short stacking energy: -260.215 Base-Backbone interact. energy: -1.526 local terms energy: -370.627389 where: bonds (distance) C4'-P energy: -93.026 bonds (distance) P-C4' energy: -77.454 flat angles C4'-P-C4' energy: -94.514 flat angles P-C4'-P energy: -53.170 tors. eta vs tors. theta energy: -52.463 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: 6 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -899.693579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.693579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.693579 (E_RNA) where: Base-Base interactions energy: -568.721 where: short stacking energy: -267.937 Base-Backbone interact. energy: 3.066 local terms energy: -334.038289 where: bonds (distance) C4'-P energy: -80.744 bonds (distance) P-C4' energy: -87.192 flat angles C4'-P-C4' energy: -77.738 flat angles P-C4'-P energy: -34.966 tors. eta vs tors. theta energy: -53.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -674.023119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.023119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.023119 (E_RNA) where: Base-Base interactions energy: -362.498 where: short stacking energy: -192.641 Base-Backbone interact. energy: 0.221 local terms energy: -311.746286 where: bonds (distance) C4'-P energy: -71.803 bonds (distance) P-C4' energy: -85.997 flat angles C4'-P-C4' energy: -73.748 flat angles P-C4'-P energy: -52.171 tors. eta vs tors. theta energy: -28.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -525.234067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.234067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.234067 (E_RNA) where: Base-Base interactions energy: -253.610 where: short stacking energy: -166.453 Base-Backbone interact. energy: -1.435 local terms energy: -270.189748 where: bonds (distance) C4'-P energy: -79.883 bonds (distance) P-C4' energy: -66.060 flat angles C4'-P-C4' energy: -72.841 flat angles P-C4'-P energy: -38.431 tors. eta vs tors. theta energy: -12.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -358.422518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.422518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.422518 (E_RNA) where: Base-Base interactions energy: -119.098 where: short stacking energy: -86.789 Base-Backbone interact. energy: -2.393 local terms energy: -236.931731 where: bonds (distance) C4'-P energy: -75.668 bonds (distance) P-C4' energy: -81.434 flat angles C4'-P-C4' energy: -66.463 flat angles P-C4'-P energy: -31.069 tors. eta vs tors. theta energy: 17.702 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: 2 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1410.766941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.766941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.766941 (E_RNA) where: Base-Base interactions energy: -915.885 where: short stacking energy: -460.851 Base-Backbone interact. energy: 2.142 local terms energy: -497.023809 where: bonds (distance) C4'-P energy: -86.608 bonds (distance) P-C4' energy: -103.466 flat angles C4'-P-C4' energy: -112.682 flat angles P-C4'-P energy: -55.175 tors. eta vs tors. theta energy: -139.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1350.788744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.788744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.788744 (E_RNA) where: Base-Base interactions energy: -887.028 where: short stacking energy: -380.099 Base-Backbone interact. energy: -6.167 local terms energy: -457.593713 where: bonds (distance) C4'-P energy: -95.241 bonds (distance) P-C4' energy: -91.602 flat angles C4'-P-C4' energy: -100.705 flat angles P-C4'-P energy: -71.317 tors. eta vs tors. theta energy: -98.729 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: 5 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1297.369548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.369548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.369548 (E_RNA) where: Base-Base interactions energy: -835.412 where: short stacking energy: -396.131 Base-Backbone interact. energy: -3.339 local terms energy: -458.618209 where: bonds (distance) C4'-P energy: -91.069 bonds (distance) P-C4' energy: -88.136 flat angles C4'-P-C4' energy: -102.448 flat angles P-C4'-P energy: -63.681 tors. eta vs tors. theta energy: -113.283 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: 9 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1163.017623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.017623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.017623 (E_RNA) where: Base-Base interactions energy: -745.729 where: short stacking energy: -338.533 Base-Backbone interact. energy: -0.803 local terms energy: -416.486028 where: bonds (distance) C4'-P energy: -95.112 bonds (distance) P-C4' energy: -87.721 flat angles C4'-P-C4' energy: -90.246 flat angles P-C4'-P energy: -55.555 tors. eta vs tors. theta energy: -87.853 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: 8 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -989.128086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.128086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.128086 (E_RNA) where: Base-Base interactions energy: -607.630 where: short stacking energy: -314.128 Base-Backbone interact. energy: -1.475 local terms energy: -380.022909 where: bonds (distance) C4'-P energy: -78.905 bonds (distance) P-C4' energy: -87.699 flat angles C4'-P-C4' energy: -88.586 flat angles P-C4'-P energy: -55.462 tors. eta vs tors. theta energy: -69.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -970.542754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.542754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.542754 (E_RNA) where: Base-Base interactions energy: -589.097 where: short stacking energy: -275.598 Base-Backbone interact. energy: -0.191 local terms energy: -381.254525 where: bonds (distance) C4'-P energy: -82.769 bonds (distance) P-C4' energy: -92.663 flat angles C4'-P-C4' energy: -87.611 flat angles P-C4'-P energy: -60.667 tors. eta vs tors. theta energy: -57.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -846.865571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.865571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.865571 (E_RNA) where: Base-Base interactions energy: -519.841 where: short stacking energy: -256.995 Base-Backbone interact. energy: 2.412 local terms energy: -329.436169 where: bonds (distance) C4'-P energy: -75.545 bonds (distance) P-C4' energy: -83.713 flat angles C4'-P-C4' energy: -80.158 flat angles P-C4'-P energy: -44.776 tors. eta vs tors. theta energy: -45.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -665.028303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.028303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.028303 (E_RNA) where: Base-Base interactions energy: -339.152 where: short stacking energy: -197.865 Base-Backbone interact. energy: -0.700 local terms energy: -325.176189 where: bonds (distance) C4'-P energy: -77.529 bonds (distance) P-C4' energy: -86.520 flat angles C4'-P-C4' energy: -82.629 flat angles P-C4'-P energy: -56.075 tors. eta vs tors. theta energy: -22.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -572.200273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.200273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.200273 (E_RNA) where: Base-Base interactions energy: -298.923 where: short stacking energy: -168.283 Base-Backbone interact. energy: 2.082 local terms energy: -275.360138 where: bonds (distance) C4'-P energy: -71.045 bonds (distance) P-C4' energy: -74.405 flat angles C4'-P-C4' energy: -69.051 flat angles P-C4'-P energy: -58.960 tors. eta vs tors. theta energy: -1.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -381.274205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.274205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.274205 (E_RNA) where: Base-Base interactions energy: -139.106 where: short stacking energy: -118.995 Base-Backbone interact. energy: 2.722 local terms energy: -244.890230 where: bonds (distance) C4'-P energy: -67.190 bonds (distance) P-C4' energy: -80.448 flat angles C4'-P-C4' energy: -71.031 flat angles P-C4'-P energy: -33.201 tors. eta vs tors. theta energy: 6.979 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: 2 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1406.276428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.276428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.276428 (E_RNA) where: Base-Base interactions energy: -901.338 where: short stacking energy: -430.364 Base-Backbone interact. energy: -3.239 local terms energy: -501.700223 where: bonds (distance) C4'-P energy: -101.258 bonds (distance) P-C4' energy: -101.063 flat angles C4'-P-C4' energy: -101.418 flat angles P-C4'-P energy: -69.129 tors. eta vs tors. theta energy: -128.831 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: 10 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1384.398362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.398362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.398362 (E_RNA) where: Base-Base interactions energy: -919.578 where: short stacking energy: -415.005 Base-Backbone interact. energy: -6.623 local terms energy: -458.198205 where: bonds (distance) C4'-P energy: -96.091 bonds (distance) P-C4' energy: -90.351 flat angles C4'-P-C4' energy: -98.411 flat angles P-C4'-P energy: -61.409 tors. eta vs tors. theta energy: -111.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1249.050432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.050432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.050432 (E_RNA) where: Base-Base interactions energy: -797.740 where: short stacking energy: -398.679 Base-Backbone interact. energy: -1.342 local terms energy: -449.968739 where: bonds (distance) C4'-P energy: -91.640 bonds (distance) P-C4' energy: -96.989 flat angles C4'-P-C4' energy: -83.606 flat angles P-C4'-P energy: -64.285 tors. eta vs tors. theta energy: -113.449 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: 9 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1145.192744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.192744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.192744 (E_RNA) where: Base-Base interactions energy: -716.751 where: short stacking energy: -349.585 Base-Backbone interact. energy: 2.637 local terms energy: -431.078721 where: bonds (distance) C4'-P energy: -92.956 bonds (distance) P-C4' energy: -76.777 flat angles C4'-P-C4' energy: -99.047 flat angles P-C4'-P energy: -65.587 tors. eta vs tors. theta energy: -96.712 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: 8 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1000.692311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.692311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.692311 (E_RNA) where: Base-Base interactions energy: -631.938 where: short stacking energy: -288.567 Base-Backbone interact. energy: 1.266 local terms energy: -370.019612 where: bonds (distance) C4'-P energy: -88.887 bonds (distance) P-C4' energy: -86.445 flat angles C4'-P-C4' energy: -88.178 flat angles P-C4'-P energy: -42.720 tors. eta vs tors. theta energy: -63.789 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: 3 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -983.023275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.023275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.023275 (E_RNA) where: Base-Base interactions energy: -626.705 where: short stacking energy: -304.905 Base-Backbone interact. energy: -0.069 local terms energy: -356.249406 where: bonds (distance) C4'-P energy: -95.336 bonds (distance) P-C4' energy: -59.828 flat angles C4'-P-C4' energy: -84.317 flat angles P-C4'-P energy: -41.868 tors. eta vs tors. theta energy: -74.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -867.971242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.971242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.971242 (E_RNA) where: Base-Base interactions energy: -507.103 where: short stacking energy: -248.469 Base-Backbone interact. energy: -1.161 local terms energy: -359.707611 where: bonds (distance) C4'-P energy: -77.083 bonds (distance) P-C4' energy: -94.775 flat angles C4'-P-C4' energy: -84.482 flat angles P-C4'-P energy: -55.127 tors. eta vs tors. theta energy: -48.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -647.315336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.315336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.315336 (E_RNA) where: Base-Base interactions energy: -379.909 where: short stacking energy: -183.003 Base-Backbone interact. energy: -1.031 local terms energy: -266.374756 where: bonds (distance) C4'-P energy: -76.499 bonds (distance) P-C4' energy: -63.784 flat angles C4'-P-C4' energy: -85.063 flat angles P-C4'-P energy: -20.545 tors. eta vs tors. theta energy: -20.483 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: 1 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -624.635940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.635940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.635940 (E_RNA) where: Base-Base interactions energy: -328.892 where: short stacking energy: -176.986 Base-Backbone interact. energy: -2.957 local terms energy: -292.786731 where: bonds (distance) C4'-P energy: -80.718 bonds (distance) P-C4' energy: -89.746 flat angles C4'-P-C4' energy: -68.579 flat angles P-C4'-P energy: -39.108 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: 81 Temperature: 1.350000 Total energy: -373.897087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.897087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.897087 (E_RNA) where: Base-Base interactions energy: -118.537 where: short stacking energy: -100.091 Base-Backbone interact. energy: 0.760 local terms energy: -256.120362 where: bonds (distance) C4'-P energy: -87.555 bonds (distance) P-C4' energy: -93.704 flat angles C4'-P-C4' energy: -56.183 flat angles P-C4'-P energy: -32.364 tors. eta vs tors. theta energy: 13.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1427.593355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.593355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.593355 (E_RNA) where: Base-Base interactions energy: -940.268 where: short stacking energy: -425.077 Base-Backbone interact. energy: -3.770 local terms energy: -483.555004 where: bonds (distance) C4'-P energy: -93.789 bonds (distance) P-C4' energy: -103.414 flat angles C4'-P-C4' energy: -99.711 flat angles P-C4'-P energy: -64.656 tors. eta vs tors. theta energy: -121.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1371.117964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.117964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.117964 (E_RNA) where: Base-Base interactions energy: -912.281 where: short stacking energy: -408.458 Base-Backbone interact. energy: -3.393 local terms energy: -455.444034 where: bonds (distance) C4'-P energy: -90.440 bonds (distance) P-C4' energy: -96.173 flat angles C4'-P-C4' energy: -106.191 flat angles P-C4'-P energy: -51.754 tors. eta vs tors. theta energy: -110.886 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: 82 Temperature: 1.000000 Total energy: -1170.899979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.899979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.899979 (E_RNA) where: Base-Base interactions energy: -727.858 where: short stacking energy: -366.685 Base-Backbone interact. energy: 1.407 local terms energy: -444.448951 where: bonds (distance) C4'-P energy: -95.118 bonds (distance) P-C4' energy: -88.004 flat angles C4'-P-C4' energy: -96.276 flat angles P-C4'-P energy: -66.488 tors. eta vs tors. theta energy: -98.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -1151.059305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.059305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.059305 (E_RNA) where: Base-Base interactions energy: -745.677 where: short stacking energy: -347.875 Base-Backbone interact. energy: -3.180 local terms energy: -402.202173 where: bonds (distance) C4'-P energy: -74.654 bonds (distance) P-C4' energy: -84.401 flat angles C4'-P-C4' energy: -95.908 flat angles P-C4'-P energy: -55.854 tors. eta vs tors. theta energy: -91.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1040.654358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.654358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.654358 (E_RNA) where: Base-Base interactions energy: -639.567 where: short stacking energy: -305.425 Base-Backbone interact. energy: -3.075 local terms energy: -398.011916 where: bonds (distance) C4'-P energy: -76.997 bonds (distance) P-C4' energy: -87.490 flat angles C4'-P-C4' energy: -99.492 flat angles P-C4'-P energy: -61.790 tors. eta vs tors. theta energy: -72.243 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: 8 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -951.387047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.387047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.387047 (E_RNA) where: Base-Base interactions energy: -593.545 where: short stacking energy: -269.569 Base-Backbone interact. energy: 0.650 local terms energy: -358.492752 where: bonds (distance) C4'-P energy: -86.978 bonds (distance) P-C4' energy: -82.283 flat angles C4'-P-C4' energy: -92.655 flat angles P-C4'-P energy: -53.989 tors. eta vs tors. theta energy: -42.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -830.912059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.912059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.912059 (E_RNA) where: Base-Base interactions energy: -502.583 where: short stacking energy: -246.360 Base-Backbone interact. energy: 6.117 local terms energy: -334.446263 where: bonds (distance) C4'-P energy: -64.217 bonds (distance) P-C4' energy: -91.524 flat angles C4'-P-C4' energy: -86.661 flat angles P-C4'-P energy: -56.969 tors. eta vs tors. theta energy: -35.075 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: 82 Temperature: 1.250000 Total energy: -645.893679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.893679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.893679 (E_RNA) where: Base-Base interactions energy: -327.415 where: short stacking energy: -172.678 Base-Backbone interact. energy: 0.916 local terms energy: -319.394449 where: bonds (distance) C4'-P energy: -95.017 bonds (distance) P-C4' energy: -84.264 flat angles C4'-P-C4' energy: -74.389 flat angles P-C4'-P energy: -40.178 tors. eta vs tors. theta energy: -25.546 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: 1 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -594.942488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.942488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.942488 (E_RNA) where: Base-Base interactions energy: -290.690 where: short stacking energy: -157.177 Base-Backbone interact. energy: -1.705 local terms energy: -302.547814 where: bonds (distance) C4'-P energy: -89.282 bonds (distance) P-C4' energy: -80.834 flat angles C4'-P-C4' energy: -68.009 flat angles P-C4'-P energy: -59.262 tors. eta vs tors. theta energy: -5.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -395.874586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.874586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.874586 (E_RNA) where: Base-Base interactions energy: -134.308 where: short stacking energy: -106.336 Base-Backbone interact. energy: -0.919 local terms energy: -260.647249 where: bonds (distance) C4'-P energy: -82.646 bonds (distance) P-C4' energy: -94.359 flat angles C4'-P-C4' energy: -53.958 flat angles P-C4'-P energy: -41.221 tors. eta vs tors. theta energy: 11.537 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: 83 Temperature: 0.900000 Total energy: -1385.793256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.793256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.793256 (E_RNA) where: Base-Base interactions energy: -915.138 where: short stacking energy: -430.313 Base-Backbone interact. energy: -1.763 local terms energy: -468.892447 where: bonds (distance) C4'-P energy: -87.867 bonds (distance) P-C4' energy: -91.658 flat angles C4'-P-C4' energy: -106.955 flat angles P-C4'-P energy: -61.305 tors. eta vs tors. theta energy: -121.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1334.289730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.289730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.289730 (E_RNA) where: Base-Base interactions energy: -873.939 where: short stacking energy: -373.810 Base-Backbone interact. energy: -1.790 local terms energy: -458.560352 where: bonds (distance) C4'-P energy: -103.448 bonds (distance) P-C4' energy: -93.704 flat angles C4'-P-C4' energy: -93.052 flat angles P-C4'-P energy: -72.783 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: 3, replica: 9 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1249.657440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.657440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.657440 (E_RNA) where: Base-Base interactions energy: -813.459 where: short stacking energy: -373.887 Base-Backbone interact. energy: -1.274 local terms energy: -434.924181 where: bonds (distance) C4'-P energy: -74.330 bonds (distance) P-C4' energy: -95.667 flat angles C4'-P-C4' energy: -96.495 flat angles P-C4'-P energy: -71.399 tors. eta vs tors. theta energy: -97.033 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: 5 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1224.507987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.507987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.507987 (E_RNA) where: Base-Base interactions energy: -779.414 where: short stacking energy: -373.475 Base-Backbone interact. energy: -1.135 local terms energy: -443.959637 where: bonds (distance) C4'-P energy: -78.845 bonds (distance) P-C4' energy: -87.926 flat angles C4'-P-C4' energy: -98.020 flat angles P-C4'-P energy: -65.794 tors. eta vs tors. theta energy: -113.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1049.929415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.929415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.929415 (E_RNA) where: Base-Base interactions energy: -644.225 where: short stacking energy: -312.718 Base-Backbone interact. energy: -1.591 local terms energy: -404.114221 where: bonds (distance) C4'-P energy: -83.603 bonds (distance) P-C4' energy: -85.818 flat angles C4'-P-C4' energy: -98.293 flat angles P-C4'-P energy: -66.265 tors. eta vs tors. theta energy: -70.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -878.289420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.289420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.289420 (E_RNA) where: Base-Base interactions energy: -545.001 where: short stacking energy: -238.809 Base-Backbone interact. energy: -2.447 local terms energy: -330.841389 where: bonds (distance) C4'-P energy: -87.033 bonds (distance) P-C4' energy: -78.617 flat angles C4'-P-C4' energy: -91.857 flat angles P-C4'-P energy: -45.326 tors. eta vs tors. theta energy: -28.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -837.657388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.657388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.657388 (E_RNA) where: Base-Base interactions energy: -492.364 where: short stacking energy: -255.903 Base-Backbone interact. energy: 0.911 local terms energy: -346.204576 where: bonds (distance) C4'-P energy: -81.972 bonds (distance) P-C4' energy: -82.939 flat angles C4'-P-C4' energy: -76.631 flat angles P-C4'-P energy: -51.488 tors. eta vs tors. theta energy: -53.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -654.128857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.128857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.128857 (E_RNA) where: Base-Base interactions energy: -362.265 where: short stacking energy: -193.166 Base-Backbone interact. energy: -2.176 local terms energy: -289.688671 where: bonds (distance) C4'-P energy: -61.533 bonds (distance) P-C4' energy: -87.702 flat angles C4'-P-C4' energy: -74.289 flat angles P-C4'-P energy: -42.624 tors. eta vs tors. theta energy: -23.540 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: 9, replica: 4 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -590.937692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.937692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.937692 (E_RNA) where: Base-Base interactions energy: -310.956 where: short stacking energy: -180.110 Base-Backbone interact. energy: 1.699 local terms energy: -281.681197 where: bonds (distance) C4'-P energy: -71.918 bonds (distance) P-C4' energy: -72.144 flat angles C4'-P-C4' energy: -90.077 flat angles P-C4'-P energy: -34.776 tors. eta vs tors. theta energy: -12.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -417.142708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.142708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.142708 (E_RNA) where: Base-Base interactions energy: -172.860 where: short stacking energy: -114.828 Base-Backbone interact. energy: -0.101 local terms energy: -244.182346 where: bonds (distance) C4'-P energy: -66.687 bonds (distance) P-C4' energy: -77.304 flat angles C4'-P-C4' energy: -70.650 flat angles P-C4'-P energy: -42.394 tors. eta vs tors. theta energy: 12.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1399.151748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.151748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.151748 (E_RNA) where: Base-Base interactions energy: -916.359 where: short stacking energy: -451.985 Base-Backbone interact. energy: -0.503 local terms energy: -482.290226 where: bonds (distance) C4'-P energy: -86.219 bonds (distance) P-C4' energy: -93.648 flat angles C4'-P-C4' energy: -103.585 flat angles P-C4'-P energy: -73.044 tors. eta vs tors. theta energy: -125.795 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: 2, replica: 10 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1378.539987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.539987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.539987 (E_RNA) where: Base-Base interactions energy: -894.541 where: short stacking energy: -410.632 Base-Backbone interact. energy: -4.185 local terms energy: -479.813652 where: bonds (distance) C4'-P energy: -99.667 bonds (distance) P-C4' energy: -89.065 flat angles C4'-P-C4' energy: -107.427 flat angles P-C4'-P energy: -66.244 tors. eta vs tors. theta energy: -117.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1249.873780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.873780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.873780 (E_RNA) where: Base-Base interactions energy: -789.343 where: short stacking energy: -387.992 Base-Backbone interact. energy: 0.429 local terms energy: -460.960283 where: bonds (distance) C4'-P energy: -85.555 bonds (distance) P-C4' energy: -96.839 flat angles C4'-P-C4' energy: -102.683 flat angles P-C4'-P energy: -67.667 tors. eta vs tors. theta energy: -108.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1208.119148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.119148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.119148 (E_RNA) where: Base-Base interactions energy: -763.296 where: short stacking energy: -368.379 Base-Backbone interact. energy: -1.215 local terms energy: -443.608525 where: bonds (distance) C4'-P energy: -104.006 bonds (distance) P-C4' energy: -94.219 flat angles C4'-P-C4' energy: -82.226 flat angles P-C4'-P energy: -65.082 tors. eta vs tors. theta energy: -98.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1043.094587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.094587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.094587 (E_RNA) where: Base-Base interactions energy: -630.459 where: short stacking energy: -314.729 Base-Backbone interact. energy: -2.280 local terms energy: -410.355350 where: bonds (distance) C4'-P energy: -81.834 bonds (distance) P-C4' energy: -82.666 flat angles C4'-P-C4' energy: -101.391 flat angles P-C4'-P energy: -58.635 tors. eta vs tors. theta energy: -85.828 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: 8 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -880.884774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.884774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.884774 (E_RNA) where: Base-Base interactions energy: -512.374 where: short stacking energy: -259.291 Base-Backbone interact. energy: -0.739 local terms energy: -367.772330 where: bonds (distance) C4'-P energy: -82.783 bonds (distance) P-C4' energy: -85.152 flat angles C4'-P-C4' energy: -88.234 flat angles P-C4'-P energy: -66.608 tors. eta vs tors. theta energy: -44.996 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: 84 Temperature: 1.200000 Total energy: -773.672576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.672576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.672576 (E_RNA) where: Base-Base interactions energy: -448.488 where: short stacking energy: -230.967 Base-Backbone interact. energy: -2.223 local terms energy: -322.961910 where: bonds (distance) C4'-P energy: -84.286 bonds (distance) P-C4' energy: -76.261 flat angles C4'-P-C4' energy: -64.893 flat angles P-C4'-P energy: -54.110 tors. eta vs tors. theta energy: -43.412 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: 1 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -668.832191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.832191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.832191 (E_RNA) where: Base-Base interactions energy: -354.301 where: short stacking energy: -184.698 Base-Backbone interact. energy: -2.479 local terms energy: -312.052032 where: bonds (distance) C4'-P energy: -75.566 bonds (distance) P-C4' energy: -94.612 flat angles C4'-P-C4' energy: -84.331 flat angles P-C4'-P energy: -39.949 tors. eta vs tors. theta energy: -17.594 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: 84 Temperature: 1.300000 Total energy: -610.638959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.638959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.638959 (E_RNA) where: Base-Base interactions energy: -327.518 where: short stacking energy: -173.305 Base-Backbone interact. energy: 0.019 local terms energy: -283.139563 where: bonds (distance) C4'-P energy: -71.002 bonds (distance) P-C4' energy: -81.267 flat angles C4'-P-C4' energy: -71.263 flat angles P-C4'-P energy: -41.736 tors. eta vs tors. theta energy: -17.872 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: 84 Temperature: 1.350000 Total energy: -363.024671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.024671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.024671 (E_RNA) where: Base-Base interactions energy: -116.326 where: short stacking energy: -69.789 Base-Backbone interact. energy: -1.397 local terms energy: -245.302192 where: bonds (distance) C4'-P energy: -89.852 bonds (distance) P-C4' energy: -82.349 flat angles C4'-P-C4' energy: -65.478 flat angles P-C4'-P energy: -37.455 tors. eta vs tors. theta energy: 29.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1396.675569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.675569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.675569 (E_RNA) where: Base-Base interactions energy: -911.557 where: short stacking energy: -449.463 Base-Backbone interact. energy: -1.337 local terms energy: -483.781892 where: bonds (distance) C4'-P energy: -93.239 bonds (distance) P-C4' energy: -88.287 flat angles C4'-P-C4' energy: -107.425 flat angles P-C4'-P energy: -68.075 tors. eta vs tors. theta energy: -126.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1343.815332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.815332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.815332 (E_RNA) where: Base-Base interactions energy: -874.713 where: short stacking energy: -389.126 Base-Backbone interact. energy: -4.099 local terms energy: -465.003672 where: bonds (distance) C4'-P energy: -89.580 bonds (distance) P-C4' energy: -90.628 flat angles C4'-P-C4' energy: -107.383 flat angles P-C4'-P energy: -67.882 tors. eta vs tors. theta energy: -109.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1294.200376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.200376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.200376 (E_RNA) where: Base-Base interactions energy: -811.537 where: short stacking energy: -389.579 Base-Backbone interact. energy: -1.145 local terms energy: -481.518446 where: bonds (distance) C4'-P energy: -83.790 bonds (distance) P-C4' energy: -98.085 flat angles C4'-P-C4' energy: -100.101 flat angles P-C4'-P energy: -70.275 tors. eta vs tors. theta energy: -129.267 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: 4, replica: 9 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1169.933919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.933919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.933919 (E_RNA) where: Base-Base interactions energy: -758.777 where: short stacking energy: -340.996 Base-Backbone interact. energy: 3.048 local terms energy: -414.204724 where: bonds (distance) C4'-P energy: -90.086 bonds (distance) P-C4' energy: -89.259 flat angles C4'-P-C4' energy: -88.466 flat angles P-C4'-P energy: -60.523 tors. eta vs tors. theta energy: -85.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1065.337669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.337669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.337669 (E_RNA) where: Base-Base interactions energy: -657.836 where: short stacking energy: -307.993 Base-Backbone interact. energy: -2.944 local terms energy: -404.558065 where: bonds (distance) C4'-P energy: -86.538 bonds (distance) P-C4' energy: -78.210 flat angles C4'-P-C4' energy: -86.656 flat angles P-C4'-P energy: -70.409 tors. eta vs tors. theta energy: -82.745 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: 6 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -813.002070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.002070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.002070 (E_RNA) where: Base-Base interactions energy: -457.402 where: short stacking energy: -250.512 Base-Backbone interact. energy: -2.009 local terms energy: -353.590425 where: bonds (distance) C4'-P energy: -80.605 bonds (distance) P-C4' energy: -87.707 flat angles C4'-P-C4' energy: -74.512 flat angles P-C4'-P energy: -56.218 tors. eta vs tors. theta energy: -54.549 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: 8 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -871.741077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.741077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.741077 (E_RNA) where: Base-Base interactions energy: -537.089 where: short stacking energy: -249.470 Base-Backbone interact. energy: -0.322 local terms energy: -334.329754 where: bonds (distance) C4'-P energy: -78.605 bonds (distance) P-C4' energy: -86.084 flat angles C4'-P-C4' energy: -82.283 flat angles P-C4'-P energy: -41.872 tors. eta vs tors. theta energy: -45.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -654.424452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.424452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.424452 (E_RNA) where: Base-Base interactions energy: -352.102 where: short stacking energy: -201.650 Base-Backbone interact. energy: 1.812 local terms energy: -304.134408 where: bonds (distance) C4'-P energy: -73.957 bonds (distance) P-C4' energy: -85.661 flat angles C4'-P-C4' energy: -72.150 flat angles P-C4'-P energy: -42.390 tors. eta vs tors. theta energy: -29.978 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: 9, replica: 4 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -573.007164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.007164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.007164 (E_RNA) where: Base-Base interactions energy: -303.815 where: short stacking energy: -174.086 Base-Backbone interact. energy: 1.835 local terms energy: -271.027175 where: bonds (distance) C4'-P energy: -75.199 bonds (distance) P-C4' energy: -79.721 flat angles C4'-P-C4' energy: -72.965 flat angles P-C4'-P energy: -40.828 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: 7 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -372.808545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.808545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.808545 (E_RNA) where: Base-Base interactions energy: -114.398 where: short stacking energy: -98.704 Base-Backbone interact. energy: 1.392 local terms energy: -259.802364 where: bonds (distance) C4'-P energy: -83.695 bonds (distance) P-C4' energy: -90.452 flat angles C4'-P-C4' energy: -72.161 flat angles P-C4'-P energy: -38.694 tors. eta vs tors. theta energy: 25.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1391.967916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.967916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.967916 (E_RNA) where: Base-Base interactions energy: -909.599 where: short stacking energy: -416.769 Base-Backbone interact. energy: -4.846 local terms energy: -477.522914 where: bonds (distance) C4'-P energy: -93.016 bonds (distance) P-C4' energy: -94.521 flat angles C4'-P-C4' energy: -114.596 flat angles P-C4'-P energy: -68.345 tors. eta vs tors. theta energy: -107.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1314.509895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.509895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.509895 (E_RNA) where: Base-Base interactions energy: -874.772 where: short stacking energy: -392.396 Base-Backbone interact. energy: -2.975 local terms energy: -436.763059 where: bonds (distance) C4'-P energy: -88.503 bonds (distance) P-C4' energy: -78.775 flat angles C4'-P-C4' energy: -95.902 flat angles P-C4'-P energy: -72.765 tors. eta vs tors. theta energy: -100.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1247.427841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.427841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.427841 (E_RNA) where: Base-Base interactions energy: -799.951 where: short stacking energy: -385.504 Base-Backbone interact. energy: -1.278 local terms energy: -446.198305 where: bonds (distance) C4'-P energy: -95.278 bonds (distance) P-C4' energy: -93.586 flat angles C4'-P-C4' energy: -97.149 flat angles P-C4'-P energy: -59.489 tors. eta vs tors. theta energy: -100.697 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: 9 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1153.192042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.192042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.192042 (E_RNA) where: Base-Base interactions energy: -746.347 where: short stacking energy: -322.573 Base-Backbone interact. energy: 2.887 local terms energy: -409.732272 where: bonds (distance) C4'-P energy: -83.734 bonds (distance) P-C4' energy: -104.073 flat angles C4'-P-C4' energy: -85.654 flat angles P-C4'-P energy: -62.620 tors. eta vs tors. theta energy: -73.650 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: 3 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1053.921107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.921107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.921107 (E_RNA) where: Base-Base interactions energy: -660.351 where: short stacking energy: -337.725 Base-Backbone interact. energy: -0.063 local terms energy: -393.506870 where: bonds (distance) C4'-P energy: -88.709 bonds (distance) P-C4' energy: -83.145 flat angles C4'-P-C4' energy: -83.392 flat angles P-C4'-P energy: -55.272 tors. eta vs tors. theta energy: -82.988 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: 6, replica: 6 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -822.618864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.618864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.618864 (E_RNA) where: Base-Base interactions energy: -454.211 where: short stacking energy: -242.954 Base-Backbone interact. energy: -1.855 local terms energy: -366.552398 where: bonds (distance) C4'-P energy: -98.592 bonds (distance) P-C4' energy: -76.053 flat angles C4'-P-C4' energy: -89.950 flat angles P-C4'-P energy: -60.876 tors. eta vs tors. theta energy: -41.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -829.815204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.815204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.815204 (E_RNA) where: Base-Base interactions energy: -505.289 where: short stacking energy: -246.705 Base-Backbone interact. energy: -0.426 local terms energy: -324.099811 where: bonds (distance) C4'-P energy: -70.817 bonds (distance) P-C4' energy: -87.552 flat angles C4'-P-C4' energy: -86.531 flat angles P-C4'-P energy: -38.249 tors. eta vs tors. theta energy: -40.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -632.161770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.161770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.161770 (E_RNA) where: Base-Base interactions energy: -336.444 where: short stacking energy: -183.799 Base-Backbone interact. energy: -2.654 local terms energy: -293.064451 where: bonds (distance) C4'-P energy: -74.878 bonds (distance) P-C4' energy: -84.326 flat angles C4'-P-C4' energy: -88.239 flat angles P-C4'-P energy: -34.509 tors. eta vs tors. theta energy: -11.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -569.326464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.326464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.326464 (E_RNA) where: Base-Base interactions energy: -268.075 where: short stacking energy: -145.586 Base-Backbone interact. energy: -1.143 local terms energy: -300.108144 where: bonds (distance) C4'-P energy: -70.822 bonds (distance) P-C4' energy: -92.995 flat angles C4'-P-C4' energy: -84.637 flat angles P-C4'-P energy: -50.726 tors. eta vs tors. theta energy: -0.928 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: 7 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -398.784679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.784679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.784679 (E_RNA) where: Base-Base interactions energy: -150.125 where: short stacking energy: -130.753 Base-Backbone interact. energy: 4.517 local terms energy: -253.176571 where: bonds (distance) C4'-P energy: -75.296 bonds (distance) P-C4' energy: -74.697 flat angles C4'-P-C4' energy: -62.067 flat angles P-C4'-P energy: -43.714 tors. eta vs tors. theta energy: 2.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1420.961121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.961121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.961121 (E_RNA) where: Base-Base interactions energy: -933.850 where: short stacking energy: -416.613 Base-Backbone interact. energy: -2.098 local terms energy: -485.013616 where: bonds (distance) C4'-P energy: -101.885 bonds (distance) P-C4' energy: -99.885 flat angles C4'-P-C4' energy: -113.617 flat angles P-C4'-P energy: -60.975 tors. eta vs tors. theta energy: -108.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1352.569246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.569246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.569246 (E_RNA) where: Base-Base interactions energy: -875.690 where: short stacking energy: -420.499 Base-Backbone interact. energy: -1.710 local terms energy: -475.169183 where: bonds (distance) C4'-P energy: -86.105 bonds (distance) P-C4' energy: -88.823 flat angles C4'-P-C4' energy: -97.697 flat angles P-C4'-P energy: -79.296 tors. eta vs tors. theta energy: -123.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1271.193023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.193023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.193023 (E_RNA) where: Base-Base interactions energy: -814.213 where: short stacking energy: -396.185 Base-Backbone interact. energy: -0.009 local terms energy: -456.971259 where: bonds (distance) C4'-P energy: -70.655 bonds (distance) P-C4' energy: -91.581 flat angles C4'-P-C4' energy: -107.906 flat angles P-C4'-P energy: -65.660 tors. eta vs tors. theta energy: -121.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1119.524353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.524353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.524353 (E_RNA) where: Base-Base interactions energy: -686.134 where: short stacking energy: -324.027 Base-Backbone interact. energy: -1.799 local terms energy: -431.590969 where: bonds (distance) C4'-P energy: -104.567 bonds (distance) P-C4' energy: -88.755 flat angles C4'-P-C4' energy: -89.944 flat angles P-C4'-P energy: -59.614 tors. eta vs tors. theta energy: -88.711 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: 5, replica: 3 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1021.331865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.331865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.331865 (E_RNA) where: Base-Base interactions energy: -629.297 where: short stacking energy: -292.118 Base-Backbone interact. energy: -1.641 local terms energy: -390.393261 where: bonds (distance) C4'-P energy: -103.009 bonds (distance) P-C4' energy: -73.873 flat angles C4'-P-C4' energy: -83.714 flat angles P-C4'-P energy: -66.109 tors. eta vs tors. theta energy: -63.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -844.035067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.035067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.035067 (E_RNA) where: Base-Base interactions energy: -484.996 where: short stacking energy: -248.963 Base-Backbone interact. energy: -1.578 local terms energy: -357.461513 where: bonds (distance) C4'-P energy: -90.063 bonds (distance) P-C4' energy: -88.186 flat angles C4'-P-C4' energy: -85.009 flat angles P-C4'-P energy: -50.490 tors. eta vs tors. theta energy: -43.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -757.268479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.268479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.268479 (E_RNA) where: Base-Base interactions energy: -428.316 where: short stacking energy: -225.492 Base-Backbone interact. energy: 3.619 local terms energy: -332.571550 where: bonds (distance) C4'-P energy: -78.303 bonds (distance) P-C4' energy: -77.066 flat angles C4'-P-C4' energy: -95.316 flat angles P-C4'-P energy: -54.192 tors. eta vs tors. theta energy: -27.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -586.447415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.447415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.447415 (E_RNA) where: Base-Base interactions energy: -295.736 where: short stacking energy: -145.279 Base-Backbone interact. energy: -0.964 local terms energy: -289.747488 where: bonds (distance) C4'-P energy: -65.482 bonds (distance) P-C4' energy: -85.639 flat angles C4'-P-C4' energy: -79.786 flat angles P-C4'-P energy: -53.436 tors. eta vs tors. theta energy: -5.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -560.151132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.151132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.151132 (E_RNA) where: Base-Base interactions energy: -295.584 where: short stacking energy: -179.081 Base-Backbone interact. energy: -1.665 local terms energy: -262.902359 where: bonds (distance) C4'-P energy: -67.831 bonds (distance) P-C4' energy: -80.492 flat angles C4'-P-C4' energy: -64.580 flat angles P-C4'-P energy: -50.934 tors. eta vs tors. theta energy: 0.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -391.819242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.819242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.819242 (E_RNA) where: Base-Base interactions energy: -146.747 where: short stacking energy: -112.136 Base-Backbone interact. energy: -0.052 local terms energy: -245.019660 where: bonds (distance) C4'-P energy: -67.678 bonds (distance) P-C4' energy: -88.649 flat angles C4'-P-C4' energy: -59.784 flat angles P-C4'-P energy: -40.024 tors. eta vs tors. theta energy: 11.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1411.136053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.136053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.136053 (E_RNA) where: Base-Base interactions energy: -949.294 where: short stacking energy: -396.325 Base-Backbone interact. energy: -0.822 local terms energy: -461.019410 where: bonds (distance) C4'-P energy: -90.869 bonds (distance) P-C4' energy: -93.979 flat angles C4'-P-C4' energy: -112.341 flat angles P-C4'-P energy: -66.451 tors. eta vs tors. theta energy: -97.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1339.143767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.143767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.143767 (E_RNA) where: Base-Base interactions energy: -847.454 where: short stacking energy: -388.608 Base-Backbone interact. energy: -3.649 local terms energy: -488.040822 where: bonds (distance) C4'-P energy: -103.560 bonds (distance) P-C4' energy: -97.522 flat angles C4'-P-C4' energy: -101.699 flat angles P-C4'-P energy: -74.905 tors. eta vs tors. theta energy: -110.356 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: 5 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1260.673826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.673826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.673826 (E_RNA) where: Base-Base interactions energy: -806.820 where: short stacking energy: -368.624 Base-Backbone interact. energy: -0.330 local terms energy: -453.523344 where: bonds (distance) C4'-P energy: -81.387 bonds (distance) P-C4' energy: -98.960 flat angles C4'-P-C4' energy: -104.247 flat angles P-C4'-P energy: -66.913 tors. eta vs tors. theta energy: -102.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1092.611321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.611321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.611321 (E_RNA) where: Base-Base interactions energy: -684.643 where: short stacking energy: -321.637 Base-Backbone interact. energy: 1.547 local terms energy: -409.514874 where: bonds (distance) C4'-P energy: -87.627 bonds (distance) P-C4' energy: -92.901 flat angles C4'-P-C4' energy: -82.577 flat angles P-C4'-P energy: -61.746 tors. eta vs tors. theta energy: -84.664 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: 5, replica: 3 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1032.854049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.854049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.854049 (E_RNA) where: Base-Base interactions energy: -644.939 where: short stacking energy: -309.639 Base-Backbone interact. energy: -3.838 local terms energy: -384.076479 where: bonds (distance) C4'-P energy: -68.844 bonds (distance) P-C4' energy: -84.914 flat angles C4'-P-C4' energy: -99.011 flat angles P-C4'-P energy: -61.346 tors. eta vs tors. theta energy: -69.962 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: 8 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -890.083679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.083679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.083679 (E_RNA) where: Base-Base interactions energy: -521.493 where: short stacking energy: -265.244 Base-Backbone interact. energy: 0.492 local terms energy: -369.082926 where: bonds (distance) C4'-P energy: -94.979 bonds (distance) P-C4' energy: -86.447 flat angles C4'-P-C4' energy: -82.800 flat angles P-C4'-P energy: -55.081 tors. eta vs tors. theta energy: -49.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -727.590198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.590198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.590198 (E_RNA) where: Base-Base interactions energy: -391.355 where: short stacking energy: -223.022 Base-Backbone interact. energy: 1.266 local terms energy: -337.500637 where: bonds (distance) C4'-P energy: -78.831 bonds (distance) P-C4' energy: -84.829 flat angles C4'-P-C4' energy: -94.996 flat angles P-C4'-P energy: -40.050 tors. eta vs tors. theta energy: -38.795 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: 8, replica: 1 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -578.577623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.577623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.577623 (E_RNA) where: Base-Base interactions energy: -281.996 where: short stacking energy: -167.186 Base-Backbone interact. energy: -2.042 local terms energy: -294.539101 where: bonds (distance) C4'-P energy: -87.014 bonds (distance) P-C4' energy: -78.237 flat angles C4'-P-C4' energy: -73.494 flat angles P-C4'-P energy: -48.958 tors. eta vs tors. theta energy: -6.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -590.651410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.651410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.651410 (E_RNA) where: Base-Base interactions energy: -306.846 where: short stacking energy: -170.184 Base-Backbone interact. energy: 1.201 local terms energy: -285.006388 where: bonds (distance) C4'-P energy: -87.732 bonds (distance) P-C4' energy: -83.830 flat angles C4'-P-C4' energy: -71.950 flat angles P-C4'-P energy: -32.455 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: 7 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -368.358209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.358209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.358209 (E_RNA) where: Base-Base interactions energy: -93.270 where: short stacking energy: -76.099 Base-Backbone interact. energy: 1.981 local terms energy: -277.069454 where: bonds (distance) C4'-P energy: -97.306 bonds (distance) P-C4' energy: -80.841 flat angles C4'-P-C4' energy: -64.988 flat angles P-C4'-P energy: -43.935 tors. eta vs tors. theta energy: 10.001 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: 10 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1414.177156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.177156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.177156 (E_RNA) where: Base-Base interactions energy: -929.914 where: short stacking energy: -417.738 Base-Backbone interact. energy: -1.224 local terms energy: -483.039076 where: bonds (distance) C4'-P energy: -88.168 bonds (distance) P-C4' energy: -101.273 flat angles C4'-P-C4' energy: -109.214 flat angles P-C4'-P energy: -69.166 tors. eta vs tors. theta energy: -115.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1334.916382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.916382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.916382 (E_RNA) where: Base-Base interactions energy: -871.048 where: short stacking energy: -411.539 Base-Backbone interact. energy: -0.480 local terms energy: -463.388273 where: bonds (distance) C4'-P energy: -97.828 bonds (distance) P-C4' energy: -89.758 flat angles C4'-P-C4' energy: -93.497 flat angles P-C4'-P energy: -67.752 tors. eta vs tors. theta energy: -114.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -1266.588012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.588012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.588012 (E_RNA) where: Base-Base interactions energy: -806.709 where: short stacking energy: -370.541 Base-Backbone interact. energy: -2.025 local terms energy: -457.853623 where: bonds (distance) C4'-P energy: -88.517 bonds (distance) P-C4' energy: -102.534 flat angles C4'-P-C4' energy: -103.736 flat angles P-C4'-P energy: -62.500 tors. eta vs tors. theta energy: -100.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1115.518485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.518485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.518485 (E_RNA) where: Base-Base interactions energy: -711.102 where: short stacking energy: -342.522 Base-Backbone interact. energy: -2.240 local terms energy: -402.176595 where: bonds (distance) C4'-P energy: -100.277 bonds (distance) P-C4' energy: -81.999 flat angles C4'-P-C4' energy: -84.500 flat angles P-C4'-P energy: -59.033 tors. eta vs tors. theta energy: -76.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1058.734962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.734962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.734962 (E_RNA) where: Base-Base interactions energy: -659.674 where: short stacking energy: -307.831 Base-Backbone interact. energy: -1.095 local terms energy: -397.965817 where: bonds (distance) C4'-P energy: -79.602 bonds (distance) P-C4' energy: -82.974 flat angles C4'-P-C4' energy: -99.758 flat angles P-C4'-P energy: -56.884 tors. eta vs tors. theta energy: -78.749 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: 8 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -882.324311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.324311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.324311 (E_RNA) where: Base-Base interactions energy: -530.000 where: short stacking energy: -254.540 Base-Backbone interact. energy: 1.582 local terms energy: -353.906520 where: bonds (distance) C4'-P energy: -94.014 bonds (distance) P-C4' energy: -102.027 flat angles C4'-P-C4' energy: -73.252 flat angles P-C4'-P energy: -54.073 tors. eta vs tors. theta energy: -30.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -752.959733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.959733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.959733 (E_RNA) where: Base-Base interactions energy: -426.078 where: short stacking energy: -209.177 Base-Backbone interact. energy: 1.283 local terms energy: -328.164845 where: bonds (distance) C4'-P energy: -87.307 bonds (distance) P-C4' energy: -90.496 flat angles C4'-P-C4' energy: -80.231 flat angles P-C4'-P energy: -43.993 tors. eta vs tors. theta energy: -26.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -626.457172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.457172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.457172 (E_RNA) where: Base-Base interactions energy: -334.805 where: short stacking energy: -201.629 Base-Backbone interact. energy: -1.303 local terms energy: -290.349402 where: bonds (distance) C4'-P energy: -81.754 bonds (distance) P-C4' energy: -88.279 flat angles C4'-P-C4' energy: -64.502 flat angles P-C4'-P energy: -48.688 tors. eta vs tors. theta energy: -7.127 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: 4 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -666.024762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.024762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.024762 (E_RNA) where: Base-Base interactions energy: -375.185 where: short stacking energy: -207.431 Base-Backbone interact. energy: 0.843 local terms energy: -291.683034 where: bonds (distance) C4'-P energy: -66.492 bonds (distance) P-C4' energy: -82.578 flat angles C4'-P-C4' energy: -86.852 flat angles P-C4'-P energy: -38.585 tors. eta vs tors. theta energy: -17.177 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: 89 Temperature: 1.350000 Total energy: -411.881632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.881632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.881632 (E_RNA) where: Base-Base interactions energy: -134.249 where: short stacking energy: -111.208 Base-Backbone interact. energy: -0.382 local terms energy: -277.251285 where: bonds (distance) C4'-P energy: -70.286 bonds (distance) P-C4' energy: -94.619 flat angles C4'-P-C4' energy: -67.143 flat angles P-C4'-P energy: -47.502 tors. eta vs tors. theta energy: 2.297 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: 10 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1402.583663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.583663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.583663 (E_RNA) where: Base-Base interactions energy: -913.828 where: short stacking energy: -417.393 Base-Backbone interact. energy: -5.250 local terms energy: -483.505504 where: bonds (distance) C4'-P energy: -99.210 bonds (distance) P-C4' energy: -102.025 flat angles C4'-P-C4' energy: -110.404 flat angles P-C4'-P energy: -60.183 tors. eta vs tors. theta energy: -111.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1360.289736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.289736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.289736 (E_RNA) where: Base-Base interactions energy: -882.588 where: short stacking energy: -402.621 Base-Backbone interact. energy: -0.957 local terms energy: -476.744944 where: bonds (distance) C4'-P energy: -102.818 bonds (distance) P-C4' energy: -94.597 flat angles C4'-P-C4' energy: -105.143 flat angles P-C4'-P energy: -60.441 tors. eta vs tors. theta energy: -113.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1295.633737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.633737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.633737 (E_RNA) where: Base-Base interactions energy: -808.725 where: short stacking energy: -392.000 Base-Backbone interact. energy: -1.615 local terms energy: -485.293268 where: bonds (distance) C4'-P energy: -97.376 bonds (distance) P-C4' energy: -87.456 flat angles C4'-P-C4' energy: -109.962 flat angles P-C4'-P energy: -75.277 tors. eta vs tors. theta energy: -115.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1127.437097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.437097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.437097 (E_RNA) where: Base-Base interactions energy: -719.191 where: short stacking energy: -333.881 Base-Backbone interact. energy: 1.536 local terms energy: -409.782911 where: bonds (distance) C4'-P energy: -92.187 bonds (distance) P-C4' energy: -96.263 flat angles C4'-P-C4' energy: -85.582 flat angles P-C4'-P energy: -55.379 tors. eta vs tors. theta energy: -80.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1076.494102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.494102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.494102 (E_RNA) where: Base-Base interactions energy: -700.330 where: short stacking energy: -321.394 Base-Backbone interact. energy: 1.409 local terms energy: -377.572400 where: bonds (distance) C4'-P energy: -78.468 bonds (distance) P-C4' energy: -86.260 flat angles C4'-P-C4' energy: -70.907 flat angles P-C4'-P energy: -61.266 tors. eta vs tors. theta energy: -80.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -852.578428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.578428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.578428 (E_RNA) where: Base-Base interactions energy: -504.182 where: short stacking energy: -252.693 Base-Backbone interact. energy: 5.532 local terms energy: -353.928755 where: bonds (distance) C4'-P energy: -79.416 bonds (distance) P-C4' energy: -100.197 flat angles C4'-P-C4' energy: -91.476 flat angles P-C4'-P energy: -56.402 tors. eta vs tors. theta energy: -26.438 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: 6 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -718.152977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.152977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.152977 (E_RNA) where: Base-Base interactions energy: -405.541 where: short stacking energy: -192.869 Base-Backbone interact. energy: 1.204 local terms energy: -313.815776 where: bonds (distance) C4'-P energy: -74.083 bonds (distance) P-C4' energy: -89.637 flat angles C4'-P-C4' energy: -86.235 flat angles P-C4'-P energy: -46.952 tors. eta vs tors. theta energy: -16.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -639.935145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.935145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.935145 (E_RNA) where: Base-Base interactions energy: -347.696 where: short stacking energy: -175.099 Base-Backbone interact. energy: -0.778 local terms energy: -291.460839 where: bonds (distance) C4'-P energy: -65.563 bonds (distance) P-C4' energy: -95.348 flat angles C4'-P-C4' energy: -61.573 flat angles P-C4'-P energy: -43.189 tors. eta vs tors. theta energy: -25.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -681.161867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.161867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.161867 (E_RNA) where: Base-Base interactions energy: -359.809 where: short stacking energy: -183.168 Base-Backbone interact. energy: 0.779 local terms energy: -322.132474 where: bonds (distance) C4'-P energy: -87.382 bonds (distance) P-C4' energy: -98.766 flat angles C4'-P-C4' energy: -87.649 flat angles P-C4'-P energy: -30.868 tors. eta vs tors. theta energy: -17.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -372.977292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.977292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.977292 (E_RNA) where: Base-Base interactions energy: -127.778 where: short stacking energy: -117.065 Base-Backbone interact. energy: 0.903 local terms energy: -246.102188 where: bonds (distance) C4'-P energy: -65.794 bonds (distance) P-C4' energy: -82.399 flat angles C4'-P-C4' energy: -76.331 flat angles P-C4'-P energy: -38.829 tors. eta vs tors. theta energy: 17.251 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: 1, replica: 10 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1426.987477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.987477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.987477 (E_RNA) where: Base-Base interactions energy: -954.984 where: short stacking energy: -424.929 Base-Backbone interact. energy: -1.542 local terms energy: -470.461026 where: bonds (distance) C4'-P energy: -93.829 bonds (distance) P-C4' energy: -93.419 flat angles C4'-P-C4' energy: -98.549 flat angles P-C4'-P energy: -69.925 tors. eta vs tors. theta energy: -114.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1358.179865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.179865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.179865 (E_RNA) where: Base-Base interactions energy: -876.115 where: short stacking energy: -409.683 Base-Backbone interact. energy: -2.780 local terms energy: -479.284642 where: bonds (distance) C4'-P energy: -98.946 bonds (distance) P-C4' energy: -102.750 flat angles C4'-P-C4' energy: -107.976 flat angles P-C4'-P energy: -55.919 tors. eta vs tors. theta energy: -113.695 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: 5 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1284.985139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.985139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.985139 (E_RNA) where: Base-Base interactions energy: -826.969 where: short stacking energy: -395.396 Base-Backbone interact. energy: -0.594 local terms energy: -457.421580 where: bonds (distance) C4'-P energy: -87.129 bonds (distance) P-C4' energy: -98.022 flat angles C4'-P-C4' energy: -97.234 flat angles P-C4'-P energy: -71.320 tors. eta vs tors. theta energy: -103.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1197.919365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.919365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.919365 (E_RNA) where: Base-Base interactions energy: -777.552 where: short stacking energy: -387.918 Base-Backbone interact. energy: 1.785 local terms energy: -422.153218 where: bonds (distance) C4'-P energy: -82.423 bonds (distance) P-C4' energy: -89.667 flat angles C4'-P-C4' energy: -95.464 flat angles P-C4'-P energy: -64.446 tors. eta vs tors. theta energy: -90.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1045.280566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.280566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.280566 (E_RNA) where: Base-Base interactions energy: -634.463 where: short stacking energy: -310.462 Base-Backbone interact. energy: -1.988 local terms energy: -408.828835 where: bonds (distance) C4'-P energy: -86.744 bonds (distance) P-C4' energy: -90.890 flat angles C4'-P-C4' energy: -102.810 flat angles P-C4'-P energy: -52.490 tors. eta vs tors. theta energy: -75.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -946.128828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.128828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.128828 (E_RNA) where: Base-Base interactions energy: -575.260 where: short stacking energy: -293.754 Base-Backbone interact. energy: -2.673 local terms energy: -368.196785 where: bonds (distance) C4'-P energy: -75.543 bonds (distance) P-C4' energy: -93.605 flat angles C4'-P-C4' energy: -92.497 flat angles P-C4'-P energy: -58.067 tors. eta vs tors. theta energy: -48.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -747.825352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.825352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.825352 (E_RNA) where: Base-Base interactions energy: -435.368 where: short stacking energy: -209.489 Base-Backbone interact. energy: -2.825 local terms energy: -309.632056 where: bonds (distance) C4'-P energy: -83.253 bonds (distance) P-C4' energy: -81.526 flat angles C4'-P-C4' energy: -78.732 flat angles P-C4'-P energy: -44.189 tors. eta vs tors. theta energy: -21.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -708.914770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.914770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.914770 (E_RNA) where: Base-Base interactions energy: -385.327 where: short stacking energy: -173.428 Base-Backbone interact. energy: -1.170 local terms energy: -322.417722 where: bonds (distance) C4'-P energy: -87.903 bonds (distance) P-C4' energy: -90.057 flat angles C4'-P-C4' energy: -92.815 flat angles P-C4'-P energy: -37.901 tors. eta vs tors. theta energy: -13.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -583.084276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.084276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.084276 (E_RNA) where: Base-Base interactions energy: -290.072 where: short stacking energy: -158.247 Base-Backbone interact. energy: -0.426 local terms energy: -292.586722 where: bonds (distance) C4'-P energy: -91.415 bonds (distance) P-C4' energy: -79.536 flat angles C4'-P-C4' energy: -77.333 flat angles P-C4'-P energy: -42.342 tors. eta vs tors. theta energy: -1.962 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: 91 Temperature: 1.350000 Total energy: -351.137382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.137382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.137382 (E_RNA) where: Base-Base interactions energy: -119.977 where: short stacking energy: -93.939 Base-Backbone interact. energy: 1.576 local terms energy: -232.736471 where: bonds (distance) C4'-P energy: -81.270 bonds (distance) P-C4' energy: -75.553 flat angles C4'-P-C4' energy: -58.108 flat angles P-C4'-P energy: -37.909 tors. eta vs tors. theta energy: 20.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1438.940844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.940844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.940844 (E_RNA) where: Base-Base interactions energy: -951.562 where: short stacking energy: -441.525 Base-Backbone interact. energy: -0.947 local terms energy: -486.430966 where: bonds (distance) C4'-P energy: -99.372 bonds (distance) P-C4' energy: -106.948 flat angles C4'-P-C4' energy: -100.017 flat angles P-C4'-P energy: -70.063 tors. eta vs tors. theta energy: -110.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1361.634915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.634915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.634915 (E_RNA) where: Base-Base interactions energy: -867.334 where: short stacking energy: -405.140 Base-Backbone interact. energy: -2.784 local terms energy: -491.516712 where: bonds (distance) C4'-P energy: -90.459 bonds (distance) P-C4' energy: -100.237 flat angles C4'-P-C4' energy: -106.324 flat angles P-C4'-P energy: -70.165 tors. eta vs tors. theta energy: -124.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1221.193872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.193872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.193872 (E_RNA) where: Base-Base interactions energy: -770.902 where: short stacking energy: -368.659 Base-Backbone interact. energy: -1.411 local terms energy: -448.881253 where: bonds (distance) C4'-P energy: -86.911 bonds (distance) P-C4' energy: -97.596 flat angles C4'-P-C4' energy: -89.262 flat angles P-C4'-P energy: -74.106 tors. eta vs tors. theta energy: -101.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1116.037576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.037576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.037576 (E_RNA) where: Base-Base interactions energy: -693.080 where: short stacking energy: -335.833 Base-Backbone interact. energy: -2.616 local terms energy: -420.341695 where: bonds (distance) C4'-P energy: -92.519 bonds (distance) P-C4' energy: -92.723 flat angles C4'-P-C4' energy: -87.708 flat angles P-C4'-P energy: -65.260 tors. eta vs tors. theta energy: -82.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -995.436908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.436908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.436908 (E_RNA) where: Base-Base interactions energy: -606.833 where: short stacking energy: -290.742 Base-Backbone interact. energy: 1.131 local terms energy: -389.734614 where: bonds (distance) C4'-P energy: -77.918 bonds (distance) P-C4' energy: -85.411 flat angles C4'-P-C4' energy: -89.664 flat angles P-C4'-P energy: -63.636 tors. eta vs tors. theta energy: -73.106 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: 3 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -982.488105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.488105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.488105 (E_RNA) where: Base-Base interactions energy: -612.002 where: short stacking energy: -301.413 Base-Backbone interact. energy: 3.143 local terms energy: -373.628911 where: bonds (distance) C4'-P energy: -89.763 bonds (distance) P-C4' energy: -94.591 flat angles C4'-P-C4' energy: -82.581 flat angles P-C4'-P energy: -52.024 tors. eta vs tors. theta energy: -54.669 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: 7, replica: 4 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -760.937134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.937134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.937134 (E_RNA) where: Base-Base interactions energy: -445.088 where: short stacking energy: -235.205 Base-Backbone interact. energy: 8.670 local terms energy: -324.519148 where: bonds (distance) C4'-P energy: -83.785 bonds (distance) P-C4' energy: -68.120 flat angles C4'-P-C4' energy: -94.135 flat angles P-C4'-P energy: -56.771 tors. eta vs tors. theta energy: -21.709 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: 92 Temperature: 1.250000 Total energy: -715.142455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.142455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.142455 (E_RNA) where: Base-Base interactions energy: -413.558 where: short stacking energy: -201.911 Base-Backbone interact. energy: -1.768 local terms energy: -299.816244 where: bonds (distance) C4'-P energy: -87.594 bonds (distance) P-C4' energy: -73.364 flat angles C4'-P-C4' energy: -66.136 flat angles P-C4'-P energy: -45.677 tors. eta vs tors. theta energy: -27.045 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: 1 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -512.162065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.162065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.162065 (E_RNA) where: Base-Base interactions energy: -246.861 where: short stacking energy: -126.308 Base-Backbone interact. energy: 0.769 local terms energy: -266.069680 where: bonds (distance) C4'-P energy: -70.749 bonds (distance) P-C4' energy: -97.499 flat angles C4'-P-C4' energy: -69.316 flat angles P-C4'-P energy: -41.066 tors. eta vs tors. theta energy: 12.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -366.607264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.607264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.607264 (E_RNA) where: Base-Base interactions energy: -139.917 where: short stacking energy: -116.264 Base-Backbone interact. energy: 1.648 local terms energy: -228.337708 where: bonds (distance) C4'-P energy: -56.949 bonds (distance) P-C4' energy: -95.586 flat angles C4'-P-C4' energy: -57.640 flat angles P-C4'-P energy: -36.558 tors. eta vs tors. theta energy: 18.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1442.954014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.954014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.954014 (E_RNA) where: Base-Base interactions energy: -969.086 where: short stacking energy: -425.081 Base-Backbone interact. energy: -1.999 local terms energy: -471.869621 where: bonds (distance) C4'-P energy: -103.287 bonds (distance) P-C4' energy: -87.712 flat angles C4'-P-C4' energy: -91.980 flat angles P-C4'-P energy: -69.054 tors. eta vs tors. theta energy: -119.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -1351.303981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.303981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.303981 (E_RNA) where: Base-Base interactions energy: -892.876 where: short stacking energy: -420.557 Base-Backbone interact. energy: -1.332 local terms energy: -457.096098 where: bonds (distance) C4'-P energy: -81.785 bonds (distance) P-C4' energy: -84.087 flat angles C4'-P-C4' energy: -103.350 flat angles P-C4'-P energy: -66.778 tors. eta vs tors. theta energy: -121.097 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: 5 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1249.744700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.744700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.744700 (E_RNA) where: Base-Base interactions energy: -806.746 where: short stacking energy: -382.372 Base-Backbone interact. energy: -3.408 local terms energy: -439.590618 where: bonds (distance) C4'-P energy: -89.567 bonds (distance) P-C4' energy: -99.148 flat angles C4'-P-C4' energy: -92.677 flat angles P-C4'-P energy: -55.919 tors. eta vs tors. theta energy: -102.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1140.029729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.029729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.029729 (E_RNA) where: Base-Base interactions energy: -725.028 where: short stacking energy: -352.592 Base-Backbone interact. energy: 0.046 local terms energy: -415.047425 where: bonds (distance) C4'-P energy: -85.089 bonds (distance) P-C4' energy: -80.972 flat angles C4'-P-C4' energy: -93.510 flat angles P-C4'-P energy: -58.794 tors. eta vs tors. theta energy: -96.682 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: 93 Temperature: 1.100000 Total energy: -991.782394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.782394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.782394 (E_RNA) where: Base-Base interactions energy: -638.210 where: short stacking energy: -290.658 Base-Backbone interact. energy: 3.092 local terms energy: -356.665069 where: bonds (distance) C4'-P energy: -76.392 bonds (distance) P-C4' energy: -80.026 flat angles C4'-P-C4' energy: -84.640 flat angles P-C4'-P energy: -59.371 tors. eta vs tors. theta energy: -56.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -974.039778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.039778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.039778 (E_RNA) where: Base-Base interactions energy: -608.662 where: short stacking energy: -268.988 Base-Backbone interact. energy: 1.085 local terms energy: -366.462069 where: bonds (distance) C4'-P energy: -85.820 bonds (distance) P-C4' energy: -90.495 flat angles C4'-P-C4' energy: -80.420 flat angles P-C4'-P energy: -55.598 tors. eta vs tors. theta energy: -54.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -703.889978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.889978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.889978 (E_RNA) where: Base-Base interactions energy: -389.588 where: short stacking energy: -207.821 Base-Backbone interact. energy: 0.824 local terms energy: -315.125933 where: bonds (distance) C4'-P energy: -87.798 bonds (distance) P-C4' energy: -86.475 flat angles C4'-P-C4' energy: -66.034 flat angles P-C4'-P energy: -46.190 tors. eta vs tors. theta energy: -28.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -744.735811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.735811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.735811 (E_RNA) where: Base-Base interactions energy: -413.523 where: short stacking energy: -216.243 Base-Backbone interact. energy: -0.980 local terms energy: -330.232760 where: bonds (distance) C4'-P energy: -74.214 bonds (distance) P-C4' energy: -90.933 flat angles C4'-P-C4' energy: -81.085 flat angles P-C4'-P energy: -48.434 tors. eta vs tors. theta energy: -35.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -555.637349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.637349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.637349 (E_RNA) where: Base-Base interactions energy: -281.151 where: short stacking energy: -164.183 Base-Backbone interact. energy: -0.161 local terms energy: -274.325985 where: bonds (distance) C4'-P energy: -64.916 bonds (distance) P-C4' energy: -83.437 flat angles C4'-P-C4' energy: -60.840 flat angles P-C4'-P energy: -54.547 tors. eta vs tors. theta energy: -10.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -395.992336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.992336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.992336 (E_RNA) where: Base-Base interactions energy: -110.704 where: short stacking energy: -86.417 Base-Backbone interact. energy: -2.140 local terms energy: -283.147735 where: bonds (distance) C4'-P energy: -94.441 bonds (distance) P-C4' energy: -82.058 flat angles C4'-P-C4' energy: -62.230 flat angles P-C4'-P energy: -60.787 tors. eta vs tors. theta energy: 16.368 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: 10 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1444.302769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.302769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.302769 (E_RNA) where: Base-Base interactions energy: -964.168 where: short stacking energy: -417.183 Base-Backbone interact. energy: -2.571 local terms energy: -477.564408 where: bonds (distance) C4'-P energy: -80.733 bonds (distance) P-C4' energy: -101.519 flat angles C4'-P-C4' energy: -106.164 flat angles P-C4'-P energy: -73.513 tors. eta vs tors. theta energy: -115.635 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: 2, replica: 2 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1335.531102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.531102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.531102 (E_RNA) where: Base-Base interactions energy: -886.573 where: short stacking energy: -395.031 Base-Backbone interact. energy: -0.733 local terms energy: -448.224699 where: bonds (distance) C4'-P energy: -90.565 bonds (distance) P-C4' energy: -97.647 flat angles C4'-P-C4' energy: -93.846 flat angles P-C4'-P energy: -66.782 tors. eta vs tors. theta energy: -99.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1314.292806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.292806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.292806 (E_RNA) where: Base-Base interactions energy: -853.708 where: short stacking energy: -404.982 Base-Backbone interact. energy: -2.813 local terms energy: -457.772468 where: bonds (distance) C4'-P energy: -97.814 bonds (distance) P-C4' energy: -97.694 flat angles C4'-P-C4' energy: -102.145 flat angles P-C4'-P energy: -49.892 tors. eta vs tors. theta energy: -110.227 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: 4, replica: 9 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1112.025811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.025811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.025811 (E_RNA) where: Base-Base interactions energy: -694.529 where: short stacking energy: -324.077 Base-Backbone interact. energy: -1.573 local terms energy: -415.923549 where: bonds (distance) C4'-P energy: -93.989 bonds (distance) P-C4' energy: -77.777 flat angles C4'-P-C4' energy: -92.065 flat angles P-C4'-P energy: -64.735 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: 5, replica: 8 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1017.846040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.846040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.846040 (E_RNA) where: Base-Base interactions energy: -618.535 where: short stacking energy: -277.360 Base-Backbone interact. energy: 3.296 local terms energy: -402.607028 where: bonds (distance) C4'-P energy: -89.192 bonds (distance) P-C4' energy: -99.559 flat angles C4'-P-C4' energy: -84.058 flat angles P-C4'-P energy: -72.258 tors. eta vs tors. theta energy: -57.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -996.611354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.611354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.611354 (E_RNA) where: Base-Base interactions energy: -621.446 where: short stacking energy: -316.766 Base-Backbone interact. energy: -1.373 local terms energy: -373.792700 where: bonds (distance) C4'-P energy: -61.923 bonds (distance) P-C4' energy: -88.099 flat angles C4'-P-C4' energy: -92.552 flat angles P-C4'-P energy: -56.006 tors. eta vs tors. theta energy: -75.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -756.715332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.715332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.715332 (E_RNA) where: Base-Base interactions energy: -411.186 where: short stacking energy: -216.559 Base-Backbone interact. energy: -2.099 local terms energy: -343.430133 where: bonds (distance) C4'-P energy: -84.635 bonds (distance) P-C4' energy: -92.608 flat angles C4'-P-C4' energy: -90.357 flat angles P-C4'-P energy: -53.604 tors. eta vs tors. theta energy: -22.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -734.236018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.236018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.236018 (E_RNA) where: Base-Base interactions energy: -414.926 where: short stacking energy: -196.363 Base-Backbone interact. energy: -1.790 local terms energy: -317.519778 where: bonds (distance) C4'-P energy: -89.370 bonds (distance) P-C4' energy: -90.187 flat angles C4'-P-C4' energy: -70.249 flat angles P-C4'-P energy: -36.636 tors. eta vs tors. theta energy: -31.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -542.981773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.981773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.981773 (E_RNA) where: Base-Base interactions energy: -268.981 where: short stacking energy: -141.626 Base-Backbone interact. energy: 0.779 local terms energy: -274.779601 where: bonds (distance) C4'-P energy: -78.222 bonds (distance) P-C4' energy: -65.234 flat angles C4'-P-C4' energy: -84.053 flat angles P-C4'-P energy: -37.292 tors. eta vs tors. theta energy: -9.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -428.805389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.805389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.805389 (E_RNA) where: Base-Base interactions energy: -201.640 where: short stacking energy: -123.211 Base-Backbone interact. energy: 4.276 local terms energy: -231.442130 where: bonds (distance) C4'-P energy: -82.792 bonds (distance) P-C4' energy: -71.109 flat angles C4'-P-C4' energy: -64.542 flat angles P-C4'-P energy: -32.944 tors. eta vs tors. theta energy: 19.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1445.072925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.072925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.072925 (E_RNA) where: Base-Base interactions energy: -959.623 where: short stacking energy: -417.136 Base-Backbone interact. energy: -5.044 local terms energy: -480.406009 where: bonds (distance) C4'-P energy: -103.144 bonds (distance) P-C4' energy: -93.666 flat angles C4'-P-C4' energy: -98.132 flat angles P-C4'-P energy: -71.433 tors. eta vs tors. theta energy: -114.030 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: 2 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1332.784662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.784662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.784662 (E_RNA) where: Base-Base interactions energy: -866.493 where: short stacking energy: -376.816 Base-Backbone interact. energy: -3.033 local terms energy: -463.259140 where: bonds (distance) C4'-P energy: -83.134 bonds (distance) P-C4' energy: -107.097 flat angles C4'-P-C4' energy: -101.877 flat angles P-C4'-P energy: -66.680 tors. eta vs tors. theta energy: -104.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1298.850036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.850036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.850036 (E_RNA) where: Base-Base interactions energy: -883.768 where: short stacking energy: -372.271 Base-Backbone interact. energy: 4.263 local terms energy: -419.345143 where: bonds (distance) C4'-P energy: -88.530 bonds (distance) P-C4' energy: -83.136 flat angles C4'-P-C4' energy: -101.443 flat angles P-C4'-P energy: -56.460 tors. eta vs tors. theta energy: -89.776 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: 9 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -1122.077726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.077726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.077726 (E_RNA) where: Base-Base interactions energy: -714.901 where: short stacking energy: -330.672 Base-Backbone interact. energy: 4.297 local terms energy: -411.473870 where: bonds (distance) C4'-P energy: -95.328 bonds (distance) P-C4' energy: -84.363 flat angles C4'-P-C4' energy: -94.928 flat angles P-C4'-P energy: -57.068 tors. eta vs tors. theta energy: -79.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -992.063963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.063963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.063963 (E_RNA) where: Base-Base interactions energy: -627.023 where: short stacking energy: -270.703 Base-Backbone interact. energy: -0.853 local terms energy: -364.187775 where: bonds (distance) C4'-P energy: -87.846 bonds (distance) P-C4' energy: -89.863 flat angles C4'-P-C4' energy: -78.107 flat angles P-C4'-P energy: -58.102 tors. eta vs tors. theta energy: -50.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -958.341624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.341624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.341624 (E_RNA) where: Base-Base interactions energy: -590.631 where: short stacking energy: -296.120 Base-Backbone interact. energy: -0.869 local terms energy: -366.841603 where: bonds (distance) C4'-P energy: -86.767 bonds (distance) P-C4' energy: -63.841 flat angles C4'-P-C4' energy: -94.463 flat angles P-C4'-P energy: -57.342 tors. eta vs tors. theta energy: -64.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -762.147701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.147701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.147701 (E_RNA) where: Base-Base interactions energy: -428.935 where: short stacking energy: -217.986 Base-Backbone interact. energy: -0.021 local terms energy: -333.191863 where: bonds (distance) C4'-P energy: -77.879 bonds (distance) P-C4' energy: -90.381 flat angles C4'-P-C4' energy: -95.980 flat angles P-C4'-P energy: -33.859 tors. eta vs tors. theta energy: -35.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -685.294846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.294846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.294846 (E_RNA) where: Base-Base interactions energy: -381.747 where: short stacking energy: -187.743 Base-Backbone interact. energy: 0.265 local terms energy: -303.813126 where: bonds (distance) C4'-P energy: -88.206 bonds (distance) P-C4' energy: -78.818 flat angles C4'-P-C4' energy: -64.057 flat angles P-C4'-P energy: -54.171 tors. eta vs tors. theta energy: -18.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -539.314037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.314037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.314037 (E_RNA) where: Base-Base interactions energy: -249.695 where: short stacking energy: -137.452 Base-Backbone interact. energy: -0.877 local terms energy: -288.741674 where: bonds (distance) C4'-P energy: -77.597 bonds (distance) P-C4' energy: -86.362 flat angles C4'-P-C4' energy: -68.800 flat angles P-C4'-P energy: -57.413 tors. eta vs tors. theta energy: 1.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -384.343236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.343236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.343236 (E_RNA) where: Base-Base interactions energy: -150.897 where: short stacking energy: -112.907 Base-Backbone interact. energy: -0.522 local terms energy: -232.923945 where: bonds (distance) C4'-P energy: -70.062 bonds (distance) P-C4' energy: -87.075 flat angles C4'-P-C4' energy: -64.849 flat angles P-C4'-P energy: -33.916 tors. eta vs tors. theta energy: 22.977 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: 10 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1446.279572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.279572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.279572 (E_RNA) where: Base-Base interactions energy: -965.274 where: short stacking energy: -430.994 Base-Backbone interact. energy: -2.351 local terms energy: -478.654802 where: bonds (distance) C4'-P energy: -90.689 bonds (distance) P-C4' energy: -93.516 flat angles C4'-P-C4' energy: -110.349 flat angles P-C4'-P energy: -66.237 tors. eta vs tors. theta energy: -117.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1358.049321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.049321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.049321 (E_RNA) where: Base-Base interactions energy: -885.648 where: short stacking energy: -408.618 Base-Backbone interact. energy: 1.731 local terms energy: -474.132390 where: bonds (distance) C4'-P energy: -85.474 bonds (distance) P-C4' energy: -97.893 flat angles C4'-P-C4' energy: -108.085 flat angles P-C4'-P energy: -63.916 tors. eta vs tors. theta energy: -118.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1270.308859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.308859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.308859 (E_RNA) where: Base-Base interactions energy: -809.487 where: short stacking energy: -365.071 Base-Backbone interact. energy: -3.813 local terms energy: -457.008758 where: bonds (distance) C4'-P energy: -91.967 bonds (distance) P-C4' energy: -98.123 flat angles C4'-P-C4' energy: -93.154 flat angles P-C4'-P energy: -68.628 tors. eta vs tors. theta energy: -105.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1127.113713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.113713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.113713 (E_RNA) where: Base-Base interactions energy: -725.523 where: short stacking energy: -365.876 Base-Backbone interact. energy: -1.051 local terms energy: -400.538740 where: bonds (distance) C4'-P energy: -82.021 bonds (distance) P-C4' energy: -79.399 flat angles C4'-P-C4' energy: -88.642 flat angles P-C4'-P energy: -62.394 tors. eta vs tors. theta energy: -88.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1036.605300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.605300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.605300 (E_RNA) where: Base-Base interactions energy: -627.802 where: short stacking energy: -302.196 Base-Backbone interact. energy: -1.297 local terms energy: -407.506472 where: bonds (distance) C4'-P energy: -95.623 bonds (distance) P-C4' energy: -84.496 flat angles C4'-P-C4' energy: -86.129 flat angles P-C4'-P energy: -63.460 tors. eta vs tors. theta energy: -77.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -969.748486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.748486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.748486 (E_RNA) where: Base-Base interactions energy: -615.561 where: short stacking energy: -265.783 Base-Backbone interact. energy: -2.973 local terms energy: -351.214159 where: bonds (distance) C4'-P energy: -82.118 bonds (distance) P-C4' energy: -86.374 flat angles C4'-P-C4' energy: -84.100 flat angles P-C4'-P energy: -44.900 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: 4 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -796.700024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.700024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.700024 (E_RNA) where: Base-Base interactions energy: -460.709 where: short stacking energy: -250.324 Base-Backbone interact. energy: -0.917 local terms energy: -335.074786 where: bonds (distance) C4'-P energy: -70.877 bonds (distance) P-C4' energy: -95.395 flat angles C4'-P-C4' energy: -74.312 flat angles P-C4'-P energy: -42.029 tors. eta vs tors. theta energy: -52.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -703.650384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.650384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.650384 (E_RNA) where: Base-Base interactions energy: -387.981 where: short stacking energy: -200.528 Base-Backbone interact. energy: -1.198 local terms energy: -314.470923 where: bonds (distance) C4'-P energy: -89.132 bonds (distance) P-C4' energy: -77.110 flat angles C4'-P-C4' energy: -86.131 flat angles P-C4'-P energy: -38.151 tors. eta vs tors. theta energy: -23.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -513.411477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.411477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.411477 (E_RNA) where: Base-Base interactions energy: -233.845 where: short stacking energy: -148.428 Base-Backbone interact. energy: 1.829 local terms energy: -281.395120 where: bonds (distance) C4'-P energy: -81.452 bonds (distance) P-C4' energy: -85.888 flat angles C4'-P-C4' energy: -81.696 flat angles P-C4'-P energy: -35.967 tors. eta vs tors. theta energy: 3.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -380.367169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.367169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.367169 (E_RNA) where: Base-Base interactions energy: -139.252 where: short stacking energy: -118.307 Base-Backbone interact. energy: -0.610 local terms energy: -240.505361 where: bonds (distance) C4'-P energy: -66.135 bonds (distance) P-C4' energy: -78.729 flat angles C4'-P-C4' energy: -74.104 flat angles P-C4'-P energy: -36.555 tors. eta vs tors. theta energy: 15.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1430.870697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.870697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.870697 (E_RNA) where: Base-Base interactions energy: -935.983 where: short stacking energy: -425.227 Base-Backbone interact. energy: -4.514 local terms energy: -490.373168 where: bonds (distance) C4'-P energy: -90.540 bonds (distance) P-C4' energy: -101.352 flat angles C4'-P-C4' energy: -103.608 flat angles P-C4'-P energy: -77.677 tors. eta vs tors. theta energy: -117.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1370.860717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.860717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.860717 (E_RNA) where: Base-Base interactions energy: -898.425 where: short stacking energy: -395.225 Base-Backbone interact. energy: -0.828 local terms energy: -471.607536 where: bonds (distance) C4'-P energy: -81.314 bonds (distance) P-C4' energy: -96.181 flat angles C4'-P-C4' energy: -112.941 flat angles P-C4'-P energy: -67.478 tors. eta vs tors. theta energy: -113.694 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: 5 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1311.917055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.917055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.917055 (E_RNA) where: Base-Base interactions energy: -890.422 where: short stacking energy: -404.156 Base-Backbone interact. energy: -2.147 local terms energy: -419.347553 where: bonds (distance) C4'-P energy: -70.428 bonds (distance) P-C4' energy: -83.129 flat angles C4'-P-C4' energy: -95.952 flat angles P-C4'-P energy: -59.248 tors. eta vs tors. theta energy: -110.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -1131.427959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.427959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.427959 (E_RNA) where: Base-Base interactions energy: -728.489 where: short stacking energy: -331.508 Base-Backbone interact. energy: -0.465 local terms energy: -402.473691 where: bonds (distance) C4'-P energy: -91.454 bonds (distance) P-C4' energy: -84.812 flat angles C4'-P-C4' energy: -89.693 flat angles P-C4'-P energy: -64.401 tors. eta vs tors. theta energy: -72.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1044.066432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.066432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.066432 (E_RNA) where: Base-Base interactions energy: -656.416 where: short stacking energy: -315.866 Base-Backbone interact. energy: 0.148 local terms energy: -387.798157 where: bonds (distance) C4'-P energy: -71.547 bonds (distance) P-C4' energy: -96.072 flat angles C4'-P-C4' energy: -97.437 flat angles P-C4'-P energy: -50.540 tors. eta vs tors. theta energy: -72.202 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: 97 Temperature: 1.150000 Total energy: -947.332921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.332921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.332921 (E_RNA) where: Base-Base interactions energy: -614.324 where: short stacking energy: -275.419 Base-Backbone interact. energy: 3.170 local terms energy: -336.179151 where: bonds (distance) C4'-P energy: -63.850 bonds (distance) P-C4' energy: -89.783 flat angles C4'-P-C4' energy: -81.530 flat angles P-C4'-P energy: -45.497 tors. eta vs tors. theta energy: -55.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -789.366198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.366198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.366198 (E_RNA) where: Base-Base interactions energy: -454.885 where: short stacking energy: -236.701 Base-Backbone interact. energy: 2.475 local terms energy: -336.956782 where: bonds (distance) C4'-P energy: -69.173 bonds (distance) P-C4' energy: -105.878 flat angles C4'-P-C4' energy: -85.465 flat angles P-C4'-P energy: -42.567 tors. eta vs tors. theta energy: -33.873 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: 8, replica: 6 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -683.445087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.445087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.445087 (E_RNA) where: Base-Base interactions energy: -398.146 where: short stacking energy: -193.300 Base-Backbone interact. energy: -0.923 local terms energy: -284.376877 where: bonds (distance) C4'-P energy: -79.863 bonds (distance) P-C4' energy: -86.696 flat angles C4'-P-C4' energy: -74.619 flat angles P-C4'-P energy: -35.481 tors. eta vs tors. theta energy: -7.718 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: 1 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -534.327834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.327834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.327834 (E_RNA) where: Base-Base interactions energy: -256.074 where: short stacking energy: -170.185 Base-Backbone interact. energy: -1.399 local terms energy: -276.855116 where: bonds (distance) C4'-P energy: -70.695 bonds (distance) P-C4' energy: -70.972 flat angles C4'-P-C4' energy: -86.783 flat angles P-C4'-P energy: -44.989 tors. eta vs tors. theta energy: -3.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -380.544713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.544713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.544713 (E_RNA) where: Base-Base interactions energy: -119.620 where: short stacking energy: -98.017 Base-Backbone interact. energy: -1.402 local terms energy: -259.522163 where: bonds (distance) C4'-P energy: -61.864 bonds (distance) P-C4' energy: -87.516 flat angles C4'-P-C4' energy: -76.800 flat angles P-C4'-P energy: -49.628 tors. eta vs tors. theta energy: 16.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1433.231288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.231288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.231288 (E_RNA) where: Base-Base interactions energy: -944.477 where: short stacking energy: -403.447 Base-Backbone interact. energy: -5.147 local terms energy: -483.607452 where: bonds (distance) C4'-P energy: -91.582 bonds (distance) P-C4' energy: -90.298 flat angles C4'-P-C4' energy: -110.664 flat angles P-C4'-P energy: -78.172 tors. eta vs tors. theta energy: -112.892 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: 2 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1369.271210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.271210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.271210 (E_RNA) where: Base-Base interactions energy: -894.522 where: short stacking energy: -403.948 Base-Backbone interact. energy: 2.457 local terms energy: -477.206197 where: bonds (distance) C4'-P energy: -85.449 bonds (distance) P-C4' energy: -94.692 flat angles C4'-P-C4' energy: -109.414 flat angles P-C4'-P energy: -76.490 tors. eta vs tors. theta energy: -111.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1318.187223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.187223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.187223 (E_RNA) where: Base-Base interactions energy: -876.439 where: short stacking energy: -414.305 Base-Backbone interact. energy: -3.828 local terms energy: -437.920757 where: bonds (distance) C4'-P energy: -77.101 bonds (distance) P-C4' energy: -96.258 flat angles C4'-P-C4' energy: -93.685 flat angles P-C4'-P energy: -59.365 tors. eta vs tors. theta energy: -111.511 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: 9 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1154.980336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.980336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.980336 (E_RNA) where: Base-Base interactions energy: -742.521 where: short stacking energy: -357.414 Base-Backbone interact. energy: -2.987 local terms energy: -409.472563 where: bonds (distance) C4'-P energy: -76.638 bonds (distance) P-C4' energy: -100.009 flat angles C4'-P-C4' energy: -90.198 flat angles P-C4'-P energy: -58.251 tors. eta vs tors. theta energy: -84.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1051.967872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.967872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.967872 (E_RNA) where: Base-Base interactions energy: -651.899 where: short stacking energy: -323.392 Base-Backbone interact. energy: -0.383 local terms energy: -399.685083 where: bonds (distance) C4'-P energy: -70.765 bonds (distance) P-C4' energy: -94.961 flat angles C4'-P-C4' energy: -98.710 flat angles P-C4'-P energy: -48.662 tors. eta vs tors. theta energy: -86.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -941.167129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.167129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.167129 (E_RNA) where: Base-Base interactions energy: -579.536 where: short stacking energy: -273.670 Base-Backbone interact. energy: 2.279 local terms energy: -363.909605 where: bonds (distance) C4'-P energy: -90.879 bonds (distance) P-C4' energy: -80.684 flat angles C4'-P-C4' energy: -93.727 flat angles P-C4'-P energy: -54.116 tors. eta vs tors. theta energy: -44.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -810.723648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.723648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.723648 (E_RNA) where: Base-Base interactions energy: -453.023 where: short stacking energy: -236.421 Base-Backbone interact. energy: -1.338 local terms energy: -356.362845 where: bonds (distance) C4'-P energy: -85.681 bonds (distance) P-C4' energy: -83.098 flat angles C4'-P-C4' energy: -81.225 flat angles P-C4'-P energy: -54.884 tors. eta vs tors. theta energy: -51.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -733.982936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.982936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.982936 (E_RNA) where: Base-Base interactions energy: -387.193 where: short stacking energy: -202.656 Base-Backbone interact. energy: -0.515 local terms energy: -346.275422 where: bonds (distance) C4'-P energy: -88.769 bonds (distance) P-C4' energy: -81.984 flat angles C4'-P-C4' energy: -86.145 flat angles P-C4'-P energy: -57.441 tors. eta vs tors. theta energy: -31.937 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: 1 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -516.793487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.793487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.793487 (E_RNA) where: Base-Base interactions energy: -240.840 where: short stacking energy: -135.491 Base-Backbone interact. energy: -1.594 local terms energy: -274.359575 where: bonds (distance) C4'-P energy: -54.615 bonds (distance) P-C4' energy: -99.398 flat angles C4'-P-C4' energy: -77.002 flat angles P-C4'-P energy: -48.024 tors. eta vs tors. theta energy: 4.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -374.179988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.179988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.179988 (E_RNA) where: Base-Base interactions energy: -141.562 where: short stacking energy: -101.944 Base-Backbone interact. energy: 3.636 local terms energy: -236.254086 where: bonds (distance) C4'-P energy: -83.008 bonds (distance) P-C4' energy: -89.648 flat angles C4'-P-C4' energy: -74.395 flat angles P-C4'-P energy: -13.767 tors. eta vs tors. theta energy: 24.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1468.052663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.052663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.052663 (E_RNA) where: Base-Base interactions energy: -1005.060 where: short stacking energy: -437.174 Base-Backbone interact. energy: -4.176 local terms energy: -458.816336 where: bonds (distance) C4'-P energy: -77.216 bonds (distance) P-C4' energy: -93.277 flat angles C4'-P-C4' energy: -100.590 flat angles P-C4'-P energy: -74.837 tors. eta vs tors. theta energy: -112.897 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: 2 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1407.445137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.445137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.445137 (E_RNA) where: Base-Base interactions energy: -945.686 where: short stacking energy: -424.928 Base-Backbone interact. energy: -2.668 local terms energy: -459.091221 where: bonds (distance) C4'-P energy: -91.018 bonds (distance) P-C4' energy: -88.740 flat angles C4'-P-C4' energy: -101.361 flat angles P-C4'-P energy: -58.138 tors. eta vs tors. theta energy: -119.834 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: 5 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1318.422789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.422789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.422789 (E_RNA) where: Base-Base interactions energy: -858.941 where: short stacking energy: -396.339 Base-Backbone interact. energy: -3.530 local terms energy: -455.952169 where: bonds (distance) C4'-P energy: -96.593 bonds (distance) P-C4' energy: -89.645 flat angles C4'-P-C4' energy: -94.860 flat angles P-C4'-P energy: -57.201 tors. eta vs tors. theta energy: -117.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1174.592691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.592691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.592691 (E_RNA) where: Base-Base interactions energy: -762.437 where: short stacking energy: -347.120 Base-Backbone interact. energy: -1.784 local terms energy: -410.372315 where: bonds (distance) C4'-P energy: -77.165 bonds (distance) P-C4' energy: -98.192 flat angles C4'-P-C4' energy: -84.336 flat angles P-C4'-P energy: -62.713 tors. eta vs tors. theta energy: -87.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1024.428774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.428774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.428774 (E_RNA) where: Base-Base interactions energy: -615.321 where: short stacking energy: -318.714 Base-Backbone interact. energy: -1.464 local terms energy: -407.643899 where: bonds (distance) C4'-P energy: -90.761 bonds (distance) P-C4' energy: -85.294 flat angles C4'-P-C4' energy: -87.076 flat angles P-C4'-P energy: -58.665 tors. eta vs tors. theta energy: -85.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -976.503036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.503036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.503036 (E_RNA) where: Base-Base interactions energy: -613.730 where: short stacking energy: -293.189 Base-Backbone interact. energy: -0.181 local terms energy: -362.592165 where: bonds (distance) C4'-P energy: -72.324 bonds (distance) P-C4' energy: -91.788 flat angles C4'-P-C4' energy: -85.256 flat angles P-C4'-P energy: -48.364 tors. eta vs tors. theta energy: -64.861 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: 4 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -863.296567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.296567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.296567 (E_RNA) where: Base-Base interactions energy: -510.678 where: short stacking energy: -250.204 Base-Backbone interact. energy: 4.811 local terms energy: -357.429688 where: bonds (distance) C4'-P energy: -71.764 bonds (distance) P-C4' energy: -95.420 flat angles C4'-P-C4' energy: -83.189 flat angles P-C4'-P energy: -51.653 tors. eta vs tors. theta energy: -55.405 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: 6 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -704.870153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.870153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.870153 (E_RNA) where: Base-Base interactions energy: -395.022 where: short stacking energy: -187.162 Base-Backbone interact. energy: -0.678 local terms energy: -309.169915 where: bonds (distance) C4'-P energy: -75.671 bonds (distance) P-C4' energy: -92.633 flat angles C4'-P-C4' energy: -82.477 flat angles P-C4'-P energy: -38.144 tors. eta vs tors. theta energy: -20.245 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: 9, replica: 1 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -490.089603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.089603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.089603 (E_RNA) where: Base-Base interactions energy: -226.777 where: short stacking energy: -136.324 Base-Backbone interact. energy: 2.262 local terms energy: -265.574423 where: bonds (distance) C4'-P energy: -74.456 bonds (distance) P-C4' energy: -89.292 flat angles C4'-P-C4' energy: -65.527 flat angles P-C4'-P energy: -44.547 tors. eta vs tors. theta energy: 8.248 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: 7 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -367.161949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.161949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.161949 (E_RNA) where: Base-Base interactions energy: -131.178 where: short stacking energy: -112.483 Base-Backbone interact. energy: -0.025 local terms energy: -235.959535 where: bonds (distance) C4'-P energy: -79.546 bonds (distance) P-C4' energy: -74.573 flat angles C4'-P-C4' energy: -55.075 flat angles P-C4'-P energy: -31.194 tors. eta vs tors. theta energy: 4.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1440.575968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.575968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.575968 (E_RNA) where: Base-Base interactions energy: -974.060 where: short stacking energy: -417.213 Base-Backbone interact. energy: -0.276 local terms energy: -466.240265 where: bonds (distance) C4'-P energy: -95.851 bonds (distance) P-C4' energy: -86.146 flat angles C4'-P-C4' energy: -105.240 flat angles P-C4'-P energy: -67.235 tors. eta vs tors. theta energy: -111.768 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: 2 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1347.352569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.352569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.352569 (E_RNA) where: Base-Base interactions energy: -901.024 where: short stacking energy: -404.593 Base-Backbone interact. energy: -3.926 local terms energy: -442.402621 where: bonds (distance) C4'-P energy: -92.835 bonds (distance) P-C4' energy: -86.997 flat angles C4'-P-C4' energy: -97.832 flat angles P-C4'-P energy: -59.641 tors. eta vs tors. theta energy: -105.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1293.573904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.573904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.573904 (E_RNA) where: Base-Base interactions energy: -846.037 where: short stacking energy: -373.301 Base-Backbone interact. energy: -1.619 local terms energy: -445.918341 where: bonds (distance) C4'-P energy: -88.602 bonds (distance) P-C4' energy: -99.691 flat angles C4'-P-C4' energy: -97.963 flat angles P-C4'-P energy: -55.912 tors. eta vs tors. theta energy: -103.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1141.966689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.966689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.966689 (E_RNA) where: Base-Base interactions energy: -714.316 where: short stacking energy: -366.942 Base-Backbone interact. energy: -2.976 local terms energy: -424.675164 where: bonds (distance) C4'-P energy: -94.373 bonds (distance) P-C4' energy: -90.935 flat angles C4'-P-C4' energy: -92.841 flat angles P-C4'-P energy: -58.493 tors. eta vs tors. theta energy: -88.034 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: 3 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -1105.259349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.259349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.259349 (E_RNA) where: Base-Base interactions energy: -691.788 where: short stacking energy: -315.375 Base-Backbone interact. energy: -0.872 local terms energy: -412.599062 where: bonds (distance) C4'-P energy: -78.938 bonds (distance) P-C4' energy: -84.655 flat angles C4'-P-C4' energy: -102.172 flat angles P-C4'-P energy: -61.881 tors. eta vs tors. theta energy: -84.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -896.329059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.329059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.329059 (E_RNA) where: Base-Base interactions energy: -530.153 where: short stacking energy: -259.216 Base-Backbone interact. energy: 0.494 local terms energy: -366.669685 where: bonds (distance) C4'-P energy: -91.339 bonds (distance) P-C4' energy: -74.164 flat angles C4'-P-C4' energy: -83.608 flat angles P-C4'-P energy: -55.143 tors. eta vs tors. theta energy: -62.416 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: 4 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -865.739332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.739332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.739332 (E_RNA) where: Base-Base interactions energy: -516.925 where: short stacking energy: -273.993 Base-Backbone interact. energy: -0.403 local terms energy: -348.411167 where: bonds (distance) C4'-P energy: -80.911 bonds (distance) P-C4' energy: -88.795 flat angles C4'-P-C4' energy: -68.901 flat angles P-C4'-P energy: -56.478 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: 8, replica: 6 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -618.021006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.021006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.021006 (E_RNA) where: Base-Base interactions energy: -318.339 where: short stacking energy: -176.659 Base-Backbone interact. energy: 0.618 local terms energy: -300.299753 where: bonds (distance) C4'-P energy: -79.896 bonds (distance) P-C4' energy: -88.971 flat angles C4'-P-C4' energy: -67.788 flat angles P-C4'-P energy: -58.385 tors. eta vs tors. theta energy: -5.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -526.338451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.338451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.338451 (E_RNA) where: Base-Base interactions energy: -251.769 where: short stacking energy: -141.244 Base-Backbone interact. energy: 0.782 local terms energy: -275.351343 where: bonds (distance) C4'-P energy: -75.757 bonds (distance) P-C4' energy: -73.813 flat angles C4'-P-C4' energy: -79.916 flat angles P-C4'-P energy: -48.002 tors. eta vs tors. theta energy: 2.137 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: 100 Temperature: 1.350000 Total energy: -455.593321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.593321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.593321 (E_RNA) where: Base-Base interactions energy: -186.138 where: short stacking energy: -115.626 Base-Backbone interact. energy: -0.312 local terms energy: -269.143012 where: bonds (distance) C4'-P energy: -83.741 bonds (distance) P-C4' energy: -70.958 flat angles C4'-P-C4' energy: -65.338 flat angles P-C4'-P energy: -50.553 tors. eta vs tors. theta energy: 1.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1450.311567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.311567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.311567 (E_RNA) where: Base-Base interactions energy: -961.344 where: short stacking energy: -425.088 Base-Backbone interact. energy: -4.481 local terms energy: -484.487118 where: bonds (distance) C4'-P energy: -93.407 bonds (distance) P-C4' energy: -104.691 flat angles C4'-P-C4' energy: -98.309 flat angles P-C4'-P energy: -66.237 tors. eta vs tors. theta energy: -121.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1336.469118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.469118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.469118 (E_RNA) where: Base-Base interactions energy: -873.771 where: short stacking energy: -401.607 Base-Backbone interact. energy: -0.953 local terms energy: -461.744737 where: bonds (distance) C4'-P energy: -79.762 bonds (distance) P-C4' energy: -103.223 flat angles C4'-P-C4' energy: -107.251 flat angles P-C4'-P energy: -61.107 tors. eta vs tors. theta energy: -110.402 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: 5 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1307.653631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.653631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.653631 (E_RNA) where: Base-Base interactions energy: -867.408 where: short stacking energy: -384.448 Base-Backbone interact. energy: -0.810 local terms energy: -439.436166 where: bonds (distance) C4'-P energy: -90.468 bonds (distance) P-C4' energy: -86.900 flat angles C4'-P-C4' energy: -97.144 flat angles P-C4'-P energy: -61.545 tors. eta vs tors. theta energy: -103.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1173.519437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.519437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.519437 (E_RNA) where: Base-Base interactions energy: -748.685 where: short stacking energy: -364.515 Base-Backbone interact. energy: -1.156 local terms energy: -423.678724 where: bonds (distance) C4'-P energy: -71.414 bonds (distance) P-C4' energy: -77.614 flat angles C4'-P-C4' energy: -104.260 flat angles P-C4'-P energy: -67.852 tors. eta vs tors. theta energy: -102.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1045.953830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.953830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.953830 (E_RNA) where: Base-Base interactions energy: -656.868 where: short stacking energy: -314.623 Base-Backbone interact. energy: -1.206 local terms energy: -387.880105 where: bonds (distance) C4'-P energy: -82.099 bonds (distance) P-C4' energy: -87.747 flat angles C4'-P-C4' energy: -90.356 flat angles P-C4'-P energy: -47.436 tors. eta vs tors. theta energy: -80.243 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: 8 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -911.734229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.734229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.734229 (E_RNA) where: Base-Base interactions energy: -570.934 where: short stacking energy: -296.440 Base-Backbone interact. energy: 1.862 local terms energy: -342.662683 where: bonds (distance) C4'-P energy: -56.469 bonds (distance) P-C4' energy: -92.481 flat angles C4'-P-C4' energy: -95.126 flat angles P-C4'-P energy: -42.751 tors. eta vs tors. theta energy: -55.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -830.056150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.056150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.056150 (E_RNA) where: Base-Base interactions energy: -465.771 where: short stacking energy: -243.796 Base-Backbone interact. energy: -1.801 local terms energy: -362.484336 where: bonds (distance) C4'-P energy: -82.578 bonds (distance) P-C4' energy: -97.227 flat angles C4'-P-C4' energy: -73.535 flat angles P-C4'-P energy: -61.865 tors. eta vs tors. theta energy: -47.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -662.996683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.996683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.996683 (E_RNA) where: Base-Base interactions energy: -346.516 where: short stacking energy: -193.946 Base-Backbone interact. energy: -1.860 local terms energy: -314.621145 where: bonds (distance) C4'-P energy: -79.288 bonds (distance) P-C4' energy: -85.360 flat angles C4'-P-C4' energy: -80.277 flat angles P-C4'-P energy: -45.034 tors. eta vs tors. theta energy: -24.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -518.747706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.747706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.747706 (E_RNA) where: Base-Base interactions energy: -243.286 where: short stacking energy: -149.413 Base-Backbone interact. energy: -3.327 local terms energy: -272.135275 where: bonds (distance) C4'-P energy: -84.421 bonds (distance) P-C4' energy: -82.413 flat angles C4'-P-C4' energy: -67.957 flat angles P-C4'-P energy: -33.778 tors. eta vs tors. theta energy: -3.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -495.111520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.111520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.111520 (E_RNA) where: Base-Base interactions energy: -229.218 where: short stacking energy: -137.270 Base-Backbone interact. energy: -0.883 local terms energy: -265.010183 where: bonds (distance) C4'-P energy: -85.475 bonds (distance) P-C4' energy: -83.829 flat angles C4'-P-C4' energy: -63.484 flat angles P-C4'-P energy: -36.848 tors. eta vs tors. theta energy: 4.626 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: 10 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1493.662311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.662311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.662311 (E_RNA) where: Base-Base interactions energy: -998.513 where: short stacking energy: -436.235 Base-Backbone interact. energy: -0.646 local terms energy: -494.503935 where: bonds (distance) C4'-P energy: -93.511 bonds (distance) P-C4' energy: -106.479 flat angles C4'-P-C4' energy: -106.288 flat angles P-C4'-P energy: -71.139 tors. eta vs tors. theta energy: -117.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -1339.271869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.271869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.271869 (E_RNA) where: Base-Base interactions energy: -860.727 where: short stacking energy: -391.630 Base-Backbone interact. energy: -1.419 local terms energy: -477.125456 where: bonds (distance) C4'-P energy: -104.330 bonds (distance) P-C4' energy: -91.162 flat angles C4'-P-C4' energy: -87.515 flat angles P-C4'-P energy: -75.332 tors. eta vs tors. theta energy: -118.787 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: 5 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1325.560148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.560148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.560148 (E_RNA) where: Base-Base interactions energy: -880.361 where: short stacking energy: -389.249 Base-Backbone interact. energy: -0.589 local terms energy: -444.610576 where: bonds (distance) C4'-P energy: -85.103 bonds (distance) P-C4' energy: -82.567 flat angles C4'-P-C4' energy: -103.982 flat angles P-C4'-P energy: -71.064 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: 4, replica: 3 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1139.223014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.223014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.223014 (E_RNA) where: Base-Base interactions energy: -729.205 where: short stacking energy: -339.912 Base-Backbone interact. energy: -0.060 local terms energy: -409.957732 where: bonds (distance) C4'-P energy: -93.342 bonds (distance) P-C4' energy: -86.417 flat angles C4'-P-C4' energy: -94.874 flat angles P-C4'-P energy: -61.917 tors. eta vs tors. theta energy: -73.408 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: 9 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1030.980303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.980303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.980303 (E_RNA) where: Base-Base interactions energy: -644.558 where: short stacking energy: -291.222 Base-Backbone interact. energy: -0.929 local terms energy: -385.493348 where: bonds (distance) C4'-P energy: -77.191 bonds (distance) P-C4' energy: -92.922 flat angles C4'-P-C4' energy: -88.695 flat angles P-C4'-P energy: -54.415 tors. eta vs tors. theta energy: -72.269 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: 6, replica: 8 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -909.747320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.747320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.747320 (E_RNA) where: Base-Base interactions energy: -554.197 where: short stacking energy: -271.513 Base-Backbone interact. energy: -3.026 local terms energy: -352.523760 where: bonds (distance) C4'-P energy: -84.920 bonds (distance) P-C4' energy: -86.060 flat angles C4'-P-C4' energy: -79.539 flat angles P-C4'-P energy: -55.272 tors. eta vs tors. theta energy: -46.732 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: 4 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -803.794303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.794303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.794303 (E_RNA) where: Base-Base interactions energy: -470.026 where: short stacking energy: -234.961 Base-Backbone interact. energy: -1.163 local terms energy: -332.604882 where: bonds (distance) C4'-P energy: -86.455 bonds (distance) P-C4' energy: -87.220 flat angles C4'-P-C4' energy: -80.405 flat angles P-C4'-P energy: -45.068 tors. eta vs tors. theta energy: -33.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -684.507020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.507020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.507020 (E_RNA) where: Base-Base interactions energy: -378.757 where: short stacking energy: -234.079 Base-Backbone interact. energy: 2.629 local terms energy: -308.379042 where: bonds (distance) C4'-P energy: -59.435 bonds (distance) P-C4' energy: -84.590 flat angles C4'-P-C4' energy: -73.643 flat angles P-C4'-P energy: -52.086 tors. eta vs tors. theta energy: -38.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -489.068549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.068549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.068549 (E_RNA) where: Base-Base interactions energy: -234.374 where: short stacking energy: -143.968 Base-Backbone interact. energy: -0.462 local terms energy: -254.231849 where: bonds (distance) C4'-P energy: -68.230 bonds (distance) P-C4' energy: -71.794 flat angles C4'-P-C4' energy: -82.014 flat angles P-C4'-P energy: -35.066 tors. eta vs tors. theta energy: 2.872 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: 1 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -561.308824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.308824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.308824 (E_RNA) where: Base-Base interactions energy: -270.075 where: short stacking energy: -162.725 Base-Backbone interact. energy: -2.012 local terms energy: -289.221970 where: bonds (distance) C4'-P energy: -84.383 bonds (distance) P-C4' energy: -96.196 flat angles C4'-P-C4' energy: -79.144 flat angles P-C4'-P energy: -25.884 tors. eta vs tors. theta energy: -3.616 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: 10 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1489.469388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.469388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.469388 (E_RNA) where: Base-Base interactions energy: -1011.563 where: short stacking energy: -427.403 Base-Backbone interact. energy: -2.372 local terms energy: -475.534321 where: bonds (distance) C4'-P energy: -94.086 bonds (distance) P-C4' energy: -103.071 flat angles C4'-P-C4' energy: -100.188 flat angles P-C4'-P energy: -63.053 tors. eta vs tors. theta energy: -115.135 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: 2, replica: 2 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1315.114134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.114134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.114134 (E_RNA) where: Base-Base interactions energy: -845.474 where: short stacking energy: -408.275 Base-Backbone interact. energy: -3.160 local terms energy: -466.480044 where: bonds (distance) C4'-P energy: -95.596 bonds (distance) P-C4' energy: -96.870 flat angles C4'-P-C4' energy: -106.645 flat angles P-C4'-P energy: -57.653 tors. eta vs tors. theta energy: -109.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1308.279329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.279329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.279329 (E_RNA) where: Base-Base interactions energy: -858.148 where: short stacking energy: -399.136 Base-Backbone interact. energy: -1.971 local terms energy: -448.160088 where: bonds (distance) C4'-P energy: -86.298 bonds (distance) P-C4' energy: -94.272 flat angles C4'-P-C4' energy: -93.913 flat angles P-C4'-P energy: -57.389 tors. eta vs tors. theta energy: -116.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1129.096033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.096033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.096033 (E_RNA) where: Base-Base interactions energy: -716.571 where: short stacking energy: -307.956 Base-Backbone interact. energy: 0.021 local terms energy: -412.546533 where: bonds (distance) C4'-P energy: -90.949 bonds (distance) P-C4' energy: -84.614 flat angles C4'-P-C4' energy: -101.763 flat angles P-C4'-P energy: -66.943 tors. eta vs tors. theta energy: -68.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1066.028295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.028295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.028295 (E_RNA) where: Base-Base interactions energy: -673.768 where: short stacking energy: -310.236 Base-Backbone interact. energy: -0.033 local terms energy: -392.226905 where: bonds (distance) C4'-P energy: -84.923 bonds (distance) P-C4' energy: -88.425 flat angles C4'-P-C4' energy: -89.210 flat angles P-C4'-P energy: -56.413 tors. eta vs tors. theta energy: -73.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -893.459868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.459868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.459868 (E_RNA) where: Base-Base interactions energy: -543.128 where: short stacking energy: -256.974 Base-Backbone interact. energy: -0.189 local terms energy: -350.143058 where: bonds (distance) C4'-P energy: -87.442 bonds (distance) P-C4' energy: -87.834 flat angles C4'-P-C4' energy: -83.112 flat angles P-C4'-P energy: -48.606 tors. eta vs tors. theta energy: -43.149 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: 4 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -851.844849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.844849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.844849 (E_RNA) where: Base-Base interactions energy: -493.542 where: short stacking energy: -240.814 Base-Backbone interact. energy: 0.034 local terms energy: -358.336985 where: bonds (distance) C4'-P energy: -83.943 bonds (distance) P-C4' energy: -77.436 flat angles C4'-P-C4' energy: -86.592 flat angles P-C4'-P energy: -58.935 tors. eta vs tors. theta energy: -51.432 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: 8, replica: 6 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -685.529159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.529159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.529159 (E_RNA) where: Base-Base interactions energy: -352.864 where: short stacking energy: -195.848 Base-Backbone interact. energy: -0.022 local terms energy: -332.643332 where: bonds (distance) C4'-P energy: -79.429 bonds (distance) P-C4' energy: -77.030 flat angles C4'-P-C4' energy: -90.973 flat angles P-C4'-P energy: -47.883 tors. eta vs tors. theta energy: -37.328 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: 103 Temperature: 1.300000 Total energy: -507.008876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.008876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.008876 (E_RNA) where: Base-Base interactions energy: -232.289 where: short stacking energy: -139.878 Base-Backbone interact. energy: -1.990 local terms energy: -272.730620 where: bonds (distance) C4'-P energy: -88.791 bonds (distance) P-C4' energy: -84.084 flat angles C4'-P-C4' energy: -69.511 flat angles P-C4'-P energy: -23.931 tors. eta vs tors. theta energy: -6.413 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: 1 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -522.218987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.218987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.218987 (E_RNA) where: Base-Base interactions energy: -232.422 where: short stacking energy: -129.525 Base-Backbone interact. energy: 0.315 local terms energy: -290.111889 where: bonds (distance) C4'-P energy: -74.556 bonds (distance) P-C4' energy: -75.880 flat angles C4'-P-C4' energy: -81.417 flat angles P-C4'-P energy: -46.004 tors. eta vs tors. theta energy: -12.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1513.063381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.063381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.063381 (E_RNA) where: Base-Base interactions energy: -1017.342 where: short stacking energy: -422.994 Base-Backbone interact. energy: -1.406 local terms energy: -494.315953 where: bonds (distance) C4'-P energy: -97.311 bonds (distance) P-C4' energy: -102.634 flat angles C4'-P-C4' energy: -110.553 flat angles P-C4'-P energy: -63.708 tors. eta vs tors. theta energy: -120.111 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: 2, replica: 2 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1312.610926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.610926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.610926 (E_RNA) where: Base-Base interactions energy: -836.595 where: short stacking energy: -415.530 Base-Backbone interact. energy: 1.438 local terms energy: -477.454013 where: bonds (distance) C4'-P energy: -104.875 bonds (distance) P-C4' energy: -85.670 flat angles C4'-P-C4' energy: -107.310 flat angles P-C4'-P energy: -64.914 tors. eta vs tors. theta energy: -114.685 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: 5 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1346.322676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.322676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.322676 (E_RNA) where: Base-Base interactions energy: -894.024 where: short stacking energy: -428.433 Base-Backbone interact. energy: -1.223 local terms energy: -451.075628 where: bonds (distance) C4'-P energy: -90.365 bonds (distance) P-C4' energy: -96.527 flat angles C4'-P-C4' energy: -93.861 flat angles P-C4'-P energy: -60.263 tors. eta vs tors. theta energy: -110.060 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: 4, replica: 3 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1149.102608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.102608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.102608 (E_RNA) where: Base-Base interactions energy: -726.049 where: short stacking energy: -333.748 Base-Backbone interact. energy: -4.665 local terms energy: -418.388192 where: bonds (distance) C4'-P energy: -100.659 bonds (distance) P-C4' energy: -89.487 flat angles C4'-P-C4' energy: -100.185 flat angles P-C4'-P energy: -49.098 tors. eta vs tors. theta energy: -78.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1006.289095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.289095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.289095 (E_RNA) where: Base-Base interactions energy: -609.394 where: short stacking energy: -303.508 Base-Backbone interact. energy: -1.052 local terms energy: -395.843039 where: bonds (distance) C4'-P energy: -80.450 bonds (distance) P-C4' energy: -91.035 flat angles C4'-P-C4' energy: -89.728 flat angles P-C4'-P energy: -63.120 tors. eta vs tors. theta energy: -71.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -930.740801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.740801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.740801 (E_RNA) where: Base-Base interactions energy: -558.250 where: short stacking energy: -297.941 Base-Backbone interact. energy: 1.384 local terms energy: -373.875482 where: bonds (distance) C4'-P energy: -83.699 bonds (distance) P-C4' energy: -72.937 flat angles C4'-P-C4' energy: -92.810 flat angles P-C4'-P energy: -75.238 tors. eta vs tors. theta energy: -49.191 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: 7, replica: 4 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -913.539342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.539342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.539342 (E_RNA) where: Base-Base interactions energy: -535.869 where: short stacking energy: -271.546 Base-Backbone interact. energy: 0.826 local terms energy: -378.496388 where: bonds (distance) C4'-P energy: -88.806 bonds (distance) P-C4' energy: -92.063 flat angles C4'-P-C4' energy: -94.292 flat angles P-C4'-P energy: -43.713 tors. eta vs tors. theta energy: -59.624 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: 6 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -698.121295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.121295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.121295 (E_RNA) where: Base-Base interactions energy: -383.430 where: short stacking energy: -231.342 Base-Backbone interact. energy: 1.852 local terms energy: -316.543582 where: bonds (distance) C4'-P energy: -71.717 bonds (distance) P-C4' energy: -85.437 flat angles C4'-P-C4' energy: -71.021 flat angles P-C4'-P energy: -55.676 tors. eta vs tors. theta energy: -32.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -543.498466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.498466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.498466 (E_RNA) where: Base-Base interactions energy: -270.001 where: short stacking energy: -143.539 Base-Backbone interact. energy: -0.133 local terms energy: -273.364419 where: bonds (distance) C4'-P energy: -78.365 bonds (distance) P-C4' energy: -83.589 flat angles C4'-P-C4' energy: -65.664 flat angles P-C4'-P energy: -56.154 tors. eta vs tors. theta energy: 10.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -526.276543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.276543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.276543 (E_RNA) where: Base-Base interactions energy: -272.227 where: short stacking energy: -169.965 Base-Backbone interact. energy: 6.242 local terms energy: -260.292264 where: bonds (distance) C4'-P energy: -72.017 bonds (distance) P-C4' energy: -73.095 flat angles C4'-P-C4' energy: -62.859 flat angles P-C4'-P energy: -39.175 tors. eta vs tors. theta energy: -13.146 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: 10 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1480.165775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.165775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.165775 (E_RNA) where: Base-Base interactions energy: -1021.965 where: short stacking energy: -420.890 Base-Backbone interact. energy: -3.283 local terms energy: -454.917744 where: bonds (distance) C4'-P energy: -86.355 bonds (distance) P-C4' energy: -95.127 flat angles C4'-P-C4' energy: -104.111 flat angles P-C4'-P energy: -65.435 tors. eta vs tors. theta energy: -103.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1337.676192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.676192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.676192 (E_RNA) where: Base-Base interactions energy: -868.986 where: short stacking energy: -395.914 Base-Backbone interact. energy: -0.839 local terms energy: -467.850697 where: bonds (distance) C4'-P energy: -102.678 bonds (distance) P-C4' energy: -87.247 flat angles C4'-P-C4' energy: -98.059 flat angles P-C4'-P energy: -69.976 tors. eta vs tors. theta energy: -109.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1250.055821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.055821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.055821 (E_RNA) where: Base-Base interactions energy: -791.454 where: short stacking energy: -367.239 Base-Backbone interact. energy: -0.499 local terms energy: -458.103130 where: bonds (distance) C4'-P energy: -87.177 bonds (distance) P-C4' energy: -102.122 flat angles C4'-P-C4' energy: -101.542 flat angles P-C4'-P energy: -64.296 tors. eta vs tors. theta energy: -102.966 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: 3 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1133.725420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.725420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.725420 (E_RNA) where: Base-Base interactions energy: -704.489 where: short stacking energy: -345.981 Base-Backbone interact. energy: -0.062 local terms energy: -429.174672 where: bonds (distance) C4'-P energy: -74.738 bonds (distance) P-C4' energy: -98.902 flat angles C4'-P-C4' energy: -94.666 flat angles P-C4'-P energy: -67.070 tors. eta vs tors. theta energy: -93.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -1025.858285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.858285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.858285 (E_RNA) where: Base-Base interactions energy: -631.299 where: short stacking energy: -287.630 Base-Backbone interact. energy: 2.313 local terms energy: -396.873074 where: bonds (distance) C4'-P energy: -88.608 bonds (distance) P-C4' energy: -92.381 flat angles C4'-P-C4' energy: -93.030 flat angles P-C4'-P energy: -58.909 tors. eta vs tors. theta energy: -63.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -901.283194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.283194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.283194 (E_RNA) where: Base-Base interactions energy: -530.784 where: short stacking energy: -252.905 Base-Backbone interact. energy: 0.382 local terms energy: -370.881125 where: bonds (distance) C4'-P energy: -84.577 bonds (distance) P-C4' energy: -86.803 flat angles C4'-P-C4' energy: -80.105 flat angles P-C4'-P energy: -64.006 tors. eta vs tors. theta energy: -55.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -862.966590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.966590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.966590 (E_RNA) where: Base-Base interactions energy: -507.205 where: short stacking energy: -243.725 Base-Backbone interact. energy: -0.553 local terms energy: -355.209176 where: bonds (distance) C4'-P energy: -76.978 bonds (distance) P-C4' energy: -84.567 flat angles C4'-P-C4' energy: -94.749 flat angles P-C4'-P energy: -49.818 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: 8, replica: 6 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -673.503862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.503862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.503862 (E_RNA) where: Base-Base interactions energy: -366.806 where: short stacking energy: -193.791 Base-Backbone interact. energy: 2.329 local terms energy: -309.027148 where: bonds (distance) C4'-P energy: -83.836 bonds (distance) P-C4' energy: -81.945 flat angles C4'-P-C4' energy: -89.397 flat angles P-C4'-P energy: -46.651 tors. eta vs tors. theta energy: -7.198 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: 7 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -531.665742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.665742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.665742 (E_RNA) where: Base-Base interactions energy: -254.663 where: short stacking energy: -159.499 Base-Backbone interact. energy: 0.078 local terms energy: -277.081156 where: bonds (distance) C4'-P energy: -91.866 bonds (distance) P-C4' energy: -78.479 flat angles C4'-P-C4' energy: -77.232 flat angles P-C4'-P energy: -35.795 tors. eta vs tors. theta energy: 6.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -585.363700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.363700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.363700 (E_RNA) where: Base-Base interactions energy: -319.345 where: short stacking energy: -177.110 Base-Backbone interact. energy: -1.715 local terms energy: -264.303567 where: bonds (distance) C4'-P energy: -73.818 bonds (distance) P-C4' energy: -70.677 flat angles C4'-P-C4' energy: -69.598 flat angles P-C4'-P energy: -37.781 tors. eta vs tors. theta energy: -12.430 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: 10 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1479.583771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.583771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.583771 (E_RNA) where: Base-Base interactions energy: -978.994 where: short stacking energy: -436.432 Base-Backbone interact. energy: -6.068 local terms energy: -494.522542 where: bonds (distance) C4'-P energy: -94.901 bonds (distance) P-C4' energy: -90.992 flat angles C4'-P-C4' energy: -114.479 flat angles P-C4'-P energy: -75.291 tors. eta vs tors. theta energy: -118.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1331.826771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.826771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.826771 (E_RNA) where: Base-Base interactions energy: -872.509 where: short stacking energy: -396.270 Base-Backbone interact. energy: -3.764 local terms energy: -455.554690 where: bonds (distance) C4'-P energy: -89.945 bonds (distance) P-C4' energy: -85.465 flat angles C4'-P-C4' energy: -105.109 flat angles P-C4'-P energy: -62.932 tors. eta vs tors. theta energy: -112.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1257.923473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.923473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.923473 (E_RNA) where: Base-Base interactions energy: -823.534 where: short stacking energy: -393.229 Base-Backbone interact. energy: -0.829 local terms energy: -433.559882 where: bonds (distance) C4'-P energy: -87.279 bonds (distance) P-C4' energy: -89.024 flat angles C4'-P-C4' energy: -92.180 flat angles P-C4'-P energy: -50.345 tors. eta vs tors. theta energy: -114.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1118.865221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.865221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.865221 (E_RNA) where: Base-Base interactions energy: -709.247 where: short stacking energy: -339.347 Base-Backbone interact. energy: -0.294 local terms energy: -409.324098 where: bonds (distance) C4'-P energy: -81.023 bonds (distance) P-C4' energy: -80.601 flat angles C4'-P-C4' energy: -98.715 flat angles P-C4'-P energy: -61.964 tors. eta vs tors. theta energy: -87.021 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: 5, replica: 9 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1032.276202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.276202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.276202 (E_RNA) where: Base-Base interactions energy: -625.281 where: short stacking energy: -302.916 Base-Backbone interact. energy: -0.830 local terms energy: -406.165093 where: bonds (distance) C4'-P energy: -95.308 bonds (distance) P-C4' energy: -104.491 flat angles C4'-P-C4' energy: -89.996 flat angles P-C4'-P energy: -53.622 tors. eta vs tors. theta energy: -62.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -939.065108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.065108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.065108 (E_RNA) where: Base-Base interactions energy: -567.970 where: short stacking energy: -283.472 Base-Backbone interact. energy: -3.630 local terms energy: -367.465665 where: bonds (distance) C4'-P energy: -96.751 bonds (distance) P-C4' energy: -92.156 flat angles C4'-P-C4' energy: -69.408 flat angles P-C4'-P energy: -64.488 tors. eta vs tors. theta energy: -44.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -840.225183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.225183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.225183 (E_RNA) where: Base-Base interactions energy: -500.087 where: short stacking energy: -239.966 Base-Backbone interact. energy: -3.543 local terms energy: -336.594950 where: bonds (distance) C4'-P energy: -83.970 bonds (distance) P-C4' energy: -88.421 flat angles C4'-P-C4' energy: -74.352 flat angles P-C4'-P energy: -45.681 tors. eta vs tors. theta energy: -44.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -724.219807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.219807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.219807 (E_RNA) where: Base-Base interactions energy: -410.134 where: short stacking energy: -218.831 Base-Backbone interact. energy: -3.025 local terms energy: -311.060896 where: bonds (distance) C4'-P energy: -74.020 bonds (distance) P-C4' energy: -79.884 flat angles C4'-P-C4' energy: -66.289 flat angles P-C4'-P energy: -50.496 tors. eta vs tors. theta energy: -40.372 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: 1 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -581.191161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.191161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.191161 (E_RNA) where: Base-Base interactions energy: -299.751 where: short stacking energy: -163.209 Base-Backbone interact. energy: 0.314 local terms energy: -281.754055 where: bonds (distance) C4'-P energy: -77.198 bonds (distance) P-C4' energy: -78.000 flat angles C4'-P-C4' energy: -74.676 flat angles P-C4'-P energy: -48.176 tors. eta vs tors. theta energy: -3.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -519.671721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.671721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.671721 (E_RNA) where: Base-Base interactions energy: -255.163 where: short stacking energy: -136.018 Base-Backbone interact. energy: 0.278 local terms energy: -264.786920 where: bonds (distance) C4'-P energy: -82.165 bonds (distance) P-C4' energy: -59.738 flat angles C4'-P-C4' energy: -76.756 flat angles P-C4'-P energy: -39.901 tors. eta vs tors. theta energy: -6.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1495.807308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.807308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.807308 (E_RNA) where: Base-Base interactions energy: -1020.527 where: short stacking energy: -416.741 Base-Backbone interact. energy: -2.732 local terms energy: -472.548820 where: bonds (distance) C4'-P energy: -103.038 bonds (distance) P-C4' energy: -91.711 flat angles C4'-P-C4' energy: -107.754 flat angles P-C4'-P energy: -60.062 tors. eta vs tors. theta energy: -109.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1297.670844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.670844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.670844 (E_RNA) where: Base-Base interactions energy: -831.289 where: short stacking energy: -396.603 Base-Backbone interact. energy: -0.348 local terms energy: -466.033011 where: bonds (distance) C4'-P energy: -91.156 bonds (distance) P-C4' energy: -97.400 flat angles C4'-P-C4' energy: -91.183 flat angles P-C4'-P energy: -70.676 tors. eta vs tors. theta energy: -115.617 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: 5 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1329.297872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.297872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.297872 (E_RNA) where: Base-Base interactions energy: -870.792 where: short stacking energy: -397.850 Base-Backbone interact. energy: -3.754 local terms energy: -454.752256 where: bonds (distance) C4'-P energy: -91.435 bonds (distance) P-C4' energy: -93.830 flat angles C4'-P-C4' energy: -88.318 flat angles P-C4'-P energy: -73.831 tors. eta vs tors. theta energy: -107.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1109.235031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.235031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.235031 (E_RNA) where: Base-Base interactions energy: -705.027 where: short stacking energy: -338.687 Base-Backbone interact. energy: 0.649 local terms energy: -404.857787 where: bonds (distance) C4'-P energy: -84.622 bonds (distance) P-C4' energy: -84.232 flat angles C4'-P-C4' energy: -97.747 flat angles P-C4'-P energy: -60.523 tors. eta vs tors. theta energy: -77.734 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: 9 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1011.448293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.448293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.448293 (E_RNA) where: Base-Base interactions energy: -610.022 where: short stacking energy: -293.707 Base-Backbone interact. energy: -1.711 local terms energy: -399.714812 where: bonds (distance) C4'-P energy: -94.841 bonds (distance) P-C4' energy: -89.965 flat angles C4'-P-C4' energy: -85.243 flat angles P-C4'-P energy: -58.236 tors. eta vs tors. theta energy: -71.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -909.659608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.659608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.659608 (E_RNA) where: Base-Base interactions energy: -533.176 where: short stacking energy: -260.853 Base-Backbone interact. energy: -2.856 local terms energy: -373.627833 where: bonds (distance) C4'-P energy: -90.635 bonds (distance) P-C4' energy: -80.567 flat angles C4'-P-C4' energy: -92.703 flat angles P-C4'-P energy: -51.852 tors. eta vs tors. theta energy: -57.871 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: 8 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -838.052454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.052454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.052454 (E_RNA) where: Base-Base interactions energy: -530.442 where: short stacking energy: -261.403 Base-Backbone interact. energy: -2.110 local terms energy: -305.499701 where: bonds (distance) C4'-P energy: -66.014 bonds (distance) P-C4' energy: -78.070 flat angles C4'-P-C4' energy: -73.404 flat angles P-C4'-P energy: -56.970 tors. eta vs tors. theta energy: -31.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -676.051138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.051138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.051138 (E_RNA) where: Base-Base interactions energy: -340.658 where: short stacking energy: -181.120 Base-Backbone interact. energy: 2.419 local terms energy: -337.811340 where: bonds (distance) C4'-P energy: -81.525 bonds (distance) P-C4' energy: -96.173 flat angles C4'-P-C4' energy: -69.405 flat angles P-C4'-P energy: -50.903 tors. eta vs tors. theta energy: -39.805 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: 1 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -582.946746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.946746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.946746 (E_RNA) where: Base-Base interactions energy: -285.380 where: short stacking energy: -177.659 Base-Backbone interact. energy: -0.479 local terms energy: -297.087421 where: bonds (distance) C4'-P energy: -81.175 bonds (distance) P-C4' energy: -72.218 flat angles C4'-P-C4' energy: -69.912 flat angles P-C4'-P energy: -59.220 tors. eta vs tors. theta energy: -14.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -531.927329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.927329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.927329 (E_RNA) where: Base-Base interactions energy: -283.913 where: short stacking energy: -125.976 Base-Backbone interact. energy: -2.166 local terms energy: -245.848444 where: bonds (distance) C4'-P energy: -78.265 bonds (distance) P-C4' energy: -81.169 flat angles C4'-P-C4' energy: -57.350 flat angles P-C4'-P energy: -44.304 tors. eta vs tors. theta energy: 15.239 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: 10 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1492.284192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.284192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.284192 (E_RNA) where: Base-Base interactions energy: -1000.781 where: short stacking energy: -422.723 Base-Backbone interact. energy: -8.187 local terms energy: -483.317103 where: bonds (distance) C4'-P energy: -88.343 bonds (distance) P-C4' energy: -105.182 flat angles C4'-P-C4' energy: -98.053 flat angles P-C4'-P energy: -78.916 tors. eta vs tors. theta energy: -112.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1363.669977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.669977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.669977 (E_RNA) where: Base-Base interactions energy: -885.835 where: short stacking energy: -419.918 Base-Backbone interact. energy: -2.535 local terms energy: -475.299908 where: bonds (distance) C4'-P energy: -89.785 bonds (distance) P-C4' energy: -109.520 flat angles C4'-P-C4' energy: -94.704 flat angles P-C4'-P energy: -65.318 tors. eta vs tors. theta energy: -115.973 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: 108 Temperature: 1.000000 Total energy: -1301.651153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.651153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.651153 (E_RNA) where: Base-Base interactions energy: -875.071 where: short stacking energy: -390.987 Base-Backbone interact. energy: -2.884 local terms energy: -423.696963 where: bonds (distance) C4'-P energy: -80.847 bonds (distance) P-C4' energy: -75.741 flat angles C4'-P-C4' energy: -94.411 flat angles P-C4'-P energy: -68.876 tors. eta vs tors. theta energy: -103.821 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: 3 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1131.520703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.520703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.520703 (E_RNA) where: Base-Base interactions energy: -731.465 where: short stacking energy: -352.751 Base-Backbone interact. energy: -0.165 local terms energy: -399.890595 where: bonds (distance) C4'-P energy: -75.345 bonds (distance) P-C4' energy: -97.137 flat angles C4'-P-C4' energy: -81.786 flat angles P-C4'-P energy: -59.086 tors. eta vs tors. theta energy: -86.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1003.524423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.524423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.524423 (E_RNA) where: Base-Base interactions energy: -617.272 where: short stacking energy: -286.198 Base-Backbone interact. energy: -1.681 local terms energy: -384.571111 where: bonds (distance) C4'-P energy: -73.074 bonds (distance) P-C4' energy: -95.692 flat angles C4'-P-C4' energy: -97.789 flat angles P-C4'-P energy: -47.839 tors. eta vs tors. theta energy: -70.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -914.782915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.782915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.782915 (E_RNA) where: Base-Base interactions energy: -567.113 where: short stacking energy: -287.614 Base-Backbone interact. energy: -2.402 local terms energy: -345.267073 where: bonds (distance) C4'-P energy: -86.944 bonds (distance) P-C4' energy: -80.410 flat angles C4'-P-C4' energy: -84.558 flat angles P-C4'-P energy: -36.014 tors. eta vs tors. theta energy: -57.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -839.754945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.754945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.754945 (E_RNA) where: Base-Base interactions energy: -512.553 where: short stacking energy: -232.734 Base-Backbone interact. energy: -2.584 local terms energy: -324.617837 where: bonds (distance) C4'-P energy: -75.937 bonds (distance) P-C4' energy: -84.411 flat angles C4'-P-C4' energy: -75.025 flat angles P-C4'-P energy: -46.386 tors. eta vs tors. theta energy: -42.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -665.723497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.723497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.723497 (E_RNA) where: Base-Base interactions energy: -352.170 where: short stacking energy: -181.578 Base-Backbone interact. energy: 1.951 local terms energy: -315.504870 where: bonds (distance) C4'-P energy: -88.310 bonds (distance) P-C4' energy: -95.631 flat angles C4'-P-C4' energy: -66.729 flat angles P-C4'-P energy: -45.331 tors. eta vs tors. theta energy: -19.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -515.216166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.216166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.216166 (E_RNA) where: Base-Base interactions energy: -259.377 where: short stacking energy: -164.640 Base-Backbone interact. energy: 0.953 local terms energy: -256.792834 where: bonds (distance) C4'-P energy: -78.324 bonds (distance) P-C4' energy: -59.478 flat angles C4'-P-C4' energy: -73.903 flat angles P-C4'-P energy: -37.104 tors. eta vs tors. theta energy: -7.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -520.139872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.139872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.139872 (E_RNA) where: Base-Base interactions energy: -262.124 where: short stacking energy: -152.720 Base-Backbone interact. energy: 3.218 local terms energy: -261.234050 where: bonds (distance) C4'-P energy: -60.009 bonds (distance) P-C4' energy: -75.763 flat angles C4'-P-C4' energy: -81.638 flat angles P-C4'-P energy: -45.411 tors. eta vs tors. theta energy: 1.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1509.639949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.639949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.639949 (E_RNA) where: Base-Base interactions energy: -1014.269 where: short stacking energy: -438.716 Base-Backbone interact. energy: -1.871 local terms energy: -493.500674 where: bonds (distance) C4'-P energy: -99.047 bonds (distance) P-C4' energy: -95.545 flat angles C4'-P-C4' energy: -102.187 flat angles P-C4'-P energy: -70.859 tors. eta vs tors. theta energy: -125.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1326.359984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.359984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.359984 (E_RNA) where: Base-Base interactions energy: -862.118 where: short stacking energy: -416.526 Base-Backbone interact. energy: -0.299 local terms energy: -463.942977 where: bonds (distance) C4'-P energy: -80.943 bonds (distance) P-C4' energy: -96.189 flat angles C4'-P-C4' energy: -100.687 flat angles P-C4'-P energy: -74.513 tors. eta vs tors. theta energy: -111.611 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: 5 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1295.492997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.492997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.492997 (E_RNA) where: Base-Base interactions energy: -837.570 where: short stacking energy: -401.239 Base-Backbone interact. energy: -2.709 local terms energy: -455.214169 where: bonds (distance) C4'-P energy: -91.388 bonds (distance) P-C4' energy: -83.023 flat angles C4'-P-C4' energy: -100.283 flat angles P-C4'-P energy: -68.048 tors. eta vs tors. theta energy: -112.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1155.194777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.194777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.194777 (E_RNA) where: Base-Base interactions energy: -758.906 where: short stacking energy: -345.929 Base-Backbone interact. energy: -0.645 local terms energy: -395.644107 where: bonds (distance) C4'-P energy: -73.848 bonds (distance) P-C4' energy: -86.693 flat angles C4'-P-C4' energy: -92.678 flat angles P-C4'-P energy: -59.165 tors. eta vs tors. theta energy: -83.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -1005.446117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.446117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.446117 (E_RNA) where: Base-Base interactions energy: -608.994 where: short stacking energy: -297.413 Base-Backbone interact. energy: -3.517 local terms energy: -392.934912 where: bonds (distance) C4'-P energy: -93.066 bonds (distance) P-C4' energy: -88.616 flat angles C4'-P-C4' energy: -90.095 flat angles P-C4'-P energy: -63.669 tors. eta vs tors. theta energy: -57.489 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: 6, replica: 8 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -920.454032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.454032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.454032 (E_RNA) where: Base-Base interactions energy: -564.431 where: short stacking energy: -265.312 Base-Backbone interact. energy: -1.696 local terms energy: -354.326611 where: bonds (distance) C4'-P energy: -73.281 bonds (distance) P-C4' energy: -84.945 flat angles C4'-P-C4' energy: -89.690 flat angles P-C4'-P energy: -51.794 tors. eta vs tors. theta energy: -54.617 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: 109 Temperature: 1.200000 Total energy: -881.999396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.999396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.999396 (E_RNA) where: Base-Base interactions energy: -508.194 where: short stacking energy: -240.077 Base-Backbone interact. energy: -1.295 local terms energy: -372.510746 where: bonds (distance) C4'-P energy: -78.934 bonds (distance) P-C4' energy: -86.729 flat angles C4'-P-C4' energy: -87.640 flat angles P-C4'-P energy: -63.537 tors. eta vs tors. theta energy: -55.671 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: 6 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -677.182044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.182044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.182044 (E_RNA) where: Base-Base interactions energy: -368.524 where: short stacking energy: -199.475 Base-Backbone interact. energy: 2.982 local terms energy: -311.639961 where: bonds (distance) C4'-P energy: -72.712 bonds (distance) P-C4' energy: -81.781 flat angles C4'-P-C4' energy: -88.259 flat angles P-C4'-P energy: -48.763 tors. eta vs tors. theta energy: -20.126 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: 7 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -529.102045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.102045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.102045 (E_RNA) where: Base-Base interactions energy: -267.155 where: short stacking energy: -158.074 Base-Backbone interact. energy: -1.302 local terms energy: -260.645622 where: bonds (distance) C4'-P energy: -71.255 bonds (distance) P-C4' energy: -87.384 flat angles C4'-P-C4' energy: -76.784 flat angles P-C4'-P energy: -45.007 tors. eta vs tors. theta energy: 19.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -478.219519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.219519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.219519 (E_RNA) where: Base-Base interactions energy: -241.632 where: short stacking energy: -134.114 Base-Backbone interact. energy: 4.602 local terms energy: -241.189201 where: bonds (distance) C4'-P energy: -52.247 bonds (distance) P-C4' energy: -71.627 flat angles C4'-P-C4' energy: -75.858 flat angles P-C4'-P energy: -40.165 tors. eta vs tors. theta energy: -1.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1498.457100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.457100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.457100 (E_RNA) where: Base-Base interactions energy: -1019.522 where: short stacking energy: -413.949 Base-Backbone interact. energy: -1.027 local terms energy: -477.908495 where: bonds (distance) C4'-P energy: -95.292 bonds (distance) P-C4' energy: -96.763 flat angles C4'-P-C4' energy: -101.836 flat angles P-C4'-P energy: -67.640 tors. eta vs tors. theta energy: -116.378 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: 2 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1327.606154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.606154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.606154 (E_RNA) where: Base-Base interactions energy: -869.490 where: short stacking energy: -431.922 Base-Backbone interact. energy: -0.063 local terms energy: -458.053259 where: bonds (distance) C4'-P energy: -97.167 bonds (distance) P-C4' energy: -95.166 flat angles C4'-P-C4' energy: -96.434 flat angles P-C4'-P energy: -57.602 tors. eta vs tors. theta energy: -111.685 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: 3 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1254.849738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.849738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.849738 (E_RNA) where: Base-Base interactions energy: -794.528 where: short stacking energy: -374.311 Base-Backbone interact. energy: -0.505 local terms energy: -459.817327 where: bonds (distance) C4'-P energy: -96.782 bonds (distance) P-C4' energy: -95.912 flat angles C4'-P-C4' energy: -99.484 flat angles P-C4'-P energy: -67.374 tors. eta vs tors. theta energy: -100.266 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: 5 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1216.559080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.559080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.559080 (E_RNA) where: Base-Base interactions energy: -776.490 where: short stacking energy: -367.266 Base-Backbone interact. energy: -1.181 local terms energy: -438.887127 where: bonds (distance) C4'-P energy: -86.235 bonds (distance) P-C4' energy: -93.195 flat angles C4'-P-C4' energy: -106.679 flat angles P-C4'-P energy: -47.149 tors. eta vs tors. theta energy: -105.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1051.023507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.023507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.023507 (E_RNA) where: Base-Base interactions energy: -641.065 where: short stacking energy: -307.080 Base-Backbone interact. energy: -1.858 local terms energy: -408.100840 where: bonds (distance) C4'-P energy: -82.285 bonds (distance) P-C4' energy: -98.952 flat angles C4'-P-C4' energy: -98.800 flat angles P-C4'-P energy: -44.065 tors. eta vs tors. theta energy: -83.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -912.232603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.232603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.232603 (E_RNA) where: Base-Base interactions energy: -570.313 where: short stacking energy: -263.992 Base-Backbone interact. energy: 2.286 local terms energy: -344.205564 where: bonds (distance) C4'-P energy: -79.220 bonds (distance) P-C4' energy: -93.374 flat angles C4'-P-C4' energy: -89.652 flat angles P-C4'-P energy: -49.252 tors. eta vs tors. theta energy: -32.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -856.746678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.746678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.746678 (E_RNA) where: Base-Base interactions energy: -508.580 where: short stacking energy: -241.523 Base-Backbone interact. energy: -1.055 local terms energy: -347.111425 where: bonds (distance) C4'-P energy: -75.158 bonds (distance) P-C4' energy: -88.592 flat angles C4'-P-C4' energy: -81.763 flat angles P-C4'-P energy: -44.700 tors. eta vs tors. theta energy: -56.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -691.062117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.062117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.062117 (E_RNA) where: Base-Base interactions energy: -364.415 where: short stacking energy: -196.301 Base-Backbone interact. energy: -1.056 local terms energy: -325.591013 where: bonds (distance) C4'-P energy: -83.108 bonds (distance) P-C4' energy: -84.470 flat angles C4'-P-C4' energy: -71.927 flat angles P-C4'-P energy: -41.149 tors. eta vs tors. theta energy: -44.938 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: 1 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -521.454637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.454637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.454637 (E_RNA) where: Base-Base interactions energy: -251.717 where: short stacking energy: -136.423 Base-Backbone interact. energy: 3.477 local terms energy: -273.214963 where: bonds (distance) C4'-P energy: -76.575 bonds (distance) P-C4' energy: -97.783 flat angles C4'-P-C4' energy: -52.988 flat angles P-C4'-P energy: -54.105 tors. eta vs tors. theta energy: 8.236 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: 110 Temperature: 1.350000 Total energy: -540.970932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.970932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.970932 (E_RNA) where: Base-Base interactions energy: -269.548 where: short stacking energy: -156.522 Base-Backbone interact. energy: 2.122 local terms energy: -273.545335 where: bonds (distance) C4'-P energy: -76.179 bonds (distance) P-C4' energy: -77.696 flat angles C4'-P-C4' energy: -79.292 flat angles P-C4'-P energy: -45.920 tors. eta vs tors. theta energy: 5.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1495.313504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.313504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.313504 (E_RNA) where: Base-Base interactions energy: -994.070 where: short stacking energy: -428.199 Base-Backbone interact. energy: -5.938 local terms energy: -495.304661 where: bonds (distance) C4'-P energy: -98.953 bonds (distance) P-C4' energy: -98.813 flat angles C4'-P-C4' energy: -110.304 flat angles P-C4'-P energy: -66.202 tors. eta vs tors. theta energy: -121.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1322.385781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.385781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.385781 (E_RNA) where: Base-Base interactions energy: -859.995 where: short stacking energy: -403.573 Base-Backbone interact. energy: -0.661 local terms energy: -461.729691 where: bonds (distance) C4'-P energy: -99.956 bonds (distance) P-C4' energy: -79.450 flat angles C4'-P-C4' energy: -100.665 flat angles P-C4'-P energy: -69.947 tors. eta vs tors. theta energy: -111.711 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: 3 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1242.325073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.325073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.325073 (E_RNA) where: Base-Base interactions energy: -785.305 where: short stacking energy: -384.634 Base-Backbone interact. energy: -1.893 local terms energy: -455.127229 where: bonds (distance) C4'-P energy: -94.752 bonds (distance) P-C4' energy: -86.163 flat angles C4'-P-C4' energy: -99.560 flat angles P-C4'-P energy: -59.423 tors. eta vs tors. theta energy: -115.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1194.878928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.878928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.878928 (E_RNA) where: Base-Base interactions energy: -743.484 where: short stacking energy: -366.540 Base-Backbone interact. energy: -2.055 local terms energy: -449.340050 where: bonds (distance) C4'-P energy: -96.570 bonds (distance) P-C4' energy: -95.276 flat angles C4'-P-C4' energy: -93.394 flat angles P-C4'-P energy: -63.009 tors. eta vs tors. theta energy: -101.091 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: 9 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1010.050093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.050093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.050093 (E_RNA) where: Base-Base interactions energy: -632.592 where: short stacking energy: -297.277 Base-Backbone interact. energy: -2.078 local terms energy: -375.379721 where: bonds (distance) C4'-P energy: -82.096 bonds (distance) P-C4' energy: -102.497 flat angles C4'-P-C4' energy: -78.727 flat angles P-C4'-P energy: -61.006 tors. eta vs tors. theta energy: -51.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -929.111251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.111251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.111251 (E_RNA) where: Base-Base interactions energy: -570.550 where: short stacking energy: -257.786 Base-Backbone interact. energy: 1.192 local terms energy: -359.753577 where: bonds (distance) C4'-P energy: -85.778 bonds (distance) P-C4' energy: -78.116 flat angles C4'-P-C4' energy: -84.044 flat angles P-C4'-P energy: -67.461 tors. eta vs tors. theta energy: -44.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -828.253369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.253369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.253369 (E_RNA) where: Base-Base interactions energy: -508.089 where: short stacking energy: -257.760 Base-Backbone interact. energy: -1.728 local terms energy: -318.435820 where: bonds (distance) C4'-P energy: -86.516 bonds (distance) P-C4' energy: -66.812 flat angles C4'-P-C4' energy: -78.549 flat angles P-C4'-P energy: -49.879 tors. eta vs tors. theta energy: -36.680 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: 6 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -689.102694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.102694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.102694 (E_RNA) where: Base-Base interactions energy: -368.615 where: short stacking energy: -215.187 Base-Backbone interact. energy: 7.575 local terms energy: -328.062526 where: bonds (distance) C4'-P energy: -81.086 bonds (distance) P-C4' energy: -91.753 flat angles C4'-P-C4' energy: -76.086 flat angles P-C4'-P energy: -49.220 tors. eta vs tors. theta energy: -29.917 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: 1 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -567.688564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.688564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.688564 (E_RNA) where: Base-Base interactions energy: -307.461 where: short stacking energy: -162.217 Base-Backbone interact. energy: -1.938 local terms energy: -258.289393 where: bonds (distance) C4'-P energy: -81.059 bonds (distance) P-C4' energy: -90.461 flat angles C4'-P-C4' energy: -66.655 flat angles P-C4'-P energy: -30.240 tors. eta vs tors. theta energy: 10.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -507.682412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.682412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.682412 (E_RNA) where: Base-Base interactions energy: -251.070 where: short stacking energy: -135.794 Base-Backbone interact. energy: -0.716 local terms energy: -255.896542 where: bonds (distance) C4'-P energy: -75.144 bonds (distance) P-C4' energy: -79.201 flat angles C4'-P-C4' energy: -69.929 flat angles P-C4'-P energy: -40.939 tors. eta vs tors. theta energy: 9.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1497.728049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.728049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.728049 (E_RNA) where: Base-Base interactions energy: -989.255 where: short stacking energy: -436.458 Base-Backbone interact. energy: -3.083 local terms energy: -505.389877 where: bonds (distance) C4'-P energy: -99.724 bonds (distance) P-C4' energy: -97.433 flat angles C4'-P-C4' energy: -107.577 flat angles P-C4'-P energy: -75.770 tors. eta vs tors. theta energy: -124.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1326.303293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.303293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.303293 (E_RNA) where: Base-Base interactions energy: -849.911 where: short stacking energy: -403.096 Base-Backbone interact. energy: -1.088 local terms energy: -475.304220 where: bonds (distance) C4'-P energy: -87.914 bonds (distance) P-C4' energy: -102.459 flat angles C4'-P-C4' energy: -106.679 flat angles P-C4'-P energy: -58.043 tors. eta vs tors. theta energy: -120.209 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: 5 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1245.640586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.640586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.640586 (E_RNA) where: Base-Base interactions energy: -797.524 where: short stacking energy: -386.649 Base-Backbone interact. energy: -1.661 local terms energy: -446.455626 where: bonds (distance) C4'-P energy: -89.239 bonds (distance) P-C4' energy: -96.245 flat angles C4'-P-C4' energy: -102.948 flat angles P-C4'-P energy: -60.313 tors. eta vs tors. theta energy: -97.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1220.882511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.882511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.882511 (E_RNA) where: Base-Base interactions energy: -775.474 where: short stacking energy: -360.830 Base-Backbone interact. energy: 2.492 local terms energy: -447.900708 where: bonds (distance) C4'-P energy: -84.008 bonds (distance) P-C4' energy: -101.913 flat angles C4'-P-C4' energy: -101.325 flat angles P-C4'-P energy: -59.503 tors. eta vs tors. theta energy: -101.151 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: 9 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1000.436123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.436123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.436123 (E_RNA) where: Base-Base interactions energy: -608.739 where: short stacking energy: -278.143 Base-Backbone interact. energy: -1.078 local terms energy: -390.620045 where: bonds (distance) C4'-P energy: -88.299 bonds (distance) P-C4' energy: -82.568 flat angles C4'-P-C4' energy: -91.859 flat angles P-C4'-P energy: -61.713 tors. eta vs tors. theta energy: -66.182 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: 8 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -935.934073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.934073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.934073 (E_RNA) where: Base-Base interactions energy: -574.921 where: short stacking energy: -257.739 Base-Backbone interact. energy: -2.619 local terms energy: -358.393848 where: bonds (distance) C4'-P energy: -82.412 bonds (distance) P-C4' energy: -87.361 flat angles C4'-P-C4' energy: -80.360 flat angles P-C4'-P energy: -60.608 tors. eta vs tors. theta energy: -47.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -873.849877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.849877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.849877 (E_RNA) where: Base-Base interactions energy: -528.943 where: short stacking energy: -265.992 Base-Backbone interact. energy: -3.007 local terms energy: -341.899865 where: bonds (distance) C4'-P energy: -86.204 bonds (distance) P-C4' energy: -86.720 flat angles C4'-P-C4' energy: -78.730 flat angles P-C4'-P energy: -41.209 tors. eta vs tors. theta energy: -49.038 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: 8, replica: 6 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -718.675685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.675685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.675685 (E_RNA) where: Base-Base interactions energy: -403.147 where: short stacking energy: -222.290 Base-Backbone interact. energy: -2.157 local terms energy: -313.371142 where: bonds (distance) C4'-P energy: -74.797 bonds (distance) P-C4' energy: -75.656 flat angles C4'-P-C4' energy: -82.623 flat angles P-C4'-P energy: -41.240 tors. eta vs tors. theta energy: -39.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -580.868403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.868403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.868403 (E_RNA) where: Base-Base interactions energy: -322.036 where: short stacking energy: -167.669 Base-Backbone interact. energy: 1.147 local terms energy: -259.979309 where: bonds (distance) C4'-P energy: -64.597 bonds (distance) P-C4' energy: -94.417 flat angles C4'-P-C4' energy: -70.321 flat angles P-C4'-P energy: -32.115 tors. eta vs tors. theta energy: 1.470 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: 7 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -508.893807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.893807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.893807 (E_RNA) where: Base-Base interactions energy: -242.914 where: short stacking energy: -138.242 Base-Backbone interact. energy: -1.893 local terms energy: -264.086912 where: bonds (distance) C4'-P energy: -81.306 bonds (distance) P-C4' energy: -76.594 flat angles C4'-P-C4' energy: -58.356 flat angles P-C4'-P energy: -56.142 tors. eta vs tors. theta energy: 8.311 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: 1, replica: 10 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1479.034533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.034533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.034533 (E_RNA) where: Base-Base interactions energy: -979.563 where: short stacking energy: -429.414 Base-Backbone interact. energy: -2.883 local terms energy: -496.588417 where: bonds (distance) C4'-P energy: -102.778 bonds (distance) P-C4' energy: -99.842 flat angles C4'-P-C4' energy: -109.661 flat angles P-C4'-P energy: -62.882 tors. eta vs tors. theta energy: -121.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1332.641885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.641885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.641885 (E_RNA) where: Base-Base interactions energy: -860.247 where: short stacking energy: -435.269 Base-Backbone interact. energy: -3.421 local terms energy: -468.974300 where: bonds (distance) C4'-P energy: -89.956 bonds (distance) P-C4' energy: -80.495 flat angles C4'-P-C4' energy: -101.563 flat angles P-C4'-P energy: -68.064 tors. eta vs tors. theta energy: -128.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1283.904032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.904032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.904032 (E_RNA) where: Base-Base interactions energy: -823.625 where: short stacking energy: -407.515 Base-Backbone interact. energy: -3.433 local terms energy: -456.846063 where: bonds (distance) C4'-P energy: -90.557 bonds (distance) P-C4' energy: -100.118 flat angles C4'-P-C4' energy: -89.782 flat angles P-C4'-P energy: -63.796 tors. eta vs tors. theta energy: -112.593 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: 3 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1177.525153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.525153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.525153 (E_RNA) where: Base-Base interactions energy: -741.072 where: short stacking energy: -356.329 Base-Backbone interact. energy: -1.252 local terms energy: -435.201163 where: bonds (distance) C4'-P energy: -88.985 bonds (distance) P-C4' energy: -96.560 flat angles C4'-P-C4' energy: -90.641 flat angles P-C4'-P energy: -59.438 tors. eta vs tors. theta energy: -99.578 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: 5, replica: 9 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1009.862343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.862343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.862343 (E_RNA) where: Base-Base interactions energy: -631.208 where: short stacking energy: -318.437 Base-Backbone interact. energy: 1.902 local terms energy: -380.556788 where: bonds (distance) C4'-P energy: -96.522 bonds (distance) P-C4' energy: -87.277 flat angles C4'-P-C4' energy: -82.726 flat angles P-C4'-P energy: -48.195 tors. eta vs tors. theta energy: -65.836 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: 8 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -945.467751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.467751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.467751 (E_RNA) where: Base-Base interactions energy: -569.466 where: short stacking energy: -262.825 Base-Backbone interact. energy: -1.118 local terms energy: -374.883521 where: bonds (distance) C4'-P energy: -87.757 bonds (distance) P-C4' energy: -89.768 flat angles C4'-P-C4' energy: -85.928 flat angles P-C4'-P energy: -59.075 tors. eta vs tors. theta energy: -52.355 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: 4 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -853.711144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.711144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.711144 (E_RNA) where: Base-Base interactions energy: -513.496 where: short stacking energy: -256.595 Base-Backbone interact. energy: 5.865 local terms energy: -346.080032 where: bonds (distance) C4'-P energy: -77.838 bonds (distance) P-C4' energy: -82.029 flat angles C4'-P-C4' energy: -75.101 flat angles P-C4'-P energy: -58.065 tors. eta vs tors. theta energy: -53.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -743.134675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.134675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.134675 (E_RNA) where: Base-Base interactions energy: -433.964 where: short stacking energy: -213.393 Base-Backbone interact. energy: -1.144 local terms energy: -308.026504 where: bonds (distance) C4'-P energy: -89.830 bonds (distance) P-C4' energy: -93.380 flat angles C4'-P-C4' energy: -49.304 flat angles P-C4'-P energy: -47.704 tors. eta vs tors. theta energy: -27.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -653.532738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.532738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.532738 (E_RNA) where: Base-Base interactions energy: -340.748 where: short stacking energy: -170.047 Base-Backbone interact. energy: 0.167 local terms energy: -312.951624 where: bonds (distance) C4'-P energy: -78.676 bonds (distance) P-C4' energy: -82.640 flat angles C4'-P-C4' energy: -71.944 flat angles P-C4'-P energy: -71.403 tors. eta vs tors. theta energy: -8.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -498.189090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.189090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.189090 (E_RNA) where: Base-Base interactions energy: -241.063 where: short stacking energy: -133.889 Base-Backbone interact. energy: 0.157 local terms energy: -257.282361 where: bonds (distance) C4'-P energy: -79.231 bonds (distance) P-C4' energy: -75.392 flat angles C4'-P-C4' energy: -65.265 flat angles P-C4'-P energy: -37.269 tors. eta vs tors. theta energy: -0.126 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: 10 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1491.664569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.664569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.664569 (E_RNA) where: Base-Base interactions energy: -1003.031 where: short stacking energy: -411.628 Base-Backbone interact. energy: -2.597 local terms energy: -486.036597 where: bonds (distance) C4'-P energy: -91.544 bonds (distance) P-C4' energy: -99.548 flat angles C4'-P-C4' energy: -106.850 flat angles P-C4'-P energy: -71.529 tors. eta vs tors. theta energy: -116.565 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: 2 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1305.713207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.713207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.713207 (E_RNA) where: Base-Base interactions energy: -826.615 where: short stacking energy: -401.904 Base-Backbone interact. energy: 0.832 local terms energy: -479.929713 where: bonds (distance) C4'-P energy: -99.423 bonds (distance) P-C4' energy: -90.578 flat angles C4'-P-C4' energy: -112.400 flat angles P-C4'-P energy: -68.816 tors. eta vs tors. theta energy: -108.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -1285.746969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.746969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.746969 (E_RNA) where: Base-Base interactions energy: -824.443 where: short stacking energy: -390.059 Base-Backbone interact. energy: -1.676 local terms energy: -459.628265 where: bonds (distance) C4'-P energy: -90.816 bonds (distance) P-C4' energy: -98.228 flat angles C4'-P-C4' energy: -83.805 flat angles P-C4'-P energy: -71.818 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: 3 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1139.590921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.590921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.590921 (E_RNA) where: Base-Base interactions energy: -717.867 where: short stacking energy: -348.034 Base-Backbone interact. energy: -0.848 local terms energy: -420.875803 where: bonds (distance) C4'-P energy: -92.582 bonds (distance) P-C4' energy: -93.331 flat angles C4'-P-C4' energy: -90.212 flat angles P-C4'-P energy: -57.701 tors. eta vs tors. theta energy: -87.050 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: 114 Temperature: 1.100000 Total energy: -1008.249988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.249988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.249988 (E_RNA) where: Base-Base interactions energy: -644.133 where: short stacking energy: -313.976 Base-Backbone interact. energy: 0.251 local terms energy: -364.368018 where: bonds (distance) C4'-P energy: -78.862 bonds (distance) P-C4' energy: -75.330 flat angles C4'-P-C4' energy: -95.823 flat angles P-C4'-P energy: -40.860 tors. eta vs tors. theta energy: -73.494 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: 8 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -928.230721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.230721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.230721 (E_RNA) where: Base-Base interactions energy: -557.184 where: short stacking energy: -261.474 Base-Backbone interact. energy: -2.647 local terms energy: -368.399747 where: bonds (distance) C4'-P energy: -82.982 bonds (distance) P-C4' energy: -100.625 flat angles C4'-P-C4' energy: -83.317 flat angles P-C4'-P energy: -45.966 tors. eta vs tors. theta energy: -55.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -855.089255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.089255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.089255 (E_RNA) where: Base-Base interactions energy: -512.477 where: short stacking energy: -259.694 Base-Backbone interact. energy: 0.348 local terms energy: -342.960427 where: bonds (distance) C4'-P energy: -92.344 bonds (distance) P-C4' energy: -71.647 flat angles C4'-P-C4' energy: -78.113 flat angles P-C4'-P energy: -53.530 tors. eta vs tors. theta energy: -47.327 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: 6 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -681.180667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.180667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.180667 (E_RNA) where: Base-Base interactions energy: -391.206 where: short stacking energy: -211.301 Base-Backbone interact. energy: 3.763 local terms energy: -293.738193 where: bonds (distance) C4'-P energy: -83.876 bonds (distance) P-C4' energy: -73.576 flat angles C4'-P-C4' energy: -53.278 flat angles P-C4'-P energy: -45.451 tors. eta vs tors. theta energy: -37.557 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: 1 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -609.890751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.890751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.890751 (E_RNA) where: Base-Base interactions energy: -313.265 where: short stacking energy: -158.823 Base-Backbone interact. energy: -1.007 local terms energy: -295.618168 where: bonds (distance) C4'-P energy: -72.220 bonds (distance) P-C4' energy: -81.762 flat angles C4'-P-C4' energy: -70.101 flat angles P-C4'-P energy: -50.460 tors. eta vs tors. theta energy: -21.076 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: 114 Temperature: 1.350000 Total energy: -505.252157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.252157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.252157 (E_RNA) where: Base-Base interactions energy: -230.212 where: short stacking energy: -121.306 Base-Backbone interact. energy: 2.326 local terms energy: -277.365603 where: bonds (distance) C4'-P energy: -66.197 bonds (distance) P-C4' energy: -92.604 flat angles C4'-P-C4' energy: -81.427 flat angles P-C4'-P energy: -44.713 tors. eta vs tors. theta energy: 7.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1496.028584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.028584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.028584 (E_RNA) where: Base-Base interactions energy: -1000.030 where: short stacking energy: -430.633 Base-Backbone interact. energy: -1.407 local terms energy: -494.591766 where: bonds (distance) C4'-P energy: -99.988 bonds (distance) P-C4' energy: -95.167 flat angles C4'-P-C4' energy: -111.557 flat angles P-C4'-P energy: -69.722 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: 2, replica: 5 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1356.462851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.462851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.462851 (E_RNA) where: Base-Base interactions energy: -877.658 where: short stacking energy: -404.631 Base-Backbone interact. energy: -1.773 local terms energy: -477.032210 where: bonds (distance) C4'-P energy: -92.065 bonds (distance) P-C4' energy: -98.211 flat angles C4'-P-C4' energy: -101.998 flat angles P-C4'-P energy: -69.923 tors. eta vs tors. theta energy: -114.836 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: 2 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1277.891940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.891940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.891940 (E_RNA) where: Base-Base interactions energy: -813.377 where: short stacking energy: -403.294 Base-Backbone interact. energy: 2.048 local terms energy: -466.563477 where: bonds (distance) C4'-P energy: -85.919 bonds (distance) P-C4' energy: -85.417 flat angles C4'-P-C4' energy: -103.262 flat angles P-C4'-P energy: -68.843 tors. eta vs tors. theta energy: -123.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1130.578163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.578163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.578163 (E_RNA) where: Base-Base interactions energy: -685.270 where: short stacking energy: -329.280 Base-Backbone interact. energy: 1.908 local terms energy: -447.216742 where: bonds (distance) C4'-P energy: -92.481 bonds (distance) P-C4' energy: -102.122 flat angles C4'-P-C4' energy: -99.708 flat angles P-C4'-P energy: -67.412 tors. eta vs tors. theta energy: -85.494 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: 9 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -994.541607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.541607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.541607 (E_RNA) where: Base-Base interactions energy: -604.184 where: short stacking energy: -299.629 Base-Backbone interact. energy: 1.067 local terms energy: -391.424397 where: bonds (distance) C4'-P energy: -87.140 bonds (distance) P-C4' energy: -90.346 flat angles C4'-P-C4' energy: -86.880 flat angles P-C4'-P energy: -70.791 tors. eta vs tors. theta energy: -56.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -874.377933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.377933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.377933 (E_RNA) where: Base-Base interactions energy: -528.938 where: short stacking energy: -268.114 Base-Backbone interact. energy: 3.589 local terms energy: -349.029082 where: bonds (distance) C4'-P energy: -79.130 bonds (distance) P-C4' energy: -71.999 flat angles C4'-P-C4' energy: -84.281 flat angles P-C4'-P energy: -59.037 tors. eta vs tors. theta energy: -54.582 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: 115 Temperature: 1.200000 Total energy: -867.881377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.881377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.881377 (E_RNA) where: Base-Base interactions energy: -535.000 where: short stacking energy: -266.513 Base-Backbone interact. energy: 1.044 local terms energy: -333.925273 where: bonds (distance) C4'-P energy: -88.948 bonds (distance) P-C4' energy: -73.165 flat angles C4'-P-C4' energy: -75.912 flat angles P-C4'-P energy: -51.112 tors. eta vs tors. theta energy: -44.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -709.161878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.161878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.161878 (E_RNA) where: Base-Base interactions energy: -392.526 where: short stacking energy: -198.597 Base-Backbone interact. energy: 0.502 local terms energy: -317.137335 where: bonds (distance) C4'-P energy: -88.246 bonds (distance) P-C4' energy: -76.623 flat angles C4'-P-C4' energy: -76.906 flat angles P-C4'-P energy: -42.400 tors. eta vs tors. theta energy: -32.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -631.588491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.588491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.588491 (E_RNA) where: Base-Base interactions energy: -330.472 where: short stacking energy: -178.478 Base-Backbone interact. energy: -2.346 local terms energy: -298.770662 where: bonds (distance) C4'-P energy: -83.898 bonds (distance) P-C4' energy: -86.387 flat angles C4'-P-C4' energy: -60.348 flat angles P-C4'-P energy: -45.508 tors. eta vs tors. theta energy: -22.630 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: 10, replica: 7 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -540.417703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.417703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.417703 (E_RNA) where: Base-Base interactions energy: -290.432 where: short stacking energy: -166.362 Base-Backbone interact. energy: -1.970 local terms energy: -248.015441 where: bonds (distance) C4'-P energy: -60.870 bonds (distance) P-C4' energy: -95.028 flat angles C4'-P-C4' energy: -62.355 flat angles P-C4'-P energy: -26.231 tors. eta vs tors. theta energy: -3.531 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: 10 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1453.029382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.029382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.029382 (E_RNA) where: Base-Base interactions energy: -978.940 where: short stacking energy: -409.881 Base-Backbone interact. energy: -4.491 local terms energy: -469.598541 where: bonds (distance) C4'-P energy: -103.431 bonds (distance) P-C4' energy: -105.075 flat angles C4'-P-C4' energy: -101.033 flat angles P-C4'-P energy: -56.500 tors. eta vs tors. theta energy: -103.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1343.634577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.634577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.634577 (E_RNA) where: Base-Base interactions energy: -864.914 where: short stacking energy: -382.809 Base-Backbone interact. energy: -1.761 local terms energy: -476.959082 where: bonds (distance) C4'-P energy: -95.389 bonds (distance) P-C4' energy: -94.352 flat angles C4'-P-C4' energy: -102.606 flat angles P-C4'-P energy: -63.925 tors. eta vs tors. theta energy: -120.687 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: 2 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1300.829743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.829743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.829743 (E_RNA) where: Base-Base interactions energy: -838.879 where: short stacking energy: -393.467 Base-Backbone interact. energy: -2.326 local terms energy: -459.624577 where: bonds (distance) C4'-P energy: -90.712 bonds (distance) P-C4' energy: -99.263 flat angles C4'-P-C4' energy: -92.776 flat angles P-C4'-P energy: -68.693 tors. eta vs tors. theta energy: -108.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1190.747325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.747325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.747325 (E_RNA) where: Base-Base interactions energy: -751.155 where: short stacking energy: -374.361 Base-Backbone interact. energy: -0.483 local terms energy: -439.109480 where: bonds (distance) C4'-P energy: -90.796 bonds (distance) P-C4' energy: -95.829 flat angles C4'-P-C4' energy: -95.960 flat angles P-C4'-P energy: -60.830 tors. eta vs tors. theta energy: -95.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -964.357374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.357374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.357374 (E_RNA) where: Base-Base interactions energy: -587.905 where: short stacking energy: -281.627 Base-Backbone interact. energy: -1.509 local terms energy: -374.943904 where: bonds (distance) C4'-P energy: -85.212 bonds (distance) P-C4' energy: -92.868 flat angles C4'-P-C4' energy: -71.932 flat angles P-C4'-P energy: -62.452 tors. eta vs tors. theta energy: -62.480 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: 8 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -928.422816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.422816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.422816 (E_RNA) where: Base-Base interactions energy: -565.748 where: short stacking energy: -259.248 Base-Backbone interact. energy: -2.410 local terms energy: -360.264469 where: bonds (distance) C4'-P energy: -82.470 bonds (distance) P-C4' energy: -88.340 flat angles C4'-P-C4' energy: -86.142 flat angles P-C4'-P energy: -60.611 tors. eta vs tors. theta energy: -42.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -871.433283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.433283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.433283 (E_RNA) where: Base-Base interactions energy: -498.613 where: short stacking energy: -241.519 Base-Backbone interact. energy: 2.279 local terms energy: -375.099293 where: bonds (distance) C4'-P energy: -89.641 bonds (distance) P-C4' energy: -82.849 flat angles C4'-P-C4' energy: -85.424 flat angles P-C4'-P energy: -60.992 tors. eta vs tors. theta energy: -56.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -706.417040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.417040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.417040 (E_RNA) where: Base-Base interactions energy: -378.827 where: short stacking energy: -214.067 Base-Backbone interact. energy: 1.451 local terms energy: -329.041039 where: bonds (distance) C4'-P energy: -97.600 bonds (distance) P-C4' energy: -81.765 flat angles C4'-P-C4' energy: -78.100 flat angles P-C4'-P energy: -39.882 tors. eta vs tors. theta energy: -31.693 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: 1 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -626.420118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.420118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.420118 (E_RNA) where: Base-Base interactions energy: -306.233 where: short stacking energy: -156.342 Base-Backbone interact. energy: -1.630 local terms energy: -318.557192 where: bonds (distance) C4'-P energy: -80.761 bonds (distance) P-C4' energy: -88.514 flat angles C4'-P-C4' energy: -88.897 flat angles P-C4'-P energy: -60.569 tors. eta vs tors. theta energy: 0.183 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: 116 Temperature: 1.350000 Total energy: -519.084075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.084075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.084075 (E_RNA) where: Base-Base interactions energy: -244.904 where: short stacking energy: -137.597 Base-Backbone interact. energy: -2.078 local terms energy: -272.102577 where: bonds (distance) C4'-P energy: -68.168 bonds (distance) P-C4' energy: -79.962 flat angles C4'-P-C4' energy: -74.302 flat angles P-C4'-P energy: -43.070 tors. eta vs tors. theta energy: -6.599 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: 1, replica: 10 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1467.228856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.228856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.228856 (E_RNA) where: Base-Base interactions energy: -981.607 where: short stacking energy: -422.007 Base-Backbone interact. energy: -6.593 local terms energy: -479.028919 where: bonds (distance) C4'-P energy: -90.183 bonds (distance) P-C4' energy: -98.683 flat angles C4'-P-C4' energy: -109.556 flat angles P-C4'-P energy: -73.058 tors. eta vs tors. theta energy: -107.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1389.993888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.993888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.993888 (E_RNA) where: Base-Base interactions energy: -915.473 where: short stacking energy: -420.414 Base-Backbone interact. energy: -0.727 local terms energy: -473.794254 where: bonds (distance) C4'-P energy: -91.059 bonds (distance) P-C4' energy: -91.023 flat angles C4'-P-C4' energy: -104.515 flat angles P-C4'-P energy: -75.715 tors. eta vs tors. theta energy: -111.482 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: 2 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1257.200792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.200792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.200792 (E_RNA) where: Base-Base interactions energy: -795.934 where: short stacking energy: -385.813 Base-Backbone interact. energy: 1.343 local terms energy: -462.610099 where: bonds (distance) C4'-P energy: -78.993 bonds (distance) P-C4' energy: -93.258 flat angles C4'-P-C4' energy: -98.852 flat angles P-C4'-P energy: -70.055 tors. eta vs tors. theta energy: -121.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1183.368035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.368035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.368035 (E_RNA) where: Base-Base interactions energy: -751.139 where: short stacking energy: -362.791 Base-Backbone interact. energy: 2.808 local terms energy: -435.036444 where: bonds (distance) C4'-P energy: -77.100 bonds (distance) P-C4' energy: -88.648 flat angles C4'-P-C4' energy: -104.979 flat angles P-C4'-P energy: -71.595 tors. eta vs tors. theta energy: -92.716 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: 117 Temperature: 1.100000 Total energy: -980.019943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.019943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.019943 (E_RNA) where: Base-Base interactions energy: -605.196 where: short stacking energy: -291.135 Base-Backbone interact. energy: 0.486 local terms energy: -375.310029 where: bonds (distance) C4'-P energy: -92.919 bonds (distance) P-C4' energy: -84.318 flat angles C4'-P-C4' energy: -88.344 flat angles P-C4'-P energy: -59.096 tors. eta vs tors. theta energy: -50.634 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: 4 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -922.410384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.410384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.410384 (E_RNA) where: Base-Base interactions energy: -539.474 where: short stacking energy: -265.516 Base-Backbone interact. energy: -1.533 local terms energy: -381.404288 where: bonds (distance) C4'-P energy: -94.523 bonds (distance) P-C4' energy: -87.968 flat angles C4'-P-C4' energy: -85.844 flat angles P-C4'-P energy: -47.419 tors. eta vs tors. theta energy: -65.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -831.682607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.682607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.682607 (E_RNA) where: Base-Base interactions energy: -496.473 where: short stacking energy: -255.240 Base-Backbone interact. energy: 1.333 local terms energy: -336.542018 where: bonds (distance) C4'-P energy: -80.099 bonds (distance) P-C4' energy: -88.595 flat angles C4'-P-C4' energy: -77.740 flat angles P-C4'-P energy: -48.050 tors. eta vs tors. theta energy: -42.058 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: 6 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -752.179028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.179028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.179028 (E_RNA) where: Base-Base interactions energy: -433.197 where: short stacking energy: -212.127 Base-Backbone interact. energy: 1.119 local terms energy: -320.101435 where: bonds (distance) C4'-P energy: -81.054 bonds (distance) P-C4' energy: -79.751 flat angles C4'-P-C4' energy: -84.168 flat angles P-C4'-P energy: -51.026 tors. eta vs tors. theta energy: -24.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -595.568883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.568883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.568883 (E_RNA) where: Base-Base interactions energy: -315.488 where: short stacking energy: -164.231 Base-Backbone interact. energy: 3.371 local terms energy: -283.451252 where: bonds (distance) C4'-P energy: -78.777 bonds (distance) P-C4' energy: -78.732 flat angles C4'-P-C4' energy: -74.102 flat angles P-C4'-P energy: -38.603 tors. eta vs tors. theta energy: -13.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -532.881791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.881791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.881791 (E_RNA) where: Base-Base interactions energy: -271.376 where: short stacking energy: -152.714 Base-Backbone interact. energy: 0.129 local terms energy: -261.635501 where: bonds (distance) C4'-P energy: -83.017 bonds (distance) P-C4' energy: -87.639 flat angles C4'-P-C4' energy: -82.375 flat angles P-C4'-P energy: -15.667 tors. eta vs tors. theta energy: 7.061 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: 10 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1469.633497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.633497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.633497 (E_RNA) where: Base-Base interactions energy: -953.136 where: short stacking energy: -434.989 Base-Backbone interact. energy: -4.760 local terms energy: -511.738206 where: bonds (distance) C4'-P energy: -104.534 bonds (distance) P-C4' energy: -93.346 flat angles C4'-P-C4' energy: -113.886 flat angles P-C4'-P energy: -76.049 tors. eta vs tors. theta energy: -123.923 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: 5 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1376.172379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.172379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.172379 (E_RNA) where: Base-Base interactions energy: -897.424 where: short stacking energy: -448.419 Base-Backbone interact. energy: -2.503 local terms energy: -476.245117 where: bonds (distance) C4'-P energy: -93.557 bonds (distance) P-C4' energy: -98.062 flat angles C4'-P-C4' energy: -95.126 flat angles P-C4'-P energy: -69.113 tors. eta vs tors. theta energy: -120.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1265.640446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.640446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.640446 (E_RNA) where: Base-Base interactions energy: -793.164 where: short stacking energy: -380.517 Base-Backbone interact. energy: -2.774 local terms energy: -469.702236 where: bonds (distance) C4'-P energy: -96.407 bonds (distance) P-C4' energy: -95.303 flat angles C4'-P-C4' energy: -106.025 flat angles P-C4'-P energy: -62.418 tors. eta vs tors. theta energy: -109.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1225.684470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.684470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.684470 (E_RNA) where: Base-Base interactions energy: -784.638 where: short stacking energy: -371.211 Base-Backbone interact. energy: -0.431 local terms energy: -440.614992 where: bonds (distance) C4'-P energy: -90.010 bonds (distance) P-C4' energy: -97.036 flat angles C4'-P-C4' energy: -88.090 flat angles P-C4'-P energy: -61.026 tors. eta vs tors. theta energy: -104.453 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: 9 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -985.172308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.172308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.172308 (E_RNA) where: Base-Base interactions energy: -594.940 where: short stacking energy: -275.808 Base-Backbone interact. energy: -1.411 local terms energy: -388.822029 where: bonds (distance) C4'-P energy: -90.175 bonds (distance) P-C4' energy: -99.207 flat angles C4'-P-C4' energy: -94.785 flat angles P-C4'-P energy: -57.743 tors. eta vs tors. theta energy: -46.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -975.626835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.626835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.626835 (E_RNA) where: Base-Base interactions energy: -605.359 where: short stacking energy: -292.028 Base-Backbone interact. energy: 0.934 local terms energy: -371.202072 where: bonds (distance) C4'-P energy: -90.872 bonds (distance) P-C4' energy: -80.360 flat angles C4'-P-C4' energy: -78.169 flat angles P-C4'-P energy: -54.013 tors. eta vs tors. theta energy: -67.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -804.744979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.744979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.744979 (E_RNA) where: Base-Base interactions energy: -477.989 where: short stacking energy: -238.323 Base-Backbone interact. energy: -2.061 local terms energy: -324.694718 where: bonds (distance) C4'-P energy: -83.110 bonds (distance) P-C4' energy: -77.738 flat angles C4'-P-C4' energy: -79.423 flat angles P-C4'-P energy: -52.758 tors. eta vs tors. theta energy: -31.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -710.624647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.624647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.624647 (E_RNA) where: Base-Base interactions energy: -409.407 where: short stacking energy: -203.917 Base-Backbone interact. energy: -0.359 local terms energy: -300.858919 where: bonds (distance) C4'-P energy: -76.240 bonds (distance) P-C4' energy: -78.393 flat angles C4'-P-C4' energy: -73.267 flat angles P-C4'-P energy: -48.659 tors. eta vs tors. theta energy: -24.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -572.252952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.252952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.252952 (E_RNA) where: Base-Base interactions energy: -294.150 where: short stacking energy: -178.143 Base-Backbone interact. energy: 2.542 local terms energy: -280.645596 where: bonds (distance) C4'-P energy: -70.543 bonds (distance) P-C4' energy: -89.032 flat angles C4'-P-C4' energy: -69.040 flat angles P-C4'-P energy: -40.515 tors. eta vs tors. theta energy: -11.514 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: 7 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -489.724714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.724714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.724714 (E_RNA) where: Base-Base interactions energy: -226.420 where: short stacking energy: -144.100 Base-Backbone interact. energy: -2.121 local terms energy: -261.183561 where: bonds (distance) C4'-P energy: -76.353 bonds (distance) P-C4' energy: -81.361 flat angles C4'-P-C4' energy: -55.389 flat angles P-C4'-P energy: -42.904 tors. eta vs tors. theta energy: -5.177 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: 1, replica: 10 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1470.678775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.678775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.678775 (E_RNA) where: Base-Base interactions energy: -975.094 where: short stacking energy: -428.887 Base-Backbone interact. energy: -2.322 local terms energy: -493.263239 where: bonds (distance) C4'-P energy: -97.251 bonds (distance) P-C4' energy: -96.361 flat angles C4'-P-C4' energy: -106.955 flat angles P-C4'-P energy: -71.199 tors. eta vs tors. theta energy: -121.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1384.198376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.198376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.198376 (E_RNA) where: Base-Base interactions energy: -889.498 where: short stacking energy: -420.376 Base-Backbone interact. energy: -1.899 local terms energy: -492.801632 where: bonds (distance) C4'-P energy: -105.928 bonds (distance) P-C4' energy: -92.989 flat angles C4'-P-C4' energy: -103.603 flat angles P-C4'-P energy: -71.600 tors. eta vs tors. theta energy: -118.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1254.886347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.886347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.886347 (E_RNA) where: Base-Base interactions energy: -790.630 where: short stacking energy: -396.692 Base-Backbone interact. energy: -1.004 local terms energy: -463.251683 where: bonds (distance) C4'-P energy: -94.442 bonds (distance) P-C4' energy: -98.546 flat angles C4'-P-C4' energy: -97.641 flat angles P-C4'-P energy: -58.989 tors. eta vs tors. theta energy: -113.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1217.757698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.757698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.757698 (E_RNA) where: Base-Base interactions energy: -798.167 where: short stacking energy: -381.189 Base-Backbone interact. energy: -2.777 local terms energy: -416.813146 where: bonds (distance) C4'-P energy: -81.890 bonds (distance) P-C4' energy: -82.793 flat angles C4'-P-C4' energy: -86.308 flat angles P-C4'-P energy: -66.720 tors. eta vs tors. theta energy: -99.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -982.354769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.354769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.354769 (E_RNA) where: Base-Base interactions energy: -603.706 where: short stacking energy: -299.340 Base-Backbone interact. energy: -1.342 local terms energy: -377.307553 where: bonds (distance) C4'-P energy: -87.877 bonds (distance) P-C4' energy: -92.266 flat angles C4'-P-C4' energy: -89.895 flat angles P-C4'-P energy: -53.441 tors. eta vs tors. theta energy: -53.829 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: 4 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -926.879398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.879398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.879398 (E_RNA) where: Base-Base interactions energy: -536.154 where: short stacking energy: -273.554 Base-Backbone interact. energy: -2.110 local terms energy: -388.615260 where: bonds (distance) C4'-P energy: -87.478 bonds (distance) P-C4' energy: -95.202 flat angles C4'-P-C4' energy: -94.534 flat angles P-C4'-P energy: -48.806 tors. eta vs tors. theta energy: -62.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -841.171295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.171295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.171295 (E_RNA) where: Base-Base interactions energy: -475.831 where: short stacking energy: -247.630 Base-Backbone interact. energy: 0.490 local terms energy: -365.829512 where: bonds (distance) C4'-P energy: -78.797 bonds (distance) P-C4' energy: -103.055 flat angles C4'-P-C4' energy: -75.538 flat angles P-C4'-P energy: -49.950 tors. eta vs tors. theta energy: -58.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -727.981888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.981888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.981888 (E_RNA) where: Base-Base interactions energy: -409.127 where: short stacking energy: -210.060 Base-Backbone interact. energy: 0.525 local terms energy: -319.380206 where: bonds (distance) C4'-P energy: -68.602 bonds (distance) P-C4' energy: -91.247 flat angles C4'-P-C4' energy: -64.445 flat angles P-C4'-P energy: -55.521 tors. eta vs tors. theta energy: -39.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -591.659575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.659575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.659575 (E_RNA) where: Base-Base interactions energy: -312.116 where: short stacking energy: -155.507 Base-Backbone interact. energy: 3.926 local terms energy: -283.469430 where: bonds (distance) C4'-P energy: -77.202 bonds (distance) P-C4' energy: -92.593 flat angles C4'-P-C4' energy: -76.035 flat angles P-C4'-P energy: -29.115 tors. eta vs tors. theta energy: -8.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -482.565999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.565999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.565999 (E_RNA) where: Base-Base interactions energy: -233.823 where: short stacking energy: -123.463 Base-Backbone interact. energy: 2.088 local terms energy: -250.831227 where: bonds (distance) C4'-P energy: -74.735 bonds (distance) P-C4' energy: -74.549 flat angles C4'-P-C4' energy: -63.954 flat angles P-C4'-P energy: -41.867 tors. eta vs tors. theta energy: 4.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1446.642258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.642258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.642258 (E_RNA) where: Base-Base interactions energy: -951.789 where: short stacking energy: -441.191 Base-Backbone interact. energy: 0.628 local terms energy: -495.481839 where: bonds (distance) C4'-P energy: -88.920 bonds (distance) P-C4' energy: -100.720 flat angles C4'-P-C4' energy: -112.170 flat angles P-C4'-P energy: -70.336 tors. eta vs tors. theta energy: -123.335 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: 2, replica: 5 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1382.701973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.701973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.701973 (E_RNA) where: Base-Base interactions energy: -902.855 where: short stacking energy: -424.607 Base-Backbone interact. energy: -0.159 local terms energy: -479.687920 where: bonds (distance) C4'-P energy: -102.542 bonds (distance) P-C4' energy: -83.802 flat angles C4'-P-C4' energy: -103.486 flat angles P-C4'-P energy: -66.973 tors. eta vs tors. theta energy: -122.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1276.587481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.587481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.587481 (E_RNA) where: Base-Base interactions energy: -836.086 where: short stacking energy: -379.242 Base-Backbone interact. energy: 0.745 local terms energy: -441.246290 where: bonds (distance) C4'-P energy: -87.778 bonds (distance) P-C4' energy: -77.304 flat angles C4'-P-C4' energy: -107.566 flat angles P-C4'-P energy: -59.673 tors. eta vs tors. theta energy: -108.925 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: 3 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1177.937353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.937353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.937353 (E_RNA) where: Base-Base interactions energy: -753.615 where: short stacking energy: -345.365 Base-Backbone interact. energy: 0.229 local terms energy: -424.550788 where: bonds (distance) C4'-P energy: -87.958 bonds (distance) P-C4' energy: -94.467 flat angles C4'-P-C4' energy: -78.163 flat angles P-C4'-P energy: -70.211 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: 5, replica: 9 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -995.933786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.933786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.933786 (E_RNA) where: Base-Base interactions energy: -611.743 where: short stacking energy: -303.545 Base-Backbone interact. energy: 0.701 local terms energy: -384.892299 where: bonds (distance) C4'-P energy: -77.826 bonds (distance) P-C4' energy: -85.405 flat angles C4'-P-C4' energy: -99.075 flat angles P-C4'-P energy: -51.073 tors. eta vs tors. theta energy: -71.513 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: 4 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -911.114878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.114878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.114878 (E_RNA) where: Base-Base interactions energy: -552.505 where: short stacking energy: -265.177 Base-Backbone interact. energy: -2.287 local terms energy: -356.323461 where: bonds (distance) C4'-P energy: -82.250 bonds (distance) P-C4' energy: -83.774 flat angles C4'-P-C4' energy: -85.410 flat angles P-C4'-P energy: -55.932 tors. eta vs tors. theta energy: -48.957 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: 8 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -784.190304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.190304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.190304 (E_RNA) where: Base-Base interactions energy: -451.679 where: short stacking energy: -213.619 Base-Backbone interact. energy: -2.550 local terms energy: -329.961037 where: bonds (distance) C4'-P energy: -80.170 bonds (distance) P-C4' energy: -74.605 flat angles C4'-P-C4' energy: -100.377 flat angles P-C4'-P energy: -44.940 tors. eta vs tors. theta energy: -29.868 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: 6 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -745.663849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.663849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.663849 (E_RNA) where: Base-Base interactions energy: -400.982 where: short stacking energy: -208.778 Base-Backbone interact. energy: 0.434 local terms energy: -345.115831 where: bonds (distance) C4'-P energy: -85.833 bonds (distance) P-C4' energy: -90.200 flat angles C4'-P-C4' energy: -79.517 flat angles P-C4'-P energy: -47.344 tors. eta vs tors. theta energy: -42.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -589.833087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.833087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.833087 (E_RNA) where: Base-Base interactions energy: -312.881 where: short stacking energy: -161.072 Base-Backbone interact. energy: -1.644 local terms energy: -275.308469 where: bonds (distance) C4'-P energy: -84.587 bonds (distance) P-C4' energy: -81.507 flat angles C4'-P-C4' energy: -57.145 flat angles P-C4'-P energy: -47.547 tors. eta vs tors. theta energy: -4.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -503.742052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.742052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.742052 (E_RNA) where: Base-Base interactions energy: -241.023 where: short stacking energy: -141.527 Base-Backbone interact. energy: 6.088 local terms energy: -268.806199 where: bonds (distance) C4'-P energy: -78.403 bonds (distance) P-C4' energy: -74.184 flat angles C4'-P-C4' energy: -68.994 flat angles P-C4'-P energy: -26.515 tors. eta vs tors. theta energy: -20.711 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: 10 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1433.389148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.389148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.389148 (E_RNA) where: Base-Base interactions energy: -969.005 where: short stacking energy: -415.912 Base-Backbone interact. energy: -2.429 local terms energy: -461.955024 where: bonds (distance) C4'-P energy: -89.733 bonds (distance) P-C4' energy: -88.592 flat angles C4'-P-C4' energy: -100.573 flat angles P-C4'-P energy: -74.198 tors. eta vs tors. theta energy: -108.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1389.190247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.190247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.190247 (E_RNA) where: Base-Base interactions energy: -895.376 where: short stacking energy: -429.426 Base-Backbone interact. energy: -2.921 local terms energy: -490.894011 where: bonds (distance) C4'-P energy: -89.678 bonds (distance) P-C4' energy: -100.500 flat angles C4'-P-C4' energy: -113.284 flat angles P-C4'-P energy: -59.807 tors. eta vs tors. theta energy: -127.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1241.099705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.099705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.099705 (E_RNA) where: Base-Base interactions energy: -796.234 where: short stacking energy: -389.521 Base-Backbone interact. energy: 1.166 local terms energy: -446.031678 where: bonds (distance) C4'-P energy: -94.579 bonds (distance) P-C4' energy: -82.000 flat angles C4'-P-C4' energy: -96.458 flat angles P-C4'-P energy: -65.381 tors. eta vs tors. theta energy: -107.614 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: 3 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1204.495739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.495739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.495739 (E_RNA) where: Base-Base interactions energy: -777.182 where: short stacking energy: -361.966 Base-Backbone interact. energy: -1.657 local terms energy: -425.656781 where: bonds (distance) C4'-P energy: -74.949 bonds (distance) P-C4' energy: -96.242 flat angles C4'-P-C4' energy: -99.120 flat angles P-C4'-P energy: -61.184 tors. eta vs tors. theta energy: -94.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1027.826131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.826131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.826131 (E_RNA) where: Base-Base interactions energy: -658.672 where: short stacking energy: -329.269 Base-Backbone interact. energy: -1.134 local terms energy: -368.019257 where: bonds (distance) C4'-P energy: -77.927 bonds (distance) P-C4' energy: -82.626 flat angles C4'-P-C4' energy: -77.784 flat angles P-C4'-P energy: -40.884 tors. eta vs tors. theta energy: -88.798 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: 4 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -904.371469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.371469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.371469 (E_RNA) where: Base-Base interactions energy: -549.209 where: short stacking energy: -265.074 Base-Backbone interact. energy: -1.753 local terms energy: -353.409380 where: bonds (distance) C4'-P energy: -76.775 bonds (distance) P-C4' energy: -91.596 flat angles C4'-P-C4' energy: -81.308 flat angles P-C4'-P energy: -37.101 tors. eta vs tors. theta energy: -66.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -792.984134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.984134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.984134 (E_RNA) where: Base-Base interactions energy: -476.013 where: short stacking energy: -217.604 Base-Backbone interact. energy: -1.615 local terms energy: -315.356223 where: bonds (distance) C4'-P energy: -84.186 bonds (distance) P-C4' energy: -86.336 flat angles C4'-P-C4' energy: -72.250 flat angles P-C4'-P energy: -41.037 tors. eta vs tors. theta energy: -31.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -766.240660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.240660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.240660 (E_RNA) where: Base-Base interactions energy: -445.726 where: short stacking energy: -232.288 Base-Backbone interact. energy: 3.388 local terms energy: -323.902831 where: bonds (distance) C4'-P energy: -82.829 bonds (distance) P-C4' energy: -74.755 flat angles C4'-P-C4' energy: -87.344 flat angles P-C4'-P energy: -45.632 tors. eta vs tors. theta energy: -33.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -593.356163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.356163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.356163 (E_RNA) where: Base-Base interactions energy: -278.304 where: short stacking energy: -165.388 Base-Backbone interact. energy: -0.599 local terms energy: -314.453000 where: bonds (distance) C4'-P energy: -76.187 bonds (distance) P-C4' energy: -101.555 flat angles C4'-P-C4' energy: -67.358 flat angles P-C4'-P energy: -50.173 tors. eta vs tors. theta energy: -19.179 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: 121 Temperature: 1.350000 Total energy: -511.162586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.162586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.162586 (E_RNA) where: Base-Base interactions energy: -253.846 where: short stacking energy: -169.234 Base-Backbone interact. energy: -1.768 local terms energy: -255.548644 where: bonds (distance) C4'-P energy: -67.877 bonds (distance) P-C4' energy: -88.089 flat angles C4'-P-C4' energy: -65.491 flat angles P-C4'-P energy: -34.336 tors. eta vs tors. theta energy: 0.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1427.926771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.926771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.926771 (E_RNA) where: Base-Base interactions energy: -929.440 where: short stacking energy: -415.282 Base-Backbone interact. energy: -6.043 local terms energy: -492.444149 where: bonds (distance) C4'-P energy: -92.914 bonds (distance) P-C4' energy: -102.279 flat angles C4'-P-C4' energy: -106.297 flat angles P-C4'-P energy: -78.676 tors. eta vs tors. theta energy: -112.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1348.211706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.211706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.211706 (E_RNA) where: Base-Base interactions energy: -904.558 where: short stacking energy: -406.538 Base-Backbone interact. energy: -2.100 local terms energy: -441.553626 where: bonds (distance) C4'-P energy: -87.424 bonds (distance) P-C4' energy: -84.938 flat angles C4'-P-C4' energy: -85.544 flat angles P-C4'-P energy: -76.922 tors. eta vs tors. theta energy: -106.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1278.576035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.576035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.576035 (E_RNA) where: Base-Base interactions energy: -811.454 where: short stacking energy: -421.068 Base-Backbone interact. energy: -2.056 local terms energy: -465.066499 where: bonds (distance) C4'-P energy: -79.919 bonds (distance) P-C4' energy: -92.357 flat angles C4'-P-C4' energy: -109.603 flat angles P-C4'-P energy: -69.380 tors. eta vs tors. theta energy: -113.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1192.394736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.394736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.394736 (E_RNA) where: Base-Base interactions energy: -769.278 where: short stacking energy: -357.085 Base-Backbone interact. energy: -0.572 local terms energy: -422.545279 where: bonds (distance) C4'-P energy: -86.171 bonds (distance) P-C4' energy: -82.382 flat angles C4'-P-C4' energy: -89.340 flat angles P-C4'-P energy: -62.193 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: 9 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1035.081034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.081034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.081034 (E_RNA) where: Base-Base interactions energy: -640.027 where: short stacking energy: -298.672 Base-Backbone interact. energy: -2.739 local terms energy: -392.314838 where: bonds (distance) C4'-P energy: -74.709 bonds (distance) P-C4' energy: -84.007 flat angles C4'-P-C4' energy: -96.912 flat angles P-C4'-P energy: -66.287 tors. eta vs tors. theta energy: -70.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -878.648422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.648422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.648422 (E_RNA) where: Base-Base interactions energy: -498.591 where: short stacking energy: -224.036 Base-Backbone interact. energy: -1.078 local terms energy: -378.979444 where: bonds (distance) C4'-P energy: -69.435 bonds (distance) P-C4' energy: -100.005 flat angles C4'-P-C4' energy: -95.426 flat angles P-C4'-P energy: -70.748 tors. eta vs tors. theta energy: -43.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -828.440576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.440576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.440576 (E_RNA) where: Base-Base interactions energy: -477.075 where: short stacking energy: -252.807 Base-Backbone interact. energy: -3.484 local terms energy: -347.882122 where: bonds (distance) C4'-P energy: -82.712 bonds (distance) P-C4' energy: -69.505 flat angles C4'-P-C4' energy: -77.832 flat angles P-C4'-P energy: -63.050 tors. eta vs tors. theta energy: -54.783 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: 8 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -770.128370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.128370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.128370 (E_RNA) where: Base-Base interactions energy: -466.615 where: short stacking energy: -229.075 Base-Backbone interact. energy: 3.784 local terms energy: -307.297717 where: bonds (distance) C4'-P energy: -86.618 bonds (distance) P-C4' energy: -85.059 flat angles C4'-P-C4' energy: -74.097 flat angles P-C4'-P energy: -34.661 tors. eta vs tors. theta energy: -26.862 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: 1 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -616.023404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.023404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.023404 (E_RNA) where: Base-Base interactions energy: -314.404 where: short stacking energy: -182.031 Base-Backbone interact. energy: 2.985 local terms energy: -304.604253 where: bonds (distance) C4'-P energy: -60.061 bonds (distance) P-C4' energy: -85.675 flat angles C4'-P-C4' energy: -70.168 flat angles P-C4'-P energy: -51.379 tors. eta vs tors. theta energy: -37.321 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: 7 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -499.735208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.735208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.735208 (E_RNA) where: Base-Base interactions energy: -228.271 where: short stacking energy: -134.028 Base-Backbone interact. energy: -0.210 local terms energy: -271.255042 where: bonds (distance) C4'-P energy: -81.747 bonds (distance) P-C4' energy: -95.979 flat angles C4'-P-C4' energy: -48.535 flat angles P-C4'-P energy: -49.230 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: 10 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1451.061307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.061307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.061307 (E_RNA) where: Base-Base interactions energy: -971.344 where: short stacking energy: -428.445 Base-Backbone interact. energy: 1.179 local terms energy: -480.896386 where: bonds (distance) C4'-P energy: -80.124 bonds (distance) P-C4' energy: -102.975 flat angles C4'-P-C4' energy: -109.144 flat angles P-C4'-P energy: -73.348 tors. eta vs tors. theta energy: -115.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1366.986613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.986613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.986613 (E_RNA) where: Base-Base interactions energy: -893.518 where: short stacking energy: -420.439 Base-Backbone interact. energy: -0.469 local terms energy: -472.999185 where: bonds (distance) C4'-P energy: -91.512 bonds (distance) P-C4' energy: -92.310 flat angles C4'-P-C4' energy: -110.549 flat angles P-C4'-P energy: -63.431 tors. eta vs tors. theta energy: -115.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1268.530339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.530339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.530339 (E_RNA) where: Base-Base interactions energy: -800.846 where: short stacking energy: -406.692 Base-Backbone interact. energy: 0.023 local terms energy: -467.707676 where: bonds (distance) C4'-P energy: -98.338 bonds (distance) P-C4' energy: -101.608 flat angles C4'-P-C4' energy: -98.681 flat angles P-C4'-P energy: -65.156 tors. eta vs tors. theta energy: -103.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1173.200612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.200612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.200612 (E_RNA) where: Base-Base interactions energy: -730.957 where: short stacking energy: -339.073 Base-Backbone interact. energy: -2.691 local terms energy: -439.552323 where: bonds (distance) C4'-P energy: -73.984 bonds (distance) P-C4' energy: -99.753 flat angles C4'-P-C4' energy: -95.141 flat angles P-C4'-P energy: -74.522 tors. eta vs tors. theta energy: -96.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1016.439299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.439299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.439299 (E_RNA) where: Base-Base interactions energy: -638.672 where: short stacking energy: -305.969 Base-Backbone interact. energy: -0.424 local terms energy: -377.343086 where: bonds (distance) C4'-P energy: -77.124 bonds (distance) P-C4' energy: -81.670 flat angles C4'-P-C4' energy: -87.362 flat angles P-C4'-P energy: -62.448 tors. eta vs tors. theta energy: -68.739 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: 4 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -922.454909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.454909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.454909 (E_RNA) where: Base-Base interactions energy: -565.701 where: short stacking energy: -265.466 Base-Backbone interact. energy: -0.483 local terms energy: -356.270982 where: bonds (distance) C4'-P energy: -85.165 bonds (distance) P-C4' energy: -76.507 flat angles C4'-P-C4' energy: -80.910 flat angles P-C4'-P energy: -48.601 tors. eta vs tors. theta energy: -65.088 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: 6 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -796.553139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.553139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.553139 (E_RNA) where: Base-Base interactions energy: -472.764 where: short stacking energy: -233.018 Base-Backbone interact. energy: 2.110 local terms energy: -325.899837 where: bonds (distance) C4'-P energy: -87.811 bonds (distance) P-C4' energy: -81.735 flat angles C4'-P-C4' energy: -73.162 flat angles P-C4'-P energy: -33.300 tors. eta vs tors. theta energy: -49.891 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: 8 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -745.126921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.126921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.126921 (E_RNA) where: Base-Base interactions energy: -440.362 where: short stacking energy: -213.794 Base-Backbone interact. energy: -2.971 local terms energy: -301.793785 where: bonds (distance) C4'-P energy: -85.437 bonds (distance) P-C4' energy: -72.448 flat angles C4'-P-C4' energy: -82.040 flat angles P-C4'-P energy: -38.067 tors. eta vs tors. theta energy: -23.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -576.449593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.449593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.449593 (E_RNA) where: Base-Base interactions energy: -305.242 where: short stacking energy: -170.465 Base-Backbone interact. energy: -2.682 local terms energy: -268.525683 where: bonds (distance) C4'-P energy: -65.216 bonds (distance) P-C4' energy: -106.245 flat angles C4'-P-C4' energy: -65.948 flat angles P-C4'-P energy: -42.810 tors. eta vs tors. theta energy: 11.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -480.180930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.180930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.180930 (E_RNA) where: Base-Base interactions energy: -214.624 where: short stacking energy: -128.243 Base-Backbone interact. energy: 4.598 local terms energy: -270.155430 where: bonds (distance) C4'-P energy: -87.289 bonds (distance) P-C4' energy: -79.751 flat angles C4'-P-C4' energy: -72.377 flat angles P-C4'-P energy: -45.712 tors. eta vs tors. theta energy: 14.973 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: 10 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1463.102859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.102859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.102859 (E_RNA) where: Base-Base interactions energy: -981.078 where: short stacking energy: -438.655 Base-Backbone interact. energy: -6.098 local terms energy: -475.926438 where: bonds (distance) C4'-P energy: -94.363 bonds (distance) P-C4' energy: -97.883 flat angles C4'-P-C4' energy: -99.582 flat angles P-C4'-P energy: -66.532 tors. eta vs tors. theta energy: -117.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1349.187322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.187322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.187322 (E_RNA) where: Base-Base interactions energy: -861.318 where: short stacking energy: -385.618 Base-Backbone interact. energy: -2.112 local terms energy: -485.757236 where: bonds (distance) C4'-P energy: -101.640 bonds (distance) P-C4' energy: -89.688 flat angles C4'-P-C4' energy: -102.083 flat angles P-C4'-P energy: -71.049 tors. eta vs tors. theta energy: -121.297 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: 3 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1215.520171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.520171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.520171 (E_RNA) where: Base-Base interactions energy: -771.048 where: short stacking energy: -370.129 Base-Backbone interact. energy: -0.572 local terms energy: -443.900754 where: bonds (distance) C4'-P energy: -85.899 bonds (distance) P-C4' energy: -92.228 flat angles C4'-P-C4' energy: -97.915 flat angles P-C4'-P energy: -62.873 tors. eta vs tors. theta energy: -104.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1191.721477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.721477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.721477 (E_RNA) where: Base-Base interactions energy: -783.207 where: short stacking energy: -362.270 Base-Backbone interact. energy: -0.914 local terms energy: -407.601209 where: bonds (distance) C4'-P energy: -81.734 bonds (distance) P-C4' energy: -76.019 flat angles C4'-P-C4' energy: -87.883 flat angles P-C4'-P energy: -70.855 tors. eta vs tors. theta energy: -91.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -999.657527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.657527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.657527 (E_RNA) where: Base-Base interactions energy: -609.395 where: short stacking energy: -281.170 Base-Backbone interact. energy: -1.491 local terms energy: -388.771776 where: bonds (distance) C4'-P energy: -93.910 bonds (distance) P-C4' energy: -87.152 flat angles C4'-P-C4' energy: -89.712 flat angles P-C4'-P energy: -62.080 tors. eta vs tors. theta energy: -55.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -931.990265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.990265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.990265 (E_RNA) where: Base-Base interactions energy: -567.002 where: short stacking energy: -279.153 Base-Backbone interact. energy: -2.348 local terms energy: -362.640867 where: bonds (distance) C4'-P energy: -80.178 bonds (distance) P-C4' energy: -88.419 flat angles C4'-P-C4' energy: -88.457 flat angles P-C4'-P energy: -41.972 tors. eta vs tors. theta energy: -63.615 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: 124 Temperature: 1.200000 Total energy: -782.830011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.830011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.830011 (E_RNA) where: Base-Base interactions energy: -464.611 where: short stacking energy: -239.811 Base-Backbone interact. energy: 1.281 local terms energy: -319.499486 where: bonds (distance) C4'-P energy: -77.822 bonds (distance) P-C4' energy: -80.520 flat angles C4'-P-C4' energy: -81.368 flat angles P-C4'-P energy: -47.270 tors. eta vs tors. theta energy: -32.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -729.037730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.037730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.037730 (E_RNA) where: Base-Base interactions energy: -395.139 where: short stacking energy: -195.421 Base-Backbone interact. energy: -1.411 local terms energy: -332.487544 where: bonds (distance) C4'-P energy: -87.562 bonds (distance) P-C4' energy: -90.424 flat angles C4'-P-C4' energy: -75.358 flat angles P-C4'-P energy: -51.431 tors. eta vs tors. theta energy: -27.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -632.446889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.446889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.446889 (E_RNA) where: Base-Base interactions energy: -368.396 where: short stacking energy: -180.536 Base-Backbone interact. energy: -3.417 local terms energy: -260.633348 where: bonds (distance) C4'-P energy: -72.656 bonds (distance) P-C4' energy: -76.607 flat angles C4'-P-C4' energy: -69.749 flat angles P-C4'-P energy: -38.691 tors. eta vs tors. theta energy: -2.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -512.990570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.990570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.990570 (E_RNA) where: Base-Base interactions energy: -232.547 where: short stacking energy: -136.239 Base-Backbone interact. energy: -0.954 local terms energy: -279.489358 where: bonds (distance) C4'-P energy: -75.489 bonds (distance) P-C4' energy: -78.470 flat angles C4'-P-C4' energy: -67.251 flat angles P-C4'-P energy: -45.639 tors. eta vs tors. theta energy: -12.640 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: 10 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1447.716117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.716117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.716117 (E_RNA) where: Base-Base interactions energy: -979.020 where: short stacking energy: -414.870 Base-Backbone interact. energy: -0.419 local terms energy: -468.277173 where: bonds (distance) C4'-P energy: -92.896 bonds (distance) P-C4' energy: -95.038 flat angles C4'-P-C4' energy: -96.580 flat angles P-C4'-P energy: -71.522 tors. eta vs tors. theta energy: -112.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1362.552051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.552051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.552051 (E_RNA) where: Base-Base interactions energy: -892.589 where: short stacking energy: -426.203 Base-Backbone interact. energy: -1.601 local terms energy: -468.362798 where: bonds (distance) C4'-P energy: -91.421 bonds (distance) P-C4' energy: -88.122 flat angles C4'-P-C4' energy: -102.571 flat angles P-C4'-P energy: -68.109 tors. eta vs tors. theta energy: -118.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1273.522156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.522156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.522156 (E_RNA) where: Base-Base interactions energy: -818.866 where: short stacking energy: -405.995 Base-Backbone interact. energy: -0.547 local terms energy: -454.108758 where: bonds (distance) C4'-P energy: -94.515 bonds (distance) P-C4' energy: -81.195 flat angles C4'-P-C4' energy: -105.419 flat angles P-C4'-P energy: -60.774 tors. eta vs tors. theta energy: -112.205 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: 125 Temperature: 1.050000 Total energy: -1193.537652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.537652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.537652 (E_RNA) where: Base-Base interactions energy: -755.046 where: short stacking energy: -343.375 Base-Backbone interact. energy: -1.876 local terms energy: -436.615255 where: bonds (distance) C4'-P energy: -82.911 bonds (distance) P-C4' energy: -97.781 flat angles C4'-P-C4' energy: -109.461 flat angles P-C4'-P energy: -60.800 tors. eta vs tors. theta energy: -85.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1046.460748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.460748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.460748 (E_RNA) where: Base-Base interactions energy: -661.551 where: short stacking energy: -317.798 Base-Backbone interact. energy: 0.635 local terms energy: -385.544868 where: bonds (distance) C4'-P energy: -75.084 bonds (distance) P-C4' energy: -90.144 flat angles C4'-P-C4' energy: -84.379 flat angles P-C4'-P energy: -56.376 tors. eta vs tors. theta energy: -79.562 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: 4 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -898.566088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.566088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.566088 (E_RNA) where: Base-Base interactions energy: -508.765 where: short stacking energy: -253.552 Base-Backbone interact. energy: -1.114 local terms energy: -388.687508 where: bonds (distance) C4'-P energy: -93.178 bonds (distance) P-C4' energy: -90.564 flat angles C4'-P-C4' energy: -94.966 flat angles P-C4'-P energy: -63.630 tors. eta vs tors. theta energy: -46.351 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: 7, replica: 6 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -768.433502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.433502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.433502 (E_RNA) where: Base-Base interactions energy: -446.905 where: short stacking energy: -226.469 Base-Backbone interact. energy: -3.835 local terms energy: -317.693113 where: bonds (distance) C4'-P energy: -65.068 bonds (distance) P-C4' energy: -73.310 flat angles C4'-P-C4' energy: -84.572 flat angles P-C4'-P energy: -45.283 tors. eta vs tors. theta energy: -49.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -704.770077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.770077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.770077 (E_RNA) where: Base-Base interactions energy: -401.401 where: short stacking energy: -214.191 Base-Backbone interact. energy: -0.607 local terms energy: -302.762188 where: bonds (distance) C4'-P energy: -59.437 bonds (distance) P-C4' energy: -98.713 flat angles C4'-P-C4' energy: -78.194 flat angles P-C4'-P energy: -41.177 tors. eta vs tors. theta energy: -25.242 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: 1 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -638.575979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.575979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.575979 (E_RNA) where: Base-Base interactions energy: -353.805 where: short stacking energy: -174.539 Base-Backbone interact. energy: 0.799 local terms energy: -285.569594 where: bonds (distance) C4'-P energy: -79.584 bonds (distance) P-C4' energy: -71.217 flat angles C4'-P-C4' energy: -73.257 flat angles P-C4'-P energy: -53.590 tors. eta vs tors. theta energy: -7.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -480.669854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.669854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.669854 (E_RNA) where: Base-Base interactions energy: -204.359 where: short stacking energy: -128.977 Base-Backbone interact. energy: 2.163 local terms energy: -278.473529 where: bonds (distance) C4'-P energy: -89.178 bonds (distance) P-C4' energy: -73.741 flat angles C4'-P-C4' energy: -59.534 flat angles P-C4'-P energy: -54.210 tors. eta vs tors. theta energy: -1.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1410.518794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.518794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.518794 (E_RNA) where: Base-Base interactions energy: -928.031 where: short stacking energy: -422.195 Base-Backbone interact. energy: -1.924 local terms energy: -480.563418 where: bonds (distance) C4'-P energy: -82.994 bonds (distance) P-C4' energy: -106.168 flat angles C4'-P-C4' energy: -101.655 flat angles P-C4'-P energy: -68.382 tors. eta vs tors. theta energy: -121.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1409.232019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.232019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.232019 (E_RNA) where: Base-Base interactions energy: -942.020 where: short stacking energy: -400.706 Base-Backbone interact. energy: -3.519 local terms energy: -463.693204 where: bonds (distance) C4'-P energy: -94.927 bonds (distance) P-C4' energy: -93.311 flat angles C4'-P-C4' energy: -107.912 flat angles P-C4'-P energy: -54.567 tors. eta vs tors. theta energy: -112.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1252.879248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.879248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.879248 (E_RNA) where: Base-Base interactions energy: -796.101 where: short stacking energy: -419.785 Base-Backbone interact. energy: 0.084 local terms energy: -456.861540 where: bonds (distance) C4'-P energy: -85.443 bonds (distance) P-C4' energy: -88.265 flat angles C4'-P-C4' energy: -95.542 flat angles P-C4'-P energy: -67.080 tors. eta vs tors. theta energy: -120.533 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: 2 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1206.025696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.025696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.025696 (E_RNA) where: Base-Base interactions energy: -773.719 where: short stacking energy: -366.113 Base-Backbone interact. energy: -1.429 local terms energy: -430.877908 where: bonds (distance) C4'-P energy: -84.611 bonds (distance) P-C4' energy: -82.145 flat angles C4'-P-C4' energy: -101.835 flat angles P-C4'-P energy: -59.375 tors. eta vs tors. theta energy: -102.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1062.501912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.501912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.501912 (E_RNA) where: Base-Base interactions energy: -697.195 where: short stacking energy: -346.039 Base-Backbone interact. energy: 1.152 local terms energy: -366.458409 where: bonds (distance) C4'-P energy: -85.523 bonds (distance) P-C4' energy: -81.802 flat angles C4'-P-C4' energy: -78.362 flat angles P-C4'-P energy: -44.192 tors. eta vs tors. theta energy: -76.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -909.313695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.313695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.313695 (E_RNA) where: Base-Base interactions energy: -533.974 where: short stacking energy: -267.247 Base-Backbone interact. energy: -1.239 local terms energy: -374.100126 where: bonds (distance) C4'-P energy: -87.369 bonds (distance) P-C4' energy: -85.441 flat angles C4'-P-C4' energy: -85.615 flat angles P-C4'-P energy: -51.004 tors. eta vs tors. theta energy: -64.672 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: 6 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -803.931977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.931977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.931977 (E_RNA) where: Base-Base interactions energy: -481.475 where: short stacking energy: -238.694 Base-Backbone interact. energy: -1.775 local terms energy: -320.682024 where: bonds (distance) C4'-P energy: -79.494 bonds (distance) P-C4' energy: -77.328 flat angles C4'-P-C4' energy: -84.289 flat angles P-C4'-P energy: -41.090 tors. eta vs tors. theta energy: -38.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -682.872794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.872794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.872794 (E_RNA) where: Base-Base interactions energy: -376.635 where: short stacking energy: -195.385 Base-Backbone interact. energy: -4.205 local terms energy: -302.033485 where: bonds (distance) C4'-P energy: -76.882 bonds (distance) P-C4' energy: -95.634 flat angles C4'-P-C4' energy: -75.791 flat angles P-C4'-P energy: -27.824 tors. eta vs tors. theta energy: -25.902 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: 1 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -645.873313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.873313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.873313 (E_RNA) where: Base-Base interactions energy: -350.661 where: short stacking energy: -184.783 Base-Backbone interact. energy: -1.023 local terms energy: -294.189476 where: bonds (distance) C4'-P energy: -79.122 bonds (distance) P-C4' energy: -97.091 flat angles C4'-P-C4' energy: -63.635 flat angles P-C4'-P energy: -47.607 tors. eta vs tors. theta energy: -6.735 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: 10, replica: 7 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -461.485075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.485075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.485075 (E_RNA) where: Base-Base interactions energy: -226.337 where: short stacking energy: -137.911 Base-Backbone interact. energy: 4.684 local terms energy: -239.832316 where: bonds (distance) C4'-P energy: -73.704 bonds (distance) P-C4' energy: -76.416 flat angles C4'-P-C4' energy: -62.669 flat angles P-C4'-P energy: -36.340 tors. eta vs tors. theta energy: 9.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1434.758553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.758553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.758553 (E_RNA) where: Base-Base interactions energy: -938.993 where: short stacking energy: -433.924 Base-Backbone interact. energy: -0.944 local terms energy: -494.821236 where: bonds (distance) C4'-P energy: -96.735 bonds (distance) P-C4' energy: -80.003 flat angles C4'-P-C4' energy: -102.788 flat angles P-C4'-P energy: -85.476 tors. eta vs tors. theta energy: -129.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1400.366302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.366302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.366302 (E_RNA) where: Base-Base interactions energy: -911.744 where: short stacking energy: -394.542 Base-Backbone interact. energy: -5.338 local terms energy: -483.283953 where: bonds (distance) C4'-P energy: -87.282 bonds (distance) P-C4' energy: -101.877 flat angles C4'-P-C4' energy: -109.721 flat angles P-C4'-P energy: -70.743 tors. eta vs tors. theta energy: -113.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1263.009170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.009170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.009170 (E_RNA) where: Base-Base interactions energy: -802.645 where: short stacking energy: -400.658 Base-Backbone interact. energy: -1.323 local terms energy: -459.041235 where: bonds (distance) C4'-P energy: -93.789 bonds (distance) P-C4' energy: -91.486 flat angles C4'-P-C4' energy: -97.239 flat angles P-C4'-P energy: -65.178 tors. eta vs tors. theta energy: -111.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1215.625766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.625766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.625766 (E_RNA) where: Base-Base interactions energy: -761.408 where: short stacking energy: -367.196 Base-Backbone interact. energy: -2.175 local terms energy: -452.042433 where: bonds (distance) C4'-P energy: -92.960 bonds (distance) P-C4' energy: -91.479 flat angles C4'-P-C4' energy: -100.029 flat angles P-C4'-P energy: -65.799 tors. eta vs tors. theta energy: -101.775 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: 5, replica: 9 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1062.473567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.473567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.473567 (E_RNA) where: Base-Base interactions energy: -639.001 where: short stacking energy: -294.282 Base-Backbone interact. energy: -1.709 local terms energy: -421.763744 where: bonds (distance) C4'-P energy: -94.794 bonds (distance) P-C4' energy: -100.353 flat angles C4'-P-C4' energy: -94.657 flat angles P-C4'-P energy: -67.011 tors. eta vs tors. theta energy: -64.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -900.400763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.400763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.400763 (E_RNA) where: Base-Base interactions energy: -508.939 where: short stacking energy: -251.090 Base-Backbone interact. energy: -1.236 local terms energy: -390.226104 where: bonds (distance) C4'-P energy: -97.556 bonds (distance) P-C4' energy: -89.315 flat angles C4'-P-C4' energy: -87.778 flat angles P-C4'-P energy: -57.138 tors. eta vs tors. theta energy: -58.439 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: 7, replica: 6 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -762.490998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.490998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.490998 (E_RNA) where: Base-Base interactions energy: -448.856 where: short stacking energy: -232.561 Base-Backbone interact. energy: 1.187 local terms energy: -314.821604 where: bonds (distance) C4'-P energy: -69.643 bonds (distance) P-C4' energy: -85.638 flat angles C4'-P-C4' energy: -72.184 flat angles P-C4'-P energy: -46.022 tors. eta vs tors. theta energy: -41.334 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: 8 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -712.197770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.197770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.197770 (E_RNA) where: Base-Base interactions energy: -411.128 where: short stacking energy: -212.845 Base-Backbone interact. energy: -2.624 local terms energy: -298.446104 where: bonds (distance) C4'-P energy: -80.261 bonds (distance) P-C4' energy: -83.338 flat angles C4'-P-C4' energy: -74.492 flat angles P-C4'-P energy: -42.061 tors. eta vs tors. theta energy: -18.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -641.051013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.051013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.051013 (E_RNA) where: Base-Base interactions energy: -343.797 where: short stacking energy: -171.232 Base-Backbone interact. energy: 1.189 local terms energy: -298.443088 where: bonds (distance) C4'-P energy: -83.961 bonds (distance) P-C4' energy: -83.170 flat angles C4'-P-C4' energy: -78.521 flat angles P-C4'-P energy: -43.075 tors. eta vs tors. theta energy: -9.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -492.570222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.570222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.570222 (E_RNA) where: Base-Base interactions energy: -245.388 where: short stacking energy: -125.797 Base-Backbone interact. energy: 1.573 local terms energy: -248.755907 where: bonds (distance) C4'-P energy: -69.553 bonds (distance) P-C4' energy: -80.827 flat angles C4'-P-C4' energy: -71.045 flat angles P-C4'-P energy: -43.232 tors. eta vs tors. theta energy: 15.901 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: 10 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1449.952187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.952187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.952187 (E_RNA) where: Base-Base interactions energy: -968.612 where: short stacking energy: -463.899 Base-Backbone interact. energy: -5.814 local terms energy: -475.526874 where: bonds (distance) C4'-P energy: -77.155 bonds (distance) P-C4' energy: -95.959 flat angles C4'-P-C4' energy: -108.857 flat angles P-C4'-P energy: -70.242 tors. eta vs tors. theta energy: -123.314 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: 5 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1363.603155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.603155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.603155 (E_RNA) where: Base-Base interactions energy: -899.066 where: short stacking energy: -414.759 Base-Backbone interact. energy: -3.486 local terms energy: -461.050612 where: bonds (distance) C4'-P energy: -87.780 bonds (distance) P-C4' energy: -96.574 flat angles C4'-P-C4' energy: -109.925 flat angles P-C4'-P energy: -60.117 tors. eta vs tors. theta energy: -106.655 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: 3 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1236.272172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.272172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.272172 (E_RNA) where: Base-Base interactions energy: -799.668 where: short stacking energy: -406.075 Base-Backbone interact. energy: -0.476 local terms energy: -436.128816 where: bonds (distance) C4'-P energy: -93.449 bonds (distance) P-C4' energy: -86.634 flat angles C4'-P-C4' energy: -100.896 flat angles P-C4'-P energy: -44.197 tors. eta vs tors. theta energy: -110.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1188.734120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.734120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.734120 (E_RNA) where: Base-Base interactions energy: -772.510 where: short stacking energy: -370.501 Base-Backbone interact. energy: 0.140 local terms energy: -416.364098 where: bonds (distance) C4'-P energy: -74.692 bonds (distance) P-C4' energy: -90.611 flat angles C4'-P-C4' energy: -99.719 flat angles P-C4'-P energy: -51.789 tors. eta vs tors. theta energy: -99.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1093.727399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.727399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.727399 (E_RNA) where: Base-Base interactions energy: -678.282 where: short stacking energy: -340.843 Base-Backbone interact. energy: -2.783 local terms energy: -412.662361 where: bonds (distance) C4'-P energy: -89.003 bonds (distance) P-C4' energy: -90.719 flat angles C4'-P-C4' energy: -84.852 flat angles P-C4'-P energy: -76.077 tors. eta vs tors. theta energy: -72.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -920.622937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.622937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.622937 (E_RNA) where: Base-Base interactions energy: -545.860 where: short stacking energy: -268.476 Base-Backbone interact. energy: -0.463 local terms energy: -374.299698 where: bonds (distance) C4'-P energy: -89.967 bonds (distance) P-C4' energy: -88.681 flat angles C4'-P-C4' energy: -87.318 flat angles P-C4'-P energy: -56.358 tors. eta vs tors. theta energy: -51.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -789.373253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.373253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.373253 (E_RNA) where: Base-Base interactions energy: -463.451 where: short stacking energy: -240.523 Base-Backbone interact. energy: 0.664 local terms energy: -326.586331 where: bonds (distance) C4'-P energy: -86.541 bonds (distance) P-C4' energy: -88.719 flat angles C4'-P-C4' energy: -64.779 flat angles P-C4'-P energy: -43.953 tors. eta vs tors. theta energy: -42.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -678.717051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.717051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.717051 (E_RNA) where: Base-Base interactions energy: -369.600 where: short stacking energy: -204.875 Base-Backbone interact. energy: -2.467 local terms energy: -306.650374 where: bonds (distance) C4'-P energy: -75.011 bonds (distance) P-C4' energy: -76.302 flat angles C4'-P-C4' energy: -81.143 flat angles P-C4'-P energy: -43.029 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: 9, replica: 1 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -638.972622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.972622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.972622 (E_RNA) where: Base-Base interactions energy: -351.246 where: short stacking energy: -194.959 Base-Backbone interact. energy: 2.507 local terms energy: -290.233546 where: bonds (distance) C4'-P energy: -76.595 bonds (distance) P-C4' energy: -84.890 flat angles C4'-P-C4' energy: -68.012 flat angles P-C4'-P energy: -36.363 tors. eta vs tors. theta energy: -24.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -478.830269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.830269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.830269 (E_RNA) where: Base-Base interactions energy: -219.383 where: short stacking energy: -115.757 Base-Backbone interact. energy: 0.537 local terms energy: -259.984471 where: bonds (distance) C4'-P energy: -89.114 bonds (distance) P-C4' energy: -82.314 flat angles C4'-P-C4' energy: -59.055 flat angles P-C4'-P energy: -35.181 tors. eta vs tors. theta energy: 5.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1458.326573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.326573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.326573 (E_RNA) where: Base-Base interactions energy: -983.349 where: short stacking energy: -421.683 Base-Backbone interact. energy: -3.424 local terms energy: -471.553502 where: bonds (distance) C4'-P energy: -103.165 bonds (distance) P-C4' energy: -85.965 flat angles C4'-P-C4' energy: -94.328 flat angles P-C4'-P energy: -73.262 tors. eta vs tors. theta energy: -114.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1388.589993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.589993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.589993 (E_RNA) where: Base-Base interactions energy: -918.106 where: short stacking energy: -436.692 Base-Backbone interact. energy: -1.523 local terms energy: -468.961679 where: bonds (distance) C4'-P energy: -84.862 bonds (distance) P-C4' energy: -104.489 flat angles C4'-P-C4' energy: -94.172 flat angles P-C4'-P energy: -70.302 tors. eta vs tors. theta energy: -115.136 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: 3 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1249.903094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.903094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.903094 (E_RNA) where: Base-Base interactions energy: -806.389 where: short stacking energy: -403.471 Base-Backbone interact. energy: -0.150 local terms energy: -443.364229 where: bonds (distance) C4'-P energy: -91.545 bonds (distance) P-C4' energy: -83.269 flat angles C4'-P-C4' energy: -100.433 flat angles P-C4'-P energy: -68.282 tors. eta vs tors. theta energy: -99.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1187.950227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.950227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.950227 (E_RNA) where: Base-Base interactions energy: -757.903 where: short stacking energy: -350.417 Base-Backbone interact. energy: -1.821 local terms energy: -428.225877 where: bonds (distance) C4'-P energy: -92.693 bonds (distance) P-C4' energy: -75.612 flat angles C4'-P-C4' energy: -98.795 flat angles P-C4'-P energy: -59.836 tors. eta vs tors. theta energy: -101.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1024.571560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.571560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.571560 (E_RNA) where: Base-Base interactions energy: -647.316 where: short stacking energy: -304.646 Base-Backbone interact. energy: -1.456 local terms energy: -375.799837 where: bonds (distance) C4'-P energy: -77.383 bonds (distance) P-C4' energy: -94.069 flat angles C4'-P-C4' energy: -98.783 flat angles P-C4'-P energy: -51.983 tors. eta vs tors. theta energy: -53.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -867.432275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.432275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.432275 (E_RNA) where: Base-Base interactions energy: -510.715 where: short stacking energy: -245.138 Base-Backbone interact. energy: 0.268 local terms energy: -356.985321 where: bonds (distance) C4'-P energy: -75.828 bonds (distance) P-C4' energy: -77.780 flat angles C4'-P-C4' energy: -94.866 flat angles P-C4'-P energy: -61.618 tors. eta vs tors. theta energy: -46.893 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: 129 Temperature: 1.200000 Total energy: -828.193722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.193722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.193722 (E_RNA) where: Base-Base interactions energy: -497.594 where: short stacking energy: -243.663 Base-Backbone interact. energy: 1.278 local terms energy: -331.877832 where: bonds (distance) C4'-P energy: -74.376 bonds (distance) P-C4' energy: -78.182 flat angles C4'-P-C4' energy: -82.379 flat angles P-C4'-P energy: -48.599 tors. eta vs tors. theta energy: -48.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -638.104246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.104246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.104246 (E_RNA) where: Base-Base interactions energy: -363.714 where: short stacking energy: -191.685 Base-Backbone interact. energy: -0.709 local terms energy: -273.681814 where: bonds (distance) C4'-P energy: -78.939 bonds (distance) P-C4' energy: -78.264 flat angles C4'-P-C4' energy: -67.931 flat angles P-C4'-P energy: -43.434 tors. eta vs tors. theta energy: -5.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -625.226778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.226778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.226778 (E_RNA) where: Base-Base interactions energy: -342.247 where: short stacking energy: -164.078 Base-Backbone interact. energy: -4.494 local terms energy: -278.486327 where: bonds (distance) C4'-P energy: -73.848 bonds (distance) P-C4' energy: -83.823 flat angles C4'-P-C4' energy: -83.694 flat angles P-C4'-P energy: -21.367 tors. eta vs tors. theta energy: -15.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -504.275217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.275217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.275217 (E_RNA) where: Base-Base interactions energy: -233.503 where: short stacking energy: -139.934 Base-Backbone interact. energy: -2.872 local terms energy: -267.900530 where: bonds (distance) C4'-P energy: -82.879 bonds (distance) P-C4' energy: -85.946 flat angles C4'-P-C4' energy: -67.563 flat angles P-C4'-P energy: -34.333 tors. eta vs tors. theta energy: 2.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1468.003177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.003177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.003177 (E_RNA) where: Base-Base interactions energy: -951.214 where: short stacking energy: -434.309 Base-Backbone interact. energy: -3.681 local terms energy: -513.107416 where: bonds (distance) C4'-P energy: -101.550 bonds (distance) P-C4' energy: -95.313 flat angles C4'-P-C4' energy: -106.246 flat angles P-C4'-P energy: -78.377 tors. eta vs tors. theta energy: -131.622 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: 5 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1365.696310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.696310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.696310 (E_RNA) where: Base-Base interactions energy: -901.977 where: short stacking energy: -427.654 Base-Backbone interact. energy: -0.686 local terms energy: -463.032790 where: bonds (distance) C4'-P energy: -92.241 bonds (distance) P-C4' energy: -93.292 flat angles C4'-P-C4' energy: -99.730 flat angles P-C4'-P energy: -59.771 tors. eta vs tors. theta energy: -117.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1243.679072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.679072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.679072 (E_RNA) where: Base-Base interactions energy: -781.676 where: short stacking energy: -379.376 Base-Backbone interact. energy: -2.028 local terms energy: -459.975208 where: bonds (distance) C4'-P energy: -97.209 bonds (distance) P-C4' energy: -92.712 flat angles C4'-P-C4' energy: -108.706 flat angles P-C4'-P energy: -55.595 tors. eta vs tors. theta energy: -105.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1213.220096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.220096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.220096 (E_RNA) where: Base-Base interactions energy: -779.839 where: short stacking energy: -357.256 Base-Backbone interact. energy: -0.837 local terms energy: -432.543647 where: bonds (distance) C4'-P energy: -83.418 bonds (distance) P-C4' energy: -76.408 flat angles C4'-P-C4' energy: -105.493 flat angles P-C4'-P energy: -67.709 tors. eta vs tors. theta energy: -99.515 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: 9 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1035.195012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.195012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.195012 (E_RNA) where: Base-Base interactions energy: -652.023 where: short stacking energy: -305.477 Base-Backbone interact. energy: -2.954 local terms energy: -380.218268 where: bonds (distance) C4'-P energy: -90.664 bonds (distance) P-C4' energy: -89.931 flat angles C4'-P-C4' energy: -96.487 flat angles P-C4'-P energy: -37.637 tors. eta vs tors. theta energy: -65.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -923.484066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.484066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.484066 (E_RNA) where: Base-Base interactions energy: -535.300 where: short stacking energy: -260.970 Base-Backbone interact. energy: -1.762 local terms energy: -386.422129 where: bonds (distance) C4'-P energy: -83.366 bonds (distance) P-C4' energy: -99.117 flat angles C4'-P-C4' energy: -84.377 flat angles P-C4'-P energy: -59.985 tors. eta vs tors. theta energy: -59.577 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: 4 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -829.775398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.775398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.775398 (E_RNA) where: Base-Base interactions energy: -493.138 where: short stacking energy: -238.397 Base-Backbone interact. energy: 1.818 local terms energy: -338.455556 where: bonds (distance) C4'-P energy: -79.361 bonds (distance) P-C4' energy: -93.627 flat angles C4'-P-C4' energy: -69.457 flat angles P-C4'-P energy: -59.334 tors. eta vs tors. theta energy: -36.676 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: 1 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -714.690327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.690327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.690327 (E_RNA) where: Base-Base interactions energy: -382.538 where: short stacking energy: -196.719 Base-Backbone interact. energy: -2.170 local terms energy: -329.982264 where: bonds (distance) C4'-P energy: -87.648 bonds (distance) P-C4' energy: -81.436 flat angles C4'-P-C4' energy: -88.157 flat angles P-C4'-P energy: -50.303 tors. eta vs tors. theta energy: -22.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -655.743712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.743712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.743712 (E_RNA) where: Base-Base interactions energy: -378.576 where: short stacking energy: -191.804 Base-Backbone interact. energy: 3.141 local terms energy: -280.308577 where: bonds (distance) C4'-P energy: -90.653 bonds (distance) P-C4' energy: -59.922 flat angles C4'-P-C4' energy: -76.194 flat angles P-C4'-P energy: -41.487 tors. eta vs tors. theta energy: -12.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -507.011640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.011640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.011640 (E_RNA) where: Base-Base interactions energy: -234.155 where: short stacking energy: -138.822 Base-Backbone interact. energy: 0.824 local terms energy: -273.679793 where: bonds (distance) C4'-P energy: -73.201 bonds (distance) P-C4' energy: -85.463 flat angles C4'-P-C4' energy: -74.279 flat angles P-C4'-P energy: -49.566 tors. eta vs tors. theta energy: 8.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1451.488736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.488736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.488736 (E_RNA) where: Base-Base interactions energy: -964.381 where: short stacking energy: -430.991 Base-Backbone interact. energy: -0.642 local terms energy: -486.465777 where: bonds (distance) C4'-P energy: -96.464 bonds (distance) P-C4' energy: -87.893 flat angles C4'-P-C4' energy: -107.525 flat angles P-C4'-P energy: -69.386 tors. eta vs tors. theta energy: -125.197 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: 2, replica: 5 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1398.331719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.331719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.331719 (E_RNA) where: Base-Base interactions energy: -909.743 where: short stacking energy: -434.412 Base-Backbone interact. energy: -1.875 local terms energy: -486.714225 where: bonds (distance) C4'-P energy: -87.016 bonds (distance) P-C4' energy: -102.838 flat angles C4'-P-C4' energy: -110.076 flat angles P-C4'-P energy: -64.398 tors. eta vs tors. theta energy: -122.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1279.190974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.190974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.190974 (E_RNA) where: Base-Base interactions energy: -830.932 where: short stacking energy: -394.597 Base-Backbone interact. energy: 1.121 local terms energy: -449.379362 where: bonds (distance) C4'-P energy: -82.346 bonds (distance) P-C4' energy: -96.515 flat angles C4'-P-C4' energy: -91.215 flat angles P-C4'-P energy: -65.730 tors. eta vs tors. theta energy: -113.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1198.034755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.034755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.034755 (E_RNA) where: Base-Base interactions energy: -759.086 where: short stacking energy: -365.680 Base-Backbone interact. energy: -1.022 local terms energy: -437.926517 where: bonds (distance) C4'-P energy: -75.923 bonds (distance) P-C4' energy: -91.338 flat angles C4'-P-C4' energy: -91.610 flat angles P-C4'-P energy: -70.017 tors. eta vs tors. theta energy: -109.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1047.706244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.706244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.706244 (E_RNA) where: Base-Base interactions energy: -660.957 where: short stacking energy: -301.845 Base-Backbone interact. energy: 0.252 local terms energy: -387.001356 where: bonds (distance) C4'-P energy: -78.832 bonds (distance) P-C4' energy: -83.882 flat angles C4'-P-C4' energy: -93.542 flat angles P-C4'-P energy: -54.080 tors. eta vs tors. theta energy: -76.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -932.072173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.072173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.072173 (E_RNA) where: Base-Base interactions energy: -554.577 where: short stacking energy: -283.774 Base-Backbone interact. energy: -0.811 local terms energy: -376.684152 where: bonds (distance) C4'-P energy: -85.231 bonds (distance) P-C4' energy: -87.898 flat angles C4'-P-C4' energy: -85.930 flat angles P-C4'-P energy: -53.339 tors. eta vs tors. theta energy: -64.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -825.734964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.734964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.734964 (E_RNA) where: Base-Base interactions energy: -472.522 where: short stacking energy: -228.311 Base-Backbone interact. energy: -0.745 local terms energy: -352.467435 where: bonds (distance) C4'-P energy: -84.308 bonds (distance) P-C4' energy: -94.296 flat angles C4'-P-C4' energy: -80.497 flat angles P-C4'-P energy: -47.782 tors. eta vs tors. theta energy: -45.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -668.704910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.704910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.704910 (E_RNA) where: Base-Base interactions energy: -367.293 where: short stacking energy: -195.256 Base-Backbone interact. energy: 0.659 local terms energy: -302.070386 where: bonds (distance) C4'-P energy: -90.573 bonds (distance) P-C4' energy: -79.281 flat angles C4'-P-C4' energy: -83.703 flat angles P-C4'-P energy: -28.820 tors. eta vs tors. theta energy: -19.694 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: 8 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -648.812913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.812913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.812913 (E_RNA) where: Base-Base interactions energy: -354.329 where: short stacking energy: -182.835 Base-Backbone interact. energy: 2.544 local terms energy: -297.028007 where: bonds (distance) C4'-P energy: -77.708 bonds (distance) P-C4' energy: -89.287 flat angles C4'-P-C4' energy: -62.117 flat angles P-C4'-P energy: -42.854 tors. eta vs tors. theta energy: -25.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -516.191906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.191906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.191906 (E_RNA) where: Base-Base interactions energy: -270.097 where: short stacking energy: -132.739 Base-Backbone interact. energy: -2.975 local terms energy: -243.119476 where: bonds (distance) C4'-P energy: -63.238 bonds (distance) P-C4' energy: -84.500 flat angles C4'-P-C4' energy: -64.656 flat angles P-C4'-P energy: -39.357 tors. eta vs tors. theta energy: 8.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1475.353773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.353773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.353773 (E_RNA) where: Base-Base interactions energy: -994.782 where: short stacking energy: -469.453 Base-Backbone interact. energy: -0.634 local terms energy: -479.937694 where: bonds (distance) C4'-P energy: -90.008 bonds (distance) P-C4' energy: -87.624 flat angles C4'-P-C4' energy: -100.327 flat angles P-C4'-P energy: -72.577 tors. eta vs tors. theta energy: -129.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -1406.267906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.267906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.267906 (E_RNA) where: Base-Base interactions energy: -929.276 where: short stacking energy: -485.802 Base-Backbone interact. energy: -1.763 local terms energy: -475.228559 where: bonds (distance) C4'-P energy: -82.031 bonds (distance) P-C4' energy: -85.311 flat angles C4'-P-C4' energy: -106.881 flat angles P-C4'-P energy: -69.682 tors. eta vs tors. theta energy: -131.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1261.247026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.247026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.247026 (E_RNA) where: Base-Base interactions energy: -801.788 where: short stacking energy: -397.311 Base-Backbone interact. energy: -0.466 local terms energy: -458.992322 where: bonds (distance) C4'-P energy: -78.791 bonds (distance) P-C4' energy: -100.394 flat angles C4'-P-C4' energy: -109.743 flat angles P-C4'-P energy: -69.026 tors. eta vs tors. theta energy: -101.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1210.413775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.413775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.413775 (E_RNA) where: Base-Base interactions energy: -776.948 where: short stacking energy: -363.070 Base-Backbone interact. energy: -1.969 local terms energy: -431.496350 where: bonds (distance) C4'-P energy: -94.599 bonds (distance) P-C4' energy: -88.534 flat angles C4'-P-C4' energy: -99.532 flat angles P-C4'-P energy: -45.481 tors. eta vs tors. theta energy: -103.350 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: 9 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1053.348921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.348921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.348921 (E_RNA) where: Base-Base interactions energy: -628.288 where: short stacking energy: -278.637 Base-Backbone interact. energy: -3.263 local terms energy: -421.797850 where: bonds (distance) C4'-P energy: -88.314 bonds (distance) P-C4' energy: -98.889 flat angles C4'-P-C4' energy: -97.625 flat angles P-C4'-P energy: -58.401 tors. eta vs tors. theta energy: -78.569 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: 6, replica: 6 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -972.207533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.207533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.207533 (E_RNA) where: Base-Base interactions energy: -601.607 where: short stacking energy: -287.105 Base-Backbone interact. energy: -0.345 local terms energy: -370.255582 where: bonds (distance) C4'-P energy: -80.970 bonds (distance) P-C4' energy: -88.745 flat angles C4'-P-C4' energy: -86.291 flat angles P-C4'-P energy: -59.636 tors. eta vs tors. theta energy: -54.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -832.630058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.630058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.630058 (E_RNA) where: Base-Base interactions energy: -483.370 where: short stacking energy: -239.649 Base-Backbone interact. energy: -1.724 local terms energy: -347.535683 where: bonds (distance) C4'-P energy: -72.437 bonds (distance) P-C4' energy: -94.258 flat angles C4'-P-C4' energy: -78.354 flat angles P-C4'-P energy: -54.043 tors. eta vs tors. theta energy: -48.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -662.514466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.514466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.514466 (E_RNA) where: Base-Base interactions energy: -386.979 where: short stacking energy: -162.879 Base-Backbone interact. energy: -1.799 local terms energy: -273.736257 where: bonds (distance) C4'-P energy: -79.346 bonds (distance) P-C4' energy: -77.385 flat angles C4'-P-C4' energy: -78.544 flat angles P-C4'-P energy: -43.726 tors. eta vs tors. theta energy: 5.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -534.645432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.645432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.645432 (E_RNA) where: Base-Base interactions energy: -276.111 where: short stacking energy: -157.085 Base-Backbone interact. energy: 0.397 local terms energy: -258.931522 where: bonds (distance) C4'-P energy: -63.703 bonds (distance) P-C4' energy: -83.425 flat angles C4'-P-C4' energy: -75.548 flat angles P-C4'-P energy: -36.327 tors. eta vs tors. theta energy: 0.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -485.553772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.553772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.553772 (E_RNA) where: Base-Base interactions energy: -202.181 where: short stacking energy: -109.597 Base-Backbone interact. energy: 0.801 local terms energy: -284.173256 where: bonds (distance) C4'-P energy: -74.097 bonds (distance) P-C4' energy: -89.573 flat angles C4'-P-C4' energy: -68.306 flat angles P-C4'-P energy: -44.800 tors. eta vs tors. theta energy: -7.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1442.941319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.941319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.941319 (E_RNA) where: Base-Base interactions energy: -962.707 where: short stacking energy: -427.159 Base-Backbone interact. energy: -0.672 local terms energy: -479.562158 where: bonds (distance) C4'-P energy: -95.209 bonds (distance) P-C4' energy: -89.430 flat angles C4'-P-C4' energy: -104.431 flat angles P-C4'-P energy: -76.160 tors. eta vs tors. theta energy: -114.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1392.935738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.935738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.935738 (E_RNA) where: Base-Base interactions energy: -888.828 where: short stacking energy: -411.000 Base-Backbone interact. energy: -1.078 local terms energy: -503.029667 where: bonds (distance) C4'-P energy: -97.064 bonds (distance) P-C4' energy: -102.022 flat angles C4'-P-C4' energy: -99.528 flat angles P-C4'-P energy: -65.051 tors. eta vs tors. theta energy: -139.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1270.597169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.597169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.597169 (E_RNA) where: Base-Base interactions energy: -824.780 where: short stacking energy: -383.741 Base-Backbone interact. energy: -1.844 local terms energy: -443.973260 where: bonds (distance) C4'-P energy: -83.783 bonds (distance) P-C4' energy: -75.300 flat angles C4'-P-C4' energy: -106.122 flat angles P-C4'-P energy: -67.247 tors. eta vs tors. theta energy: -111.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1227.483761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.483761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.483761 (E_RNA) where: Base-Base interactions energy: -790.479 where: short stacking energy: -377.284 Base-Backbone interact. energy: -2.979 local terms energy: -434.026161 where: bonds (distance) C4'-P energy: -74.517 bonds (distance) P-C4' energy: -92.133 flat angles C4'-P-C4' energy: -97.645 flat angles P-C4'-P energy: -63.613 tors. eta vs tors. theta energy: -106.118 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: 9 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1053.945895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.945895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.945895 (E_RNA) where: Base-Base interactions energy: -646.227 where: short stacking energy: -337.239 Base-Backbone interact. energy: -0.976 local terms energy: -406.742885 where: bonds (distance) C4'-P energy: -92.845 bonds (distance) P-C4' energy: -92.776 flat angles C4'-P-C4' energy: -87.402 flat angles P-C4'-P energy: -61.958 tors. eta vs tors. theta energy: -71.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -962.456998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.456998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.456998 (E_RNA) where: Base-Base interactions energy: -584.866 where: short stacking energy: -250.029 Base-Backbone interact. energy: -2.767 local terms energy: -374.824028 where: bonds (distance) C4'-P energy: -72.070 bonds (distance) P-C4' energy: -83.284 flat angles C4'-P-C4' energy: -94.597 flat angles P-C4'-P energy: -65.249 tors. eta vs tors. theta energy: -59.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -803.296300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.296300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.296300 (E_RNA) where: Base-Base interactions energy: -483.605 where: short stacking energy: -238.517 Base-Backbone interact. energy: -2.054 local terms energy: -317.637509 where: bonds (distance) C4'-P energy: -78.859 bonds (distance) P-C4' energy: -90.566 flat angles C4'-P-C4' energy: -90.413 flat angles P-C4'-P energy: -35.465 tors. eta vs tors. theta energy: -22.333 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: 1 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -667.655706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.655706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.655706 (E_RNA) where: Base-Base interactions energy: -367.624 where: short stacking energy: -190.903 Base-Backbone interact. energy: 1.396 local terms energy: -301.427193 where: bonds (distance) C4'-P energy: -72.330 bonds (distance) P-C4' energy: -86.160 flat angles C4'-P-C4' energy: -71.925 flat angles P-C4'-P energy: -52.893 tors. eta vs tors. theta energy: -18.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -573.182078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.182078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.182078 (E_RNA) where: Base-Base interactions energy: -300.940 where: short stacking energy: -152.108 Base-Backbone interact. energy: -1.287 local terms energy: -270.954790 where: bonds (distance) C4'-P energy: -77.126 bonds (distance) P-C4' energy: -87.660 flat angles C4'-P-C4' energy: -69.699 flat angles P-C4'-P energy: -34.017 tors. eta vs tors. theta energy: -2.453 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: 8 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -483.825982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.825982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.825982 (E_RNA) where: Base-Base interactions energy: -232.000 where: short stacking energy: -145.945 Base-Backbone interact. energy: 2.056 local terms energy: -253.882835 where: bonds (distance) C4'-P energy: -69.638 bonds (distance) P-C4' energy: -81.919 flat angles C4'-P-C4' energy: -74.764 flat angles P-C4'-P energy: -30.794 tors. eta vs tors. theta energy: 3.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1456.892322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.892322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.892322 (E_RNA) where: Base-Base interactions energy: -962.533 where: short stacking energy: -443.757 Base-Backbone interact. energy: -2.352 local terms energy: -492.008023 where: bonds (distance) C4'-P energy: -100.341 bonds (distance) P-C4' energy: -96.168 flat angles C4'-P-C4' energy: -105.790 flat angles P-C4'-P energy: -70.042 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: 2, replica: 5 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1385.790346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.790346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.790346 (E_RNA) where: Base-Base interactions energy: -888.592 where: short stacking energy: -422.844 Base-Backbone interact. energy: -0.701 local terms energy: -496.497680 where: bonds (distance) C4'-P energy: -96.677 bonds (distance) P-C4' energy: -99.226 flat angles C4'-P-C4' energy: -102.120 flat angles P-C4'-P energy: -69.798 tors. eta vs tors. theta energy: -128.676 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: 134 Temperature: 1.000000 Total energy: -1262.701389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.701389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.701389 (E_RNA) where: Base-Base interactions energy: -817.023 where: short stacking energy: -410.377 Base-Backbone interact. energy: -0.717 local terms energy: -444.960791 where: bonds (distance) C4'-P energy: -91.903 bonds (distance) P-C4' energy: -85.066 flat angles C4'-P-C4' energy: -99.576 flat angles P-C4'-P energy: -56.633 tors. eta vs tors. theta energy: -111.783 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: 3 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1202.726404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.726404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.726404 (E_RNA) where: Base-Base interactions energy: -776.664 where: short stacking energy: -388.835 Base-Backbone interact. energy: 0.283 local terms energy: -426.346031 where: bonds (distance) C4'-P energy: -90.874 bonds (distance) P-C4' energy: -75.054 flat angles C4'-P-C4' energy: -100.360 flat angles P-C4'-P energy: -58.820 tors. eta vs tors. theta energy: -101.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1019.995981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.995981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.995981 (E_RNA) where: Base-Base interactions energy: -596.038 where: short stacking energy: -278.413 Base-Backbone interact. energy: -1.436 local terms energy: -422.521562 where: bonds (distance) C4'-P energy: -92.991 bonds (distance) P-C4' energy: -95.047 flat angles C4'-P-C4' energy: -88.131 flat angles P-C4'-P energy: -72.130 tors. eta vs tors. theta energy: -74.222 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: 6 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -976.089797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.089797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.089797 (E_RNA) where: Base-Base interactions energy: -599.070 where: short stacking energy: -284.340 Base-Backbone interact. energy: -5.513 local terms energy: -371.506701 where: bonds (distance) C4'-P energy: -83.851 bonds (distance) P-C4' energy: -81.051 flat angles C4'-P-C4' energy: -75.929 flat angles P-C4'-P energy: -69.408 tors. eta vs tors. theta energy: -61.268 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: 4 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -811.788405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.788405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.788405 (E_RNA) where: Base-Base interactions energy: -455.172 where: short stacking energy: -239.595 Base-Backbone interact. energy: -0.909 local terms energy: -355.707803 where: bonds (distance) C4'-P energy: -85.947 bonds (distance) P-C4' energy: -85.219 flat angles C4'-P-C4' energy: -85.239 flat angles P-C4'-P energy: -59.958 tors. eta vs tors. theta energy: -39.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -641.679959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.679959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.679959 (E_RNA) where: Base-Base interactions energy: -375.504 where: short stacking energy: -191.349 Base-Backbone interact. energy: -2.123 local terms energy: -264.053080 where: bonds (distance) C4'-P energy: -80.619 bonds (distance) P-C4' energy: -67.278 flat angles C4'-P-C4' energy: -66.357 flat angles P-C4'-P energy: -44.946 tors. eta vs tors. theta energy: -4.853 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: 134 Temperature: 1.300000 Total energy: -618.346016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.346016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.346016 (E_RNA) where: Base-Base interactions energy: -313.276 where: short stacking energy: -185.822 Base-Backbone interact. energy: -0.235 local terms energy: -304.834309 where: bonds (distance) C4'-P energy: -74.992 bonds (distance) P-C4' energy: -81.973 flat angles C4'-P-C4' energy: -68.015 flat angles P-C4'-P energy: -57.168 tors. eta vs tors. theta energy: -22.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -542.765105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.765105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.765105 (E_RNA) where: Base-Base interactions energy: -297.476 where: short stacking energy: -158.843 Base-Backbone interact. energy: 0.275 local terms energy: -245.564419 where: bonds (distance) C4'-P energy: -77.439 bonds (distance) P-C4' energy: -60.485 flat angles C4'-P-C4' energy: -58.314 flat angles P-C4'-P energy: -35.586 tors. eta vs tors. theta energy: -13.739 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: 10 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1431.959626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.959626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.959626 (E_RNA) where: Base-Base interactions energy: -954.372 where: short stacking energy: -420.672 Base-Backbone interact. energy: 0.913 local terms energy: -478.500229 where: bonds (distance) C4'-P energy: -100.135 bonds (distance) P-C4' energy: -100.606 flat angles C4'-P-C4' energy: -106.272 flat angles P-C4'-P energy: -61.537 tors. eta vs tors. theta energy: -109.950 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: 5 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1409.092239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.092239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.092239 (E_RNA) where: Base-Base interactions energy: -923.790 where: short stacking energy: -437.482 Base-Backbone interact. energy: -2.346 local terms energy: -482.955865 where: bonds (distance) C4'-P energy: -92.659 bonds (distance) P-C4' energy: -96.935 flat angles C4'-P-C4' energy: -99.200 flat angles P-C4'-P energy: -66.478 tors. eta vs tors. theta energy: -127.683 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: 2 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1263.667279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.667279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.667279 (E_RNA) where: Base-Base interactions energy: -819.201 where: short stacking energy: -385.164 Base-Backbone interact. energy: -2.645 local terms energy: -441.821702 where: bonds (distance) C4'-P energy: -90.007 bonds (distance) P-C4' energy: -93.809 flat angles C4'-P-C4' energy: -98.074 flat angles P-C4'-P energy: -55.404 tors. eta vs tors. theta energy: -104.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1177.121235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.121235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.121235 (E_RNA) where: Base-Base interactions energy: -763.529 where: short stacking energy: -371.826 Base-Backbone interact. energy: 3.810 local terms energy: -417.401914 where: bonds (distance) C4'-P energy: -91.798 bonds (distance) P-C4' energy: -85.419 flat angles C4'-P-C4' energy: -95.164 flat angles P-C4'-P energy: -64.962 tors. eta vs tors. theta energy: -80.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1031.026383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.026383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.026383 (E_RNA) where: Base-Base interactions energy: -645.686 where: short stacking energy: -309.148 Base-Backbone interact. energy: 0.349 local terms energy: -385.688923 where: bonds (distance) C4'-P energy: -85.425 bonds (distance) P-C4' energy: -78.812 flat angles C4'-P-C4' energy: -91.007 flat angles P-C4'-P energy: -52.781 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: 6 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -915.963949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.963949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.963949 (E_RNA) where: Base-Base interactions energy: -554.932 where: short stacking energy: -249.944 Base-Backbone interact. energy: -2.583 local terms energy: -358.448839 where: bonds (distance) C4'-P energy: -73.482 bonds (distance) P-C4' energy: -89.120 flat angles C4'-P-C4' energy: -68.568 flat angles P-C4'-P energy: -69.038 tors. eta vs tors. theta energy: -58.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -796.336151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.336151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.336151 (E_RNA) where: Base-Base interactions energy: -480.990 where: short stacking energy: -204.181 Base-Backbone interact. energy: 4.134 local terms energy: -319.479952 where: bonds (distance) C4'-P energy: -86.835 bonds (distance) P-C4' energy: -92.920 flat angles C4'-P-C4' energy: -49.188 flat angles P-C4'-P energy: -52.101 tors. eta vs tors. theta energy: -38.436 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: 8, replica: 1 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -652.020315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.020315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.020315 (E_RNA) where: Base-Base interactions energy: -348.693 where: short stacking energy: -205.782 Base-Backbone interact. energy: -1.899 local terms energy: -301.428475 where: bonds (distance) C4'-P energy: -80.127 bonds (distance) P-C4' energy: -73.990 flat angles C4'-P-C4' energy: -82.669 flat angles P-C4'-P energy: -41.741 tors. eta vs tors. theta energy: -22.902 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: 135 Temperature: 1.300000 Total energy: -585.703068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.703068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.703068 (E_RNA) where: Base-Base interactions energy: -302.803 where: short stacking energy: -181.069 Base-Backbone interact. energy: 1.637 local terms energy: -284.536432 where: bonds (distance) C4'-P energy: -70.756 bonds (distance) P-C4' energy: -79.495 flat angles C4'-P-C4' energy: -91.080 flat angles P-C4'-P energy: -42.501 tors. eta vs tors. theta energy: -0.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -512.224366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.224366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.224366 (E_RNA) where: Base-Base interactions energy: -290.921 where: short stacking energy: -141.737 Base-Backbone interact. energy: 1.973 local terms energy: -223.275443 where: bonds (distance) C4'-P energy: -70.656 bonds (distance) P-C4' energy: -62.349 flat angles C4'-P-C4' energy: -71.623 flat angles P-C4'-P energy: -32.303 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: 1, replica: 5 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1458.363696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.363696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.363696 (E_RNA) where: Base-Base interactions energy: -958.879 where: short stacking energy: -451.872 Base-Backbone interact. energy: 0.195 local terms energy: -499.679826 where: bonds (distance) C4'-P energy: -109.227 bonds (distance) P-C4' energy: -98.821 flat angles C4'-P-C4' energy: -100.819 flat angles P-C4'-P energy: -57.888 tors. eta vs tors. theta energy: -132.925 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: 2, replica: 10 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1425.163255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.163255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.163255 (E_RNA) where: Base-Base interactions energy: -954.408 where: short stacking energy: -431.479 Base-Backbone interact. energy: -3.475 local terms energy: -467.280853 where: bonds (distance) C4'-P energy: -94.637 bonds (distance) P-C4' energy: -86.333 flat angles C4'-P-C4' energy: -107.826 flat angles P-C4'-P energy: -73.358 tors. eta vs tors. theta energy: -105.126 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: 2 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1274.403918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.403918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.403918 (E_RNA) where: Base-Base interactions energy: -820.244 where: short stacking energy: -385.588 Base-Backbone interact. energy: 0.572 local terms energy: -454.731962 where: bonds (distance) C4'-P energy: -89.386 bonds (distance) P-C4' energy: -90.969 flat angles C4'-P-C4' energy: -92.397 flat angles P-C4'-P energy: -67.455 tors. eta vs tors. theta energy: -114.525 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: 3 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1179.943796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.943796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.943796 (E_RNA) where: Base-Base interactions energy: -732.728 where: short stacking energy: -335.821 Base-Backbone interact. energy: -1.897 local terms energy: -445.318816 where: bonds (distance) C4'-P energy: -96.293 bonds (distance) P-C4' energy: -103.015 flat angles C4'-P-C4' energy: -89.712 flat angles P-C4'-P energy: -73.878 tors. eta vs tors. theta energy: -82.420 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: 6 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -993.375698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.375698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.375698 (E_RNA) where: Base-Base interactions energy: -596.661 where: short stacking energy: -294.750 Base-Backbone interact. energy: 3.045 local terms energy: -399.759812 where: bonds (distance) C4'-P energy: -81.400 bonds (distance) P-C4' energy: -82.622 flat angles C4'-P-C4' energy: -101.840 flat angles P-C4'-P energy: -54.413 tors. eta vs tors. theta energy: -79.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1003.212590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.212590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.212590 (E_RNA) where: Base-Base interactions energy: -645.392 where: short stacking energy: -313.546 Base-Backbone interact. energy: -2.308 local terms energy: -355.511830 where: bonds (distance) C4'-P energy: -80.101 bonds (distance) P-C4' energy: -87.186 flat angles C4'-P-C4' energy: -82.161 flat angles P-C4'-P energy: -34.169 tors. eta vs tors. theta energy: -71.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -780.975593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.975593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.975593 (E_RNA) where: Base-Base interactions energy: -438.837 where: short stacking energy: -210.656 Base-Backbone interact. energy: -2.636 local terms energy: -339.502951 where: bonds (distance) C4'-P energy: -66.327 bonds (distance) P-C4' energy: -102.750 flat angles C4'-P-C4' energy: -78.009 flat angles P-C4'-P energy: -53.972 tors. eta vs tors. theta energy: -38.446 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: 1 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -642.670885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.670885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.670885 (E_RNA) where: Base-Base interactions energy: -334.933 where: short stacking energy: -190.135 Base-Backbone interact. energy: -0.842 local terms energy: -306.896452 where: bonds (distance) C4'-P energy: -82.192 bonds (distance) P-C4' energy: -79.561 flat angles C4'-P-C4' energy: -74.431 flat angles P-C4'-P energy: -49.370 tors. eta vs tors. theta energy: -21.342 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: 7 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -608.576802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.576802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.576802 (E_RNA) where: Base-Base interactions energy: -313.781 where: short stacking energy: -184.976 Base-Backbone interact. energy: -2.072 local terms energy: -292.723803 where: bonds (distance) C4'-P energy: -78.722 bonds (distance) P-C4' energy: -79.180 flat angles C4'-P-C4' energy: -74.137 flat angles P-C4'-P energy: -51.771 tors. eta vs tors. theta energy: -8.914 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: 8 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -489.089346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.089346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.089346 (E_RNA) where: Base-Base interactions energy: -241.582 where: short stacking energy: -128.089 Base-Backbone interact. energy: 1.511 local terms energy: -249.018244 where: bonds (distance) C4'-P energy: -68.725 bonds (distance) P-C4' energy: -86.705 flat angles C4'-P-C4' energy: -61.192 flat angles P-C4'-P energy: -36.141 tors. eta vs tors. theta energy: 3.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1499.306653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.306653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.306653 (E_RNA) where: Base-Base interactions energy: -987.569 where: short stacking energy: -468.902 Base-Backbone interact. energy: -0.880 local terms energy: -510.857849 where: bonds (distance) C4'-P energy: -92.259 bonds (distance) P-C4' energy: -96.779 flat angles C4'-P-C4' energy: -102.292 flat angles P-C4'-P energy: -79.401 tors. eta vs tors. theta energy: -140.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1403.952374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.952374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.952374 (E_RNA) where: Base-Base interactions energy: -929.233 where: short stacking energy: -418.254 Base-Backbone interact. energy: -2.980 local terms energy: -471.739796 where: bonds (distance) C4'-P energy: -96.323 bonds (distance) P-C4' energy: -95.698 flat angles C4'-P-C4' energy: -96.907 flat angles P-C4'-P energy: -69.545 tors. eta vs tors. theta energy: -113.266 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: 3, replica: 2 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1275.555047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.555047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.555047 (E_RNA) where: Base-Base interactions energy: -800.356 where: short stacking energy: -381.203 Base-Backbone interact. energy: -2.026 local terms energy: -473.173326 where: bonds (distance) C4'-P energy: -87.991 bonds (distance) P-C4' energy: -96.329 flat angles C4'-P-C4' energy: -104.503 flat angles P-C4'-P energy: -71.763 tors. eta vs tors. theta energy: -112.588 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: 4, replica: 3 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1223.181448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.181448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.181448 (E_RNA) where: Base-Base interactions energy: -787.925 where: short stacking energy: -369.573 Base-Backbone interact. energy: -0.394 local terms energy: -434.862056 where: bonds (distance) C4'-P energy: -88.831 bonds (distance) P-C4' energy: -77.783 flat angles C4'-P-C4' energy: -99.618 flat angles P-C4'-P energy: -61.144 tors. eta vs tors. theta energy: -107.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -963.295778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.295778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.295778 (E_RNA) where: Base-Base interactions energy: -560.930 where: short stacking energy: -303.130 Base-Backbone interact. energy: 0.832 local terms energy: -403.197482 where: bonds (distance) C4'-P energy: -91.254 bonds (distance) P-C4' energy: -93.760 flat angles C4'-P-C4' energy: -86.660 flat angles P-C4'-P energy: -62.123 tors. eta vs tors. theta energy: -69.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1016.494159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.494159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.494159 (E_RNA) where: Base-Base interactions energy: -631.610 where: short stacking energy: -298.861 Base-Backbone interact. energy: 3.557 local terms energy: -388.440970 where: bonds (distance) C4'-P energy: -88.213 bonds (distance) P-C4' energy: -87.765 flat angles C4'-P-C4' energy: -90.418 flat angles P-C4'-P energy: -59.253 tors. eta vs tors. theta energy: -62.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -792.262889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.262889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.262889 (E_RNA) where: Base-Base interactions energy: -461.474 where: short stacking energy: -204.611 Base-Backbone interact. energy: -0.638 local terms energy: -330.150747 where: bonds (distance) C4'-P energy: -83.122 bonds (distance) P-C4' energy: -87.489 flat angles C4'-P-C4' energy: -83.478 flat angles P-C4'-P energy: -47.678 tors. eta vs tors. theta energy: -28.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -669.111493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.111493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.111493 (E_RNA) where: Base-Base interactions energy: -353.651 where: short stacking energy: -212.715 Base-Backbone interact. energy: -2.097 local terms energy: -313.362892 where: bonds (distance) C4'-P energy: -76.816 bonds (distance) P-C4' energy: -81.708 flat angles C4'-P-C4' energy: -65.471 flat angles P-C4'-P energy: -55.453 tors. eta vs tors. theta energy: -33.914 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: 7 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -597.240391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.240391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.240391 (E_RNA) where: Base-Base interactions energy: -312.166 where: short stacking energy: -175.890 Base-Backbone interact. energy: -0.165 local terms energy: -284.909457 where: bonds (distance) C4'-P energy: -57.141 bonds (distance) P-C4' energy: -82.885 flat angles C4'-P-C4' energy: -83.929 flat angles P-C4'-P energy: -41.121 tors. eta vs tors. theta energy: -19.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -505.200600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.200600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.200600 (E_RNA) where: Base-Base interactions energy: -244.191 where: short stacking energy: -136.011 Base-Backbone interact. energy: -2.665 local terms energy: -258.345051 where: bonds (distance) C4'-P energy: -67.632 bonds (distance) P-C4' energy: -91.337 flat angles C4'-P-C4' energy: -63.560 flat angles P-C4'-P energy: -44.034 tors. eta vs tors. theta energy: 8.218 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: 138 Temperature: 0.900000 Total energy: -1458.770338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.770338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.770338 (E_RNA) where: Base-Base interactions energy: -933.411 where: short stacking energy: -455.965 Base-Backbone interact. energy: -1.373 local terms energy: -523.985973 where: bonds (distance) C4'-P energy: -99.262 bonds (distance) P-C4' energy: -110.028 flat angles C4'-P-C4' energy: -112.147 flat angles P-C4'-P energy: -73.610 tors. eta vs tors. theta energy: -128.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1401.392946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.392946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.392946 (E_RNA) where: Base-Base interactions energy: -934.880 where: short stacking energy: -408.329 Base-Backbone interact. energy: -3.460 local terms energy: -463.053069 where: bonds (distance) C4'-P energy: -93.508 bonds (distance) P-C4' energy: -92.867 flat angles C4'-P-C4' energy: -98.202 flat angles P-C4'-P energy: -73.488 tors. eta vs tors. theta energy: -104.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -1262.251370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.251370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.251370 (E_RNA) where: Base-Base interactions energy: -812.137 where: short stacking energy: -393.521 Base-Backbone interact. energy: -0.831 local terms energy: -449.283737 where: bonds (distance) C4'-P energy: -102.362 bonds (distance) P-C4' energy: -82.303 flat angles C4'-P-C4' energy: -86.994 flat angles P-C4'-P energy: -75.544 tors. eta vs tors. theta energy: -102.082 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: 3 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1158.422049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.422049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.422049 (E_RNA) where: Base-Base interactions energy: -720.868 where: short stacking energy: -352.503 Base-Backbone interact. energy: -2.442 local terms energy: -435.111843 where: bonds (distance) C4'-P energy: -94.833 bonds (distance) P-C4' energy: -92.789 flat angles C4'-P-C4' energy: -87.146 flat angles P-C4'-P energy: -65.374 tors. eta vs tors. theta energy: -94.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1015.286864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.286864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.286864 (E_RNA) where: Base-Base interactions energy: -645.848 where: short stacking energy: -268.865 Base-Backbone interact. energy: -1.798 local terms energy: -367.640746 where: bonds (distance) C4'-P energy: -85.056 bonds (distance) P-C4' energy: -85.559 flat angles C4'-P-C4' energy: -80.077 flat angles P-C4'-P energy: -53.494 tors. eta vs tors. theta energy: -63.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -896.562872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.562872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.562872 (E_RNA) where: Base-Base interactions energy: -545.597 where: short stacking energy: -280.507 Base-Backbone interact. energy: 0.222 local terms energy: -351.188394 where: bonds (distance) C4'-P energy: -67.516 bonds (distance) P-C4' energy: -88.202 flat angles C4'-P-C4' energy: -84.901 flat angles P-C4'-P energy: -47.293 tors. eta vs tors. theta energy: -63.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -800.428667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.428667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.428667 (E_RNA) where: Base-Base interactions energy: -450.841 where: short stacking energy: -209.182 Base-Backbone interact. energy: -1.153 local terms energy: -348.435194 where: bonds (distance) C4'-P energy: -77.736 bonds (distance) P-C4' energy: -91.096 flat angles C4'-P-C4' energy: -82.917 flat angles P-C4'-P energy: -66.958 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: 8, replica: 1 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -648.158686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.158686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.158686 (E_RNA) where: Base-Base interactions energy: -342.013 where: short stacking energy: -187.673 Base-Backbone interact. energy: -0.713 local terms energy: -305.432544 where: bonds (distance) C4'-P energy: -86.221 bonds (distance) P-C4' energy: -89.788 flat angles C4'-P-C4' energy: -67.707 flat angles P-C4'-P energy: -41.928 tors. eta vs tors. theta energy: -19.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -620.480703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.480703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.480703 (E_RNA) where: Base-Base interactions energy: -340.314 where: short stacking energy: -191.846 Base-Backbone interact. energy: -0.881 local terms energy: -279.285797 where: bonds (distance) C4'-P energy: -65.389 bonds (distance) P-C4' energy: -69.784 flat angles C4'-P-C4' energy: -80.627 flat angles P-C4'-P energy: -40.446 tors. eta vs tors. theta energy: -23.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -485.752493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.752493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.752493 (E_RNA) where: Base-Base interactions energy: -244.439 where: short stacking energy: -128.579 Base-Backbone interact. energy: -0.347 local terms energy: -240.966814 where: bonds (distance) C4'-P energy: -74.820 bonds (distance) P-C4' energy: -83.430 flat angles C4'-P-C4' energy: -68.642 flat angles P-C4'-P energy: -26.027 tors. eta vs tors. theta energy: 11.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1431.887292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.887292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.887292 (E_RNA) where: Base-Base interactions energy: -923.406 where: short stacking energy: -439.421 Base-Backbone interact. energy: -2.919 local terms energy: -505.562496 where: bonds (distance) C4'-P energy: -97.662 bonds (distance) P-C4' energy: -98.700 flat angles C4'-P-C4' energy: -110.008 flat angles P-C4'-P energy: -67.732 tors. eta vs tors. theta energy: -131.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1426.796661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.796661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.796661 (E_RNA) where: Base-Base interactions energy: -949.864 where: short stacking energy: -415.368 Base-Backbone interact. energy: -4.270 local terms energy: -472.663060 where: bonds (distance) C4'-P energy: -93.071 bonds (distance) P-C4' energy: -95.019 flat angles C4'-P-C4' energy: -98.633 flat angles P-C4'-P energy: -74.037 tors. eta vs tors. theta energy: -111.903 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: 2 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1223.626678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.626678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.626678 (E_RNA) where: Base-Base interactions energy: -794.204 where: short stacking energy: -371.368 Base-Backbone interact. energy: 3.853 local terms energy: -433.276095 where: bonds (distance) C4'-P energy: -74.928 bonds (distance) P-C4' energy: -92.702 flat angles C4'-P-C4' energy: -101.396 flat angles P-C4'-P energy: -58.119 tors. eta vs tors. theta energy: -106.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1149.578123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.578123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.578123 (E_RNA) where: Base-Base interactions energy: -704.225 where: short stacking energy: -342.584 Base-Backbone interact. energy: -0.873 local terms energy: -444.479548 where: bonds (distance) C4'-P energy: -91.675 bonds (distance) P-C4' energy: -95.926 flat angles C4'-P-C4' energy: -93.428 flat angles P-C4'-P energy: -78.152 tors. eta vs tors. theta energy: -85.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1047.440327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.440327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.440327 (E_RNA) where: Base-Base interactions energy: -672.236 where: short stacking energy: -302.764 Base-Backbone interact. energy: -0.708 local terms energy: -374.496423 where: bonds (distance) C4'-P energy: -89.416 bonds (distance) P-C4' energy: -74.102 flat angles C4'-P-C4' energy: -90.141 flat angles P-C4'-P energy: -66.071 tors. eta vs tors. theta energy: -54.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -873.043910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.043910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.043910 (E_RNA) where: Base-Base interactions energy: -510.270 where: short stacking energy: -259.375 Base-Backbone interact. energy: 0.433 local terms energy: -363.206174 where: bonds (distance) C4'-P energy: -74.324 bonds (distance) P-C4' energy: -95.070 flat angles C4'-P-C4' energy: -98.917 flat angles P-C4'-P energy: -44.928 tors. eta vs tors. theta energy: -49.967 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: 4 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -829.639904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.639904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.639904 (E_RNA) where: Base-Base interactions energy: -495.539 where: short stacking energy: -248.959 Base-Backbone interact. energy: -0.572 local terms energy: -333.528064 where: bonds (distance) C4'-P energy: -92.796 bonds (distance) P-C4' energy: -70.601 flat angles C4'-P-C4' energy: -83.919 flat angles P-C4'-P energy: -44.280 tors. eta vs tors. theta energy: -41.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -666.829260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.829260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.829260 (E_RNA) where: Base-Base interactions energy: -354.423 where: short stacking energy: -205.442 Base-Backbone interact. energy: 4.477 local terms energy: -316.883295 where: bonds (distance) C4'-P energy: -73.869 bonds (distance) P-C4' energy: -96.789 flat angles C4'-P-C4' energy: -77.805 flat angles P-C4'-P energy: -42.986 tors. eta vs tors. theta energy: -25.435 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: 7 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -584.734828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.734828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.734828 (E_RNA) where: Base-Base interactions energy: -292.576 where: short stacking energy: -141.835 Base-Backbone interact. energy: 2.273 local terms energy: -294.432066 where: bonds (distance) C4'-P energy: -71.804 bonds (distance) P-C4' energy: -87.368 flat angles C4'-P-C4' energy: -79.768 flat angles P-C4'-P energy: -48.836 tors. eta vs tors. theta energy: -6.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -486.554259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.554259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.554259 (E_RNA) where: Base-Base interactions energy: -210.988 where: short stacking energy: -128.559 Base-Backbone interact. energy: -2.799 local terms energy: -272.767515 where: bonds (distance) C4'-P energy: -75.625 bonds (distance) P-C4' energy: -91.967 flat angles C4'-P-C4' energy: -73.105 flat angles P-C4'-P energy: -49.531 tors. eta vs tors. theta energy: 17.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1481.142287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.142287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.142287 (E_RNA) where: Base-Base interactions energy: -970.125 where: short stacking energy: -427.081 Base-Backbone interact. energy: -3.637 local terms energy: -507.379805 where: bonds (distance) C4'-P energy: -98.243 bonds (distance) P-C4' energy: -105.034 flat angles C4'-P-C4' energy: -104.701 flat angles P-C4'-P energy: -79.242 tors. eta vs tors. theta energy: -120.160 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: 5 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1374.348348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.348348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.348348 (E_RNA) where: Base-Base interactions energy: -906.958 where: short stacking energy: -435.077 Base-Backbone interact. energy: -0.214 local terms energy: -467.176960 where: bonds (distance) C4'-P energy: -80.789 bonds (distance) P-C4' energy: -92.947 flat angles C4'-P-C4' energy: -109.798 flat angles P-C4'-P energy: -58.364 tors. eta vs tors. theta energy: -125.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1234.400544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.400544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.400544 (E_RNA) where: Base-Base interactions energy: -787.116 where: short stacking energy: -375.158 Base-Backbone interact. energy: 0.106 local terms energy: -447.390811 where: bonds (distance) C4'-P energy: -93.470 bonds (distance) P-C4' energy: -89.424 flat angles C4'-P-C4' energy: -102.174 flat angles P-C4'-P energy: -56.523 tors. eta vs tors. theta energy: -105.799 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: 3 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1199.263953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.263953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.263953 (E_RNA) where: Base-Base interactions energy: -754.344 where: short stacking energy: -383.244 Base-Backbone interact. energy: -1.596 local terms energy: -443.324164 where: bonds (distance) C4'-P energy: -83.794 bonds (distance) P-C4' energy: -87.402 flat angles C4'-P-C4' energy: -98.617 flat angles P-C4'-P energy: -65.624 tors. eta vs tors. theta energy: -107.886 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: 5, replica: 9 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -1091.755509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.755509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.755509 (E_RNA) where: Base-Base interactions energy: -697.511 where: short stacking energy: -312.111 Base-Backbone interact. energy: -5.635 local terms energy: -388.609736 where: bonds (distance) C4'-P energy: -88.689 bonds (distance) P-C4' energy: -82.188 flat angles C4'-P-C4' energy: -99.891 flat angles P-C4'-P energy: -53.515 tors. eta vs tors. theta energy: -64.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -911.558240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.558240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.558240 (E_RNA) where: Base-Base interactions energy: -516.662 where: short stacking energy: -281.419 Base-Backbone interact. energy: -2.012 local terms energy: -392.884675 where: bonds (distance) C4'-P energy: -86.548 bonds (distance) P-C4' energy: -86.446 flat angles C4'-P-C4' energy: -90.229 flat angles P-C4'-P energy: -52.028 tors. eta vs tors. theta energy: -77.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -862.971702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.971702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.971702 (E_RNA) where: Base-Base interactions energy: -535.800 where: short stacking energy: -256.688 Base-Backbone interact. energy: -1.004 local terms energy: -326.168371 where: bonds (distance) C4'-P energy: -92.497 bonds (distance) P-C4' energy: -68.412 flat angles C4'-P-C4' energy: -69.268 flat angles P-C4'-P energy: -49.667 tors. eta vs tors. theta energy: -46.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -681.689184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.689184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.689184 (E_RNA) where: Base-Base interactions energy: -353.062 where: short stacking energy: -199.311 Base-Backbone interact. energy: -0.380 local terms energy: -328.247199 where: bonds (distance) C4'-P energy: -82.259 bonds (distance) P-C4' energy: -88.928 flat angles C4'-P-C4' energy: -76.162 flat angles P-C4'-P energy: -48.404 tors. eta vs tors. theta energy: -32.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -597.227561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.227561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.227561 (E_RNA) where: Base-Base interactions energy: -348.541 where: short stacking energy: -189.918 Base-Backbone interact. energy: 4.042 local terms energy: -252.727637 where: bonds (distance) C4'-P energy: -68.318 bonds (distance) P-C4' energy: -85.360 flat angles C4'-P-C4' energy: -59.161 flat angles P-C4'-P energy: -28.153 tors. eta vs tors. theta energy: -11.737 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: 8 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -460.783395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.783395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.783395 (E_RNA) where: Base-Base interactions energy: -228.178 where: short stacking energy: -129.923 Base-Backbone interact. energy: 0.210 local terms energy: -232.814862 where: bonds (distance) C4'-P energy: -74.086 bonds (distance) P-C4' energy: -76.744 flat angles C4'-P-C4' energy: -72.366 flat angles P-C4'-P energy: -23.293 tors. eta vs tors. theta energy: 13.674 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: 10 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1454.995071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.995071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.995071 (E_RNA) where: Base-Base interactions energy: -978.720 where: short stacking energy: -407.103 Base-Backbone interact. energy: -2.216 local terms energy: -474.058647 where: bonds (distance) C4'-P energy: -89.063 bonds (distance) P-C4' energy: -89.646 flat angles C4'-P-C4' energy: -110.357 flat angles P-C4'-P energy: -68.839 tors. eta vs tors. theta energy: -116.153 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: 5 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1399.510030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.510030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.510030 (E_RNA) where: Base-Base interactions energy: -904.547 where: short stacking energy: -429.018 Base-Backbone interact. energy: -0.801 local terms energy: -494.161556 where: bonds (distance) C4'-P energy: -92.641 bonds (distance) P-C4' energy: -96.262 flat angles C4'-P-C4' energy: -109.276 flat angles P-C4'-P energy: -74.265 tors. eta vs tors. theta energy: -121.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1209.227807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.227807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.227807 (E_RNA) where: Base-Base interactions energy: -774.942 where: short stacking energy: -347.719 Base-Backbone interact. energy: -0.965 local terms energy: -433.321553 where: bonds (distance) C4'-P energy: -80.732 bonds (distance) P-C4' energy: -94.729 flat angles C4'-P-C4' energy: -98.511 flat angles P-C4'-P energy: -55.675 tors. eta vs tors. theta energy: -103.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1214.464384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.464384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.464384 (E_RNA) where: Base-Base interactions energy: -767.532 where: short stacking energy: -374.710 Base-Backbone interact. energy: -0.192 local terms energy: -446.740891 where: bonds (distance) C4'-P energy: -96.148 bonds (distance) P-C4' energy: -91.705 flat angles C4'-P-C4' energy: -106.153 flat angles P-C4'-P energy: -59.018 tors. eta vs tors. theta energy: -93.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -1116.047099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.047099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.047099 (E_RNA) where: Base-Base interactions energy: -742.196 where: short stacking energy: -319.272 Base-Backbone interact. energy: -1.970 local terms energy: -371.881499 where: bonds (distance) C4'-P energy: -89.970 bonds (distance) P-C4' energy: -72.695 flat angles C4'-P-C4' energy: -88.862 flat angles P-C4'-P energy: -59.415 tors. eta vs tors. theta energy: -60.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -864.986502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.986502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.986502 (E_RNA) where: Base-Base interactions energy: -502.668 where: short stacking energy: -249.353 Base-Backbone interact. energy: 0.650 local terms energy: -362.968447 where: bonds (distance) C4'-P energy: -90.970 bonds (distance) P-C4' energy: -85.727 flat angles C4'-P-C4' energy: -97.023 flat angles P-C4'-P energy: -36.829 tors. eta vs tors. theta energy: -52.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -799.027461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.027461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.027461 (E_RNA) where: Base-Base interactions energy: -463.463 where: short stacking energy: -247.049 Base-Backbone interact. energy: -2.531 local terms energy: -333.033847 where: bonds (distance) C4'-P energy: -79.488 bonds (distance) P-C4' energy: -85.045 flat angles C4'-P-C4' energy: -90.963 flat angles P-C4'-P energy: -33.986 tors. eta vs tors. theta energy: -43.552 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: 1 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -720.749810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.749810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.749810 (E_RNA) where: Base-Base interactions energy: -381.717 where: short stacking energy: -221.551 Base-Backbone interact. energy: -0.442 local terms energy: -338.590668 where: bonds (distance) C4'-P energy: -78.842 bonds (distance) P-C4' energy: -73.103 flat angles C4'-P-C4' energy: -83.378 flat angles P-C4'-P energy: -70.178 tors. eta vs tors. theta energy: -33.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -591.081473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.081473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.081473 (E_RNA) where: Base-Base interactions energy: -322.769 where: short stacking energy: -143.258 Base-Backbone interact. energy: -0.172 local terms energy: -268.141235 where: bonds (distance) C4'-P energy: -81.231 bonds (distance) P-C4' energy: -80.192 flat angles C4'-P-C4' energy: -64.190 flat angles P-C4'-P energy: -47.410 tors. eta vs tors. theta energy: 4.882 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: 10, replica: 8 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -488.511803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.511803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.511803 (E_RNA) where: Base-Base interactions energy: -220.548 where: short stacking energy: -145.853 Base-Backbone interact. energy: -1.644 local terms energy: -266.319281 where: bonds (distance) C4'-P energy: -88.084 bonds (distance) P-C4' energy: -80.862 flat angles C4'-P-C4' energy: -66.492 flat angles P-C4'-P energy: -43.339 tors. eta vs tors. theta energy: 12.458 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: 10 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1476.534935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.534935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.534935 (E_RNA) where: Base-Base interactions energy: -999.092 where: short stacking energy: -432.464 Base-Backbone interact. energy: -5.075 local terms energy: -472.368522 where: bonds (distance) C4'-P energy: -90.238 bonds (distance) P-C4' energy: -102.103 flat angles C4'-P-C4' energy: -94.784 flat angles P-C4'-P energy: -53.191 tors. eta vs tors. theta energy: -132.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1411.961814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.961814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.961814 (E_RNA) where: Base-Base interactions energy: -938.956 where: short stacking energy: -451.332 Base-Backbone interact. energy: -3.850 local terms energy: -469.156157 where: bonds (distance) C4'-P energy: -86.530 bonds (distance) P-C4' energy: -92.200 flat angles C4'-P-C4' energy: -95.421 flat angles P-C4'-P energy: -63.851 tors. eta vs tors. theta energy: -131.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1247.392475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.392475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.392475 (E_RNA) where: Base-Base interactions energy: -777.394 where: short stacking energy: -373.681 Base-Backbone interact. energy: 2.366 local terms energy: -472.364407 where: bonds (distance) C4'-P energy: -82.910 bonds (distance) P-C4' energy: -99.500 flat angles C4'-P-C4' energy: -111.006 flat angles P-C4'-P energy: -77.134 tors. eta vs tors. theta energy: -101.814 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: 142 Temperature: 1.050000 Total energy: -1197.649028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.649028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.649028 (E_RNA) where: Base-Base interactions energy: -754.751 where: short stacking energy: -371.283 Base-Backbone interact. energy: -1.112 local terms energy: -441.786281 where: bonds (distance) C4'-P energy: -94.177 bonds (distance) P-C4' energy: -92.913 flat angles C4'-P-C4' energy: -90.649 flat angles P-C4'-P energy: -69.469 tors. eta vs tors. theta energy: -94.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1136.173033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.173033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.173033 (E_RNA) where: Base-Base interactions energy: -755.734 where: short stacking energy: -311.393 Base-Backbone interact. energy: -1.386 local terms energy: -379.053018 where: bonds (distance) C4'-P energy: -77.528 bonds (distance) P-C4' energy: -84.859 flat angles C4'-P-C4' energy: -95.318 flat angles P-C4'-P energy: -63.834 tors. eta vs tors. theta energy: -57.515 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: 4 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -856.922097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.922097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.922097 (E_RNA) where: Base-Base interactions energy: -525.668 where: short stacking energy: -263.211 Base-Backbone interact. energy: 2.111 local terms energy: -333.365301 where: bonds (distance) C4'-P energy: -86.821 bonds (distance) P-C4' energy: -75.583 flat angles C4'-P-C4' energy: -77.346 flat angles P-C4'-P energy: -52.616 tors. eta vs tors. theta energy: -40.999 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: 6 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -843.585623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.585623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.585623 (E_RNA) where: Base-Base interactions energy: -520.021 where: short stacking energy: -254.819 Base-Backbone interact. energy: -1.533 local terms energy: -322.031496 where: bonds (distance) C4'-P energy: -69.978 bonds (distance) P-C4' energy: -79.053 flat angles C4'-P-C4' energy: -78.169 flat angles P-C4'-P energy: -50.885 tors. eta vs tors. theta energy: -43.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -667.595789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.595789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.595789 (E_RNA) where: Base-Base interactions energy: -350.374 where: short stacking energy: -188.920 Base-Backbone interact. energy: 0.301 local terms energy: -317.523079 where: bonds (distance) C4'-P energy: -83.867 bonds (distance) P-C4' energy: -81.026 flat angles C4'-P-C4' energy: -91.072 flat angles P-C4'-P energy: -43.774 tors. eta vs tors. theta energy: -17.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -581.860245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.860245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.860245 (E_RNA) where: Base-Base interactions energy: -294.440 where: short stacking energy: -171.012 Base-Backbone interact. energy: 2.535 local terms energy: -289.954631 where: bonds (distance) C4'-P energy: -83.171 bonds (distance) P-C4' energy: -64.160 flat angles C4'-P-C4' energy: -74.087 flat angles P-C4'-P energy: -48.899 tors. eta vs tors. theta energy: -19.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -502.902593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.902593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.902593 (E_RNA) where: Base-Base interactions energy: -252.577 where: short stacking energy: -136.046 Base-Backbone interact. energy: 0.485 local terms energy: -250.809665 where: bonds (distance) C4'-P energy: -70.681 bonds (distance) P-C4' energy: -95.142 flat angles C4'-P-C4' energy: -68.874 flat angles P-C4'-P energy: -25.006 tors. eta vs tors. theta energy: 8.894 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: 10 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1468.922375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.922375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.922375 (E_RNA) where: Base-Base interactions energy: -971.486 where: short stacking energy: -448.354 Base-Backbone interact. energy: -5.125 local terms energy: -492.311345 where: bonds (distance) C4'-P energy: -90.587 bonds (distance) P-C4' energy: -81.153 flat angles C4'-P-C4' energy: -111.725 flat angles P-C4'-P energy: -72.659 tors. eta vs tors. theta energy: -136.188 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: 5 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1415.761165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.761165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.761165 (E_RNA) where: Base-Base interactions energy: -916.233 where: short stacking energy: -457.133 Base-Backbone interact. energy: -1.836 local terms energy: -497.692692 where: bonds (distance) C4'-P energy: -95.598 bonds (distance) P-C4' energy: -94.674 flat angles C4'-P-C4' energy: -106.776 flat angles P-C4'-P energy: -60.172 tors. eta vs tors. theta energy: -140.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1240.205316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.205316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.205316 (E_RNA) where: Base-Base interactions energy: -803.536 where: short stacking energy: -396.026 Base-Backbone interact. energy: -0.538 local terms energy: -436.131635 where: bonds (distance) C4'-P energy: -89.705 bonds (distance) P-C4' energy: -69.386 flat angles C4'-P-C4' energy: -98.136 flat angles P-C4'-P energy: -73.011 tors. eta vs tors. theta energy: -105.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -1205.627389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.627389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.627389 (E_RNA) where: Base-Base interactions energy: -794.231 where: short stacking energy: -335.690 Base-Backbone interact. energy: 0.492 local terms energy: -411.888879 where: bonds (distance) C4'-P energy: -80.972 bonds (distance) P-C4' energy: -95.554 flat angles C4'-P-C4' energy: -91.608 flat angles P-C4'-P energy: -62.796 tors. eta vs tors. theta energy: -80.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1156.065702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.065702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.065702 (E_RNA) where: Base-Base interactions energy: -716.369 where: short stacking energy: -339.072 Base-Backbone interact. energy: -1.135 local terms energy: -438.560990 where: bonds (distance) C4'-P energy: -93.969 bonds (distance) P-C4' energy: -99.111 flat angles C4'-P-C4' energy: -88.286 flat angles P-C4'-P energy: -57.347 tors. eta vs tors. theta energy: -99.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -938.513163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.513163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.513163 (E_RNA) where: Base-Base interactions energy: -567.832 where: short stacking energy: -279.693 Base-Backbone interact. energy: 1.310 local terms energy: -371.991624 where: bonds (distance) C4'-P energy: -85.574 bonds (distance) P-C4' energy: -80.415 flat angles C4'-P-C4' energy: -98.541 flat angles P-C4'-P energy: -53.703 tors. eta vs tors. theta energy: -53.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -836.261180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.261180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.261180 (E_RNA) where: Base-Base interactions energy: -532.872 where: short stacking energy: -254.346 Base-Backbone interact. energy: 2.690 local terms energy: -306.079334 where: bonds (distance) C4'-P energy: -58.608 bonds (distance) P-C4' energy: -91.785 flat angles C4'-P-C4' energy: -67.616 flat angles P-C4'-P energy: -43.622 tors. eta vs tors. theta energy: -44.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -646.686236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.686236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.686236 (E_RNA) where: Base-Base interactions energy: -351.556 where: short stacking energy: -182.829 Base-Backbone interact. energy: 0.103 local terms energy: -295.232563 where: bonds (distance) C4'-P energy: -87.647 bonds (distance) P-C4' energy: -83.814 flat angles C4'-P-C4' energy: -69.158 flat angles P-C4'-P energy: -49.530 tors. eta vs tors. theta energy: -5.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -542.667087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.667087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.667087 (E_RNA) where: Base-Base interactions energy: -261.237 where: short stacking energy: -148.707 Base-Backbone interact. energy: 4.161 local terms energy: -285.591226 where: bonds (distance) C4'-P energy: -80.752 bonds (distance) P-C4' energy: -88.609 flat angles C4'-P-C4' energy: -66.975 flat angles P-C4'-P energy: -46.081 tors. eta vs tors. theta energy: -3.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -465.194962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.194962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.194962 (E_RNA) where: Base-Base interactions energy: -226.407 where: short stacking energy: -139.167 Base-Backbone interact. energy: 4.172 local terms energy: -242.960033 where: bonds (distance) C4'-P energy: -65.172 bonds (distance) P-C4' energy: -72.363 flat angles C4'-P-C4' energy: -72.930 flat angles P-C4'-P energy: -34.768 tors. eta vs tors. theta energy: 2.274 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: 10 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1482.057717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.057717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.057717 (E_RNA) where: Base-Base interactions energy: -1001.182 where: short stacking energy: -443.780 Base-Backbone interact. energy: -3.484 local terms energy: -477.390903 where: bonds (distance) C4'-P energy: -92.524 bonds (distance) P-C4' energy: -88.223 flat angles C4'-P-C4' energy: -105.302 flat angles P-C4'-P energy: -64.256 tors. eta vs tors. theta energy: -127.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1446.389986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.389986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.389986 (E_RNA) where: Base-Base interactions energy: -929.756 where: short stacking energy: -435.326 Base-Backbone interact. energy: -0.264 local terms energy: -516.370893 where: bonds (distance) C4'-P energy: -101.191 bonds (distance) P-C4' energy: -101.810 flat angles C4'-P-C4' energy: -116.941 flat angles P-C4'-P energy: -63.391 tors. eta vs tors. theta energy: -133.038 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: 3 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1263.507184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.507184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.507184 (E_RNA) where: Base-Base interactions energy: -800.500 where: short stacking energy: -391.848 Base-Backbone interact. energy: -1.004 local terms energy: -462.002841 where: bonds (distance) C4'-P energy: -89.146 bonds (distance) P-C4' energy: -88.173 flat angles C4'-P-C4' energy: -101.143 flat angles P-C4'-P energy: -76.801 tors. eta vs tors. theta energy: -106.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1247.298288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.298288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.298288 (E_RNA) where: Base-Base interactions energy: -801.737 where: short stacking energy: -364.096 Base-Backbone interact. energy: -1.675 local terms energy: -443.885967 where: bonds (distance) C4'-P energy: -78.515 bonds (distance) P-C4' energy: -91.209 flat angles C4'-P-C4' energy: -111.358 flat angles P-C4'-P energy: -65.855 tors. eta vs tors. theta energy: -96.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -1091.624085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.624085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.624085 (E_RNA) where: Base-Base interactions energy: -705.968 where: short stacking energy: -322.942 Base-Backbone interact. energy: -2.302 local terms energy: -383.353941 where: bonds (distance) C4'-P energy: -80.125 bonds (distance) P-C4' energy: -82.719 flat angles C4'-P-C4' energy: -85.547 flat angles P-C4'-P energy: -47.169 tors. eta vs tors. theta energy: -87.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -948.561980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.561980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.561980 (E_RNA) where: Base-Base interactions energy: -559.457 where: short stacking energy: -279.671 Base-Backbone interact. energy: -2.005 local terms energy: -387.100158 where: bonds (distance) C4'-P energy: -74.783 bonds (distance) P-C4' energy: -98.729 flat angles C4'-P-C4' energy: -90.937 flat angles P-C4'-P energy: -46.811 tors. eta vs tors. theta energy: -75.840 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: 144 Temperature: 1.200000 Total energy: -776.269447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.269447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.269447 (E_RNA) where: Base-Base interactions energy: -449.052 where: short stacking energy: -211.038 Base-Backbone interact. energy: -1.321 local terms energy: -325.896202 where: bonds (distance) C4'-P energy: -88.882 bonds (distance) P-C4' energy: -85.749 flat angles C4'-P-C4' energy: -72.338 flat angles P-C4'-P energy: -51.357 tors. eta vs tors. theta energy: -27.570 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: 8, replica: 1 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -678.946212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.946212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.946212 (E_RNA) where: Base-Base interactions energy: -353.066 where: short stacking energy: -195.549 Base-Backbone interact. energy: -1.876 local terms energy: -324.004598 where: bonds (distance) C4'-P energy: -78.379 bonds (distance) P-C4' energy: -91.257 flat angles C4'-P-C4' energy: -76.027 flat angles P-C4'-P energy: -51.853 tors. eta vs tors. theta energy: -26.488 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: 7 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -561.477767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.477767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.477767 (E_RNA) where: Base-Base interactions energy: -264.726 where: short stacking energy: -154.326 Base-Backbone interact. energy: -0.217 local terms energy: -296.534992 where: bonds (distance) C4'-P energy: -74.358 bonds (distance) P-C4' energy: -83.483 flat angles C4'-P-C4' energy: -68.808 flat angles P-C4'-P energy: -65.737 tors. eta vs tors. theta energy: -4.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -458.231533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.231533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.231533 (E_RNA) where: Base-Base interactions energy: -202.688 where: short stacking energy: -115.802 Base-Backbone interact. energy: 3.330 local terms energy: -258.874289 where: bonds (distance) C4'-P energy: -74.790 bonds (distance) P-C4' energy: -78.914 flat angles C4'-P-C4' energy: -82.628 flat angles P-C4'-P energy: -31.249 tors. eta vs tors. theta energy: 8.706 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: 10 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1467.195137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.195137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.195137 (E_RNA) where: Base-Base interactions energy: -987.295 where: short stacking energy: -453.460 Base-Backbone interact. energy: 7.811 local terms energy: -487.711785 where: bonds (distance) C4'-P energy: -88.961 bonds (distance) P-C4' energy: -101.130 flat angles C4'-P-C4' energy: -110.906 flat angles P-C4'-P energy: -65.380 tors. eta vs tors. theta energy: -121.334 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: 5 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1465.164788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.164788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.164788 (E_RNA) where: Base-Base interactions energy: -942.599 where: short stacking energy: -456.825 Base-Backbone interact. energy: -1.863 local terms energy: -520.702365 where: bonds (distance) C4'-P energy: -98.868 bonds (distance) P-C4' energy: -105.652 flat angles C4'-P-C4' energy: -105.274 flat angles P-C4'-P energy: -68.444 tors. eta vs tors. theta energy: -142.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1259.358739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.358739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.358739 (E_RNA) where: Base-Base interactions energy: -797.916 where: short stacking energy: -392.276 Base-Backbone interact. energy: -0.364 local terms energy: -461.079197 where: bonds (distance) C4'-P energy: -89.552 bonds (distance) P-C4' energy: -97.272 flat angles C4'-P-C4' energy: -99.713 flat angles P-C4'-P energy: -63.405 tors. eta vs tors. theta energy: -111.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1231.976129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.976129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.976129 (E_RNA) where: Base-Base interactions energy: -795.360 where: short stacking energy: -337.867 Base-Backbone interact. energy: 1.603 local terms energy: -438.219297 where: bonds (distance) C4'-P energy: -98.363 bonds (distance) P-C4' energy: -86.664 flat angles C4'-P-C4' energy: -101.149 flat angles P-C4'-P energy: -64.655 tors. eta vs tors. theta energy: -87.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1013.322677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.322677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.322677 (E_RNA) where: Base-Base interactions energy: -617.522 where: short stacking energy: -301.311 Base-Backbone interact. energy: 0.080 local terms energy: -395.880351 where: bonds (distance) C4'-P energy: -89.074 bonds (distance) P-C4' energy: -93.600 flat angles C4'-P-C4' energy: -83.302 flat angles P-C4'-P energy: -56.513 tors. eta vs tors. theta energy: -73.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -938.767773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.767773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.767773 (E_RNA) where: Base-Base interactions energy: -568.846 where: short stacking energy: -280.075 Base-Backbone interact. energy: -0.752 local terms energy: -369.169768 where: bonds (distance) C4'-P energy: -80.059 bonds (distance) P-C4' energy: -98.518 flat angles C4'-P-C4' energy: -81.170 flat angles P-C4'-P energy: -49.259 tors. eta vs tors. theta energy: -60.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -791.273971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.273971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.273971 (E_RNA) where: Base-Base interactions energy: -448.880 where: short stacking energy: -221.526 Base-Backbone interact. energy: -1.638 local terms energy: -340.756571 where: bonds (distance) C4'-P energy: -79.532 bonds (distance) P-C4' energy: -93.249 flat angles C4'-P-C4' energy: -84.124 flat angles P-C4'-P energy: -59.239 tors. eta vs tors. theta energy: -24.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -728.868474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.868474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.868474 (E_RNA) where: Base-Base interactions energy: -425.188 where: short stacking energy: -221.930 Base-Backbone interact. energy: 7.611 local terms energy: -311.291433 where: bonds (distance) C4'-P energy: -73.671 bonds (distance) P-C4' energy: -73.874 flat angles C4'-P-C4' energy: -69.234 flat angles P-C4'-P energy: -56.180 tors. eta vs tors. theta energy: -38.332 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: 145 Temperature: 1.300000 Total energy: -546.624974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.624974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.624974 (E_RNA) where: Base-Base interactions energy: -253.729 where: short stacking energy: -149.847 Base-Backbone interact. energy: -0.838 local terms energy: -292.057150 where: bonds (distance) C4'-P energy: -71.526 bonds (distance) P-C4' energy: -78.245 flat angles C4'-P-C4' energy: -80.204 flat angles P-C4'-P energy: -53.879 tors. eta vs tors. theta energy: -8.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -493.056540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.056540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.056540 (E_RNA) where: Base-Base interactions energy: -228.432 where: short stacking energy: -152.070 Base-Backbone interact. energy: -1.424 local terms energy: -263.200118 where: bonds (distance) C4'-P energy: -72.247 bonds (distance) P-C4' energy: -81.836 flat angles C4'-P-C4' energy: -64.476 flat angles P-C4'-P energy: -45.803 tors. eta vs tors. theta energy: 1.163 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: 10 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1461.634409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.634409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.634409 (E_RNA) where: Base-Base interactions energy: -965.460 where: short stacking energy: -448.020 Base-Backbone interact. energy: -1.451 local terms energy: -494.723650 where: bonds (distance) C4'-P energy: -94.620 bonds (distance) P-C4' energy: -100.008 flat angles C4'-P-C4' energy: -113.672 flat angles P-C4'-P energy: -62.846 tors. eta vs tors. theta energy: -123.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1426.076807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.076807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.076807 (E_RNA) where: Base-Base interactions energy: -939.059 where: short stacking energy: -448.481 Base-Backbone interact. energy: -2.410 local terms energy: -484.608258 where: bonds (distance) C4'-P energy: -89.294 bonds (distance) P-C4' energy: -86.952 flat angles C4'-P-C4' energy: -98.521 flat angles P-C4'-P energy: -80.681 tors. eta vs tors. theta energy: -129.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1285.533293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.533293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.533293 (E_RNA) where: Base-Base interactions energy: -827.411 where: short stacking energy: -373.542 Base-Backbone interact. energy: -1.305 local terms energy: -456.816770 where: bonds (distance) C4'-P energy: -88.356 bonds (distance) P-C4' energy: -86.108 flat angles C4'-P-C4' energy: -108.155 flat angles P-C4'-P energy: -65.388 tors. eta vs tors. theta energy: -108.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1211.474952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.474952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.474952 (E_RNA) where: Base-Base interactions energy: -780.955 where: short stacking energy: -364.488 Base-Backbone interact. energy: -1.262 local terms energy: -429.257008 where: bonds (distance) C4'-P energy: -90.364 bonds (distance) P-C4' energy: -91.273 flat angles C4'-P-C4' energy: -95.890 flat angles P-C4'-P energy: -60.133 tors. eta vs tors. theta energy: -91.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -965.713106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.713106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.713106 (E_RNA) where: Base-Base interactions energy: -589.363 where: short stacking energy: -286.495 Base-Backbone interact. energy: -0.674 local terms energy: -375.675940 where: bonds (distance) C4'-P energy: -87.913 bonds (distance) P-C4' energy: -95.337 flat angles C4'-P-C4' energy: -75.007 flat angles P-C4'-P energy: -60.806 tors. eta vs tors. theta energy: -56.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -957.054413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.054413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.054413 (E_RNA) where: Base-Base interactions energy: -600.641 where: short stacking energy: -281.868 Base-Backbone interact. energy: 1.694 local terms energy: -358.107745 where: bonds (distance) C4'-P energy: -88.025 bonds (distance) P-C4' energy: -87.774 flat angles C4'-P-C4' energy: -71.514 flat angles P-C4'-P energy: -47.315 tors. eta vs tors. theta energy: -63.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -808.738719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.738719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.738719 (E_RNA) where: Base-Base interactions energy: -468.619 where: short stacking energy: -243.461 Base-Backbone interact. energy: -2.238 local terms energy: -337.881909 where: bonds (distance) C4'-P energy: -76.926 bonds (distance) P-C4' energy: -91.823 flat angles C4'-P-C4' energy: -77.470 flat angles P-C4'-P energy: -54.058 tors. eta vs tors. theta energy: -37.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -685.073355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.073355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.073355 (E_RNA) where: Base-Base interactions energy: -397.031 where: short stacking energy: -210.680 Base-Backbone interact. energy: -3.061 local terms energy: -284.981134 where: bonds (distance) C4'-P energy: -84.716 bonds (distance) P-C4' energy: -85.447 flat angles C4'-P-C4' energy: -63.104 flat angles P-C4'-P energy: -33.084 tors. eta vs tors. theta energy: -18.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -540.550098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.550098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.550098 (E_RNA) where: Base-Base interactions energy: -231.026 where: short stacking energy: -138.982 Base-Backbone interact. energy: 1.782 local terms energy: -311.306351 where: bonds (distance) C4'-P energy: -77.851 bonds (distance) P-C4' energy: -80.568 flat angles C4'-P-C4' energy: -88.078 flat angles P-C4'-P energy: -50.681 tors. eta vs tors. theta energy: -14.128 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: 8 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -491.640750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.640750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.640750 (E_RNA) where: Base-Base interactions energy: -226.678 where: short stacking energy: -119.984 Base-Backbone interact. energy: -0.671 local terms energy: -264.292125 where: bonds (distance) C4'-P energy: -71.310 bonds (distance) P-C4' energy: -96.353 flat angles C4'-P-C4' energy: -65.965 flat angles P-C4'-P energy: -34.715 tors. eta vs tors. theta energy: 4.052 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: 10 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1467.611677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.611677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.611677 (E_RNA) where: Base-Base interactions energy: -986.577 where: short stacking energy: -423.696 Base-Backbone interact. energy: -1.805 local terms energy: -479.229331 where: bonds (distance) C4'-P energy: -97.337 bonds (distance) P-C4' energy: -100.268 flat angles C4'-P-C4' energy: -104.905 flat angles P-C4'-P energy: -67.072 tors. eta vs tors. theta energy: -109.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1416.119466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.119466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.119466 (E_RNA) where: Base-Base interactions energy: -927.507 where: short stacking energy: -458.284 Base-Backbone interact. energy: -1.382 local terms energy: -487.229875 where: bonds (distance) C4'-P energy: -92.657 bonds (distance) P-C4' energy: -93.791 flat angles C4'-P-C4' energy: -98.350 flat angles P-C4'-P energy: -64.939 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: 3, replica: 9 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1277.153647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.153647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.153647 (E_RNA) where: Base-Base interactions energy: -802.308 where: short stacking energy: -367.771 Base-Backbone interact. energy: -3.256 local terms energy: -471.589494 where: bonds (distance) C4'-P energy: -96.690 bonds (distance) P-C4' energy: -98.035 flat angles C4'-P-C4' energy: -113.635 flat angles P-C4'-P energy: -68.450 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: 4, replica: 3 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1206.604571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.604571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.604571 (E_RNA) where: Base-Base interactions energy: -748.389 where: short stacking energy: -365.986 Base-Backbone interact. energy: 1.048 local terms energy: -459.263587 where: bonds (distance) C4'-P energy: -86.862 bonds (distance) P-C4' energy: -101.545 flat angles C4'-P-C4' energy: -97.080 flat angles P-C4'-P energy: -67.493 tors. eta vs tors. theta energy: -106.283 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: 5, replica: 6 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -1065.636427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.636427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.636427 (E_RNA) where: Base-Base interactions energy: -658.571 where: short stacking energy: -326.571 Base-Backbone interact. energy: -1.540 local terms energy: -405.524857 where: bonds (distance) C4'-P energy: -97.685 bonds (distance) P-C4' energy: -78.244 flat angles C4'-P-C4' energy: -96.460 flat angles P-C4'-P energy: -54.444 tors. eta vs tors. theta energy: -78.693 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: 147 Temperature: 1.150000 Total energy: -941.160537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.160537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.160537 (E_RNA) where: Base-Base interactions energy: -551.842 where: short stacking energy: -276.743 Base-Backbone interact. energy: -0.251 local terms energy: -389.067280 where: bonds (distance) C4'-P energy: -78.075 bonds (distance) P-C4' energy: -86.994 flat angles C4'-P-C4' energy: -103.243 flat angles P-C4'-P energy: -49.258 tors. eta vs tors. theta energy: -71.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -762.967582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.967582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.967582 (E_RNA) where: Base-Base interactions energy: -420.740 where: short stacking energy: -203.412 Base-Backbone interact. energy: -1.538 local terms energy: -340.689467 where: bonds (distance) C4'-P energy: -81.508 bonds (distance) P-C4' energy: -89.019 flat angles C4'-P-C4' energy: -79.986 flat angles P-C4'-P energy: -50.963 tors. eta vs tors. theta energy: -39.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -658.421189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.421189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.421189 (E_RNA) where: Base-Base interactions energy: -342.061 where: short stacking energy: -188.758 Base-Backbone interact. energy: -1.819 local terms energy: -314.540504 where: bonds (distance) C4'-P energy: -83.615 bonds (distance) P-C4' energy: -95.239 flat angles C4'-P-C4' energy: -79.275 flat angles P-C4'-P energy: -48.480 tors. eta vs tors. theta energy: -7.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -510.218423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.218423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.218423 (E_RNA) where: Base-Base interactions energy: -246.089 where: short stacking energy: -157.945 Base-Backbone interact. energy: -2.270 local terms energy: -261.859207 where: bonds (distance) C4'-P energy: -81.322 bonds (distance) P-C4' energy: -71.528 flat angles C4'-P-C4' energy: -59.978 flat angles P-C4'-P energy: -39.218 tors. eta vs tors. theta energy: -9.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -486.527750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.527750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.527750 (E_RNA) where: Base-Base interactions energy: -245.061 where: short stacking energy: -128.485 Base-Backbone interact. energy: 6.622 local terms energy: -248.088991 where: bonds (distance) C4'-P energy: -69.721 bonds (distance) P-C4' energy: -86.890 flat angles C4'-P-C4' energy: -70.163 flat angles P-C4'-P energy: -36.447 tors. eta vs tors. theta energy: 15.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1479.838070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.838070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.838070 (E_RNA) where: Base-Base interactions energy: -951.132 where: short stacking energy: -434.791 Base-Backbone interact. energy: -2.083 local terms energy: -526.623181 where: bonds (distance) C4'-P energy: -95.897 bonds (distance) P-C4' energy: -101.136 flat angles C4'-P-C4' energy: -106.079 flat angles P-C4'-P energy: -82.844 tors. eta vs tors. theta energy: -140.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1416.961924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.961924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.961924 (E_RNA) where: Base-Base interactions energy: -952.712 where: short stacking energy: -426.288 Base-Backbone interact. energy: -2.280 local terms energy: -461.969469 where: bonds (distance) C4'-P energy: -86.911 bonds (distance) P-C4' energy: -97.076 flat angles C4'-P-C4' energy: -100.665 flat angles P-C4'-P energy: -66.279 tors. eta vs tors. theta energy: -111.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1264.961644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.961644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.961644 (E_RNA) where: Base-Base interactions energy: -833.980 where: short stacking energy: -393.630 Base-Backbone interact. energy: -1.169 local terms energy: -429.812400 where: bonds (distance) C4'-P energy: -93.658 bonds (distance) P-C4' energy: -85.359 flat angles C4'-P-C4' energy: -95.566 flat angles P-C4'-P energy: -54.300 tors. eta vs tors. theta energy: -100.929 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: 4, replica: 3 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1197.642890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.642890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.642890 (E_RNA) where: Base-Base interactions energy: -775.318 where: short stacking energy: -371.598 Base-Backbone interact. energy: -1.677 local terms energy: -420.647773 where: bonds (distance) C4'-P energy: -96.252 bonds (distance) P-C4' energy: -85.393 flat angles C4'-P-C4' energy: -84.989 flat angles P-C4'-P energy: -58.361 tors. eta vs tors. theta energy: -95.652 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: 6 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1041.716678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.716678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.716678 (E_RNA) where: Base-Base interactions energy: -657.354 where: short stacking energy: -330.249 Base-Backbone interact. energy: -2.576 local terms energy: -381.787261 where: bonds (distance) C4'-P energy: -82.698 bonds (distance) P-C4' energy: -68.307 flat angles C4'-P-C4' energy: -101.628 flat angles P-C4'-P energy: -57.010 tors. eta vs tors. theta energy: -72.145 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: 2 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1015.542634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.542634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.542634 (E_RNA) where: Base-Base interactions energy: -635.137 where: short stacking energy: -303.146 Base-Backbone interact. energy: -3.041 local terms energy: -377.363974 where: bonds (distance) C4'-P energy: -80.801 bonds (distance) P-C4' energy: -79.716 flat angles C4'-P-C4' energy: -92.423 flat angles P-C4'-P energy: -44.720 tors. eta vs tors. theta energy: -79.704 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: 4 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -794.694131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.694131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.694131 (E_RNA) where: Base-Base interactions energy: -447.157 where: short stacking energy: -221.459 Base-Backbone interact. energy: -1.060 local terms energy: -346.477044 where: bonds (distance) C4'-P energy: -93.306 bonds (distance) P-C4' energy: -78.123 flat angles C4'-P-C4' energy: -78.802 flat angles P-C4'-P energy: -63.296 tors. eta vs tors. theta energy: -32.950 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: 1 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -644.689135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.689135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.689135 (E_RNA) where: Base-Base interactions energy: -336.693 where: short stacking energy: -185.129 Base-Backbone interact. energy: -0.421 local terms energy: -307.575764 where: bonds (distance) C4'-P energy: -79.403 bonds (distance) P-C4' energy: -89.787 flat angles C4'-P-C4' energy: -89.908 flat angles P-C4'-P energy: -38.884 tors. eta vs tors. theta energy: -9.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -584.327952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.327952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.327952 (E_RNA) where: Base-Base interactions energy: -309.686 where: short stacking energy: -175.986 Base-Backbone interact. energy: -1.544 local terms energy: -273.098122 where: bonds (distance) C4'-P energy: -81.100 bonds (distance) P-C4' energy: -79.504 flat angles C4'-P-C4' energy: -66.600 flat angles P-C4'-P energy: -34.998 tors. eta vs tors. theta energy: -10.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -480.799317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.799317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.799317 (E_RNA) where: Base-Base interactions energy: -233.033 where: short stacking energy: -136.916 Base-Backbone interact. energy: 1.487 local terms energy: -249.252960 where: bonds (distance) C4'-P energy: -53.539 bonds (distance) P-C4' energy: -78.505 flat angles C4'-P-C4' energy: -85.333 flat angles P-C4'-P energy: -46.922 tors. eta vs tors. theta energy: 15.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1464.893325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.893325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.893325 (E_RNA) where: Base-Base interactions energy: -959.228 where: short stacking energy: -436.048 Base-Backbone interact. energy: 0.432 local terms energy: -506.097524 where: bonds (distance) C4'-P energy: -97.050 bonds (distance) P-C4' energy: -89.315 flat angles C4'-P-C4' energy: -110.656 flat angles P-C4'-P energy: -75.932 tors. eta vs tors. theta energy: -133.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1375.816627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.816627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.816627 (E_RNA) where: Base-Base interactions energy: -899.842 where: short stacking energy: -417.076 Base-Backbone interact. energy: -2.792 local terms energy: -473.182479 where: bonds (distance) C4'-P energy: -98.297 bonds (distance) P-C4' energy: -106.780 flat angles C4'-P-C4' energy: -95.775 flat angles P-C4'-P energy: -61.258 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: 3, replica: 9 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1278.437226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.437226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.437226 (E_RNA) where: Base-Base interactions energy: -813.803 where: short stacking energy: -372.694 Base-Backbone interact. energy: -2.399 local terms energy: -462.235209 where: bonds (distance) C4'-P energy: -94.967 bonds (distance) P-C4' energy: -87.154 flat angles C4'-P-C4' energy: -109.335 flat angles P-C4'-P energy: -76.729 tors. eta vs tors. theta energy: -94.049 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: 4, replica: 3 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1172.873507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.873507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.873507 (E_RNA) where: Base-Base interactions energy: -744.502 where: short stacking energy: -339.660 Base-Backbone interact. energy: -2.649 local terms energy: -425.722606 where: bonds (distance) C4'-P energy: -84.742 bonds (distance) P-C4' energy: -84.699 flat angles C4'-P-C4' energy: -102.010 flat angles P-C4'-P energy: -72.660 tors. eta vs tors. theta energy: -81.611 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: 6 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -1086.946251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.946251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.946251 (E_RNA) where: Base-Base interactions energy: -679.584 where: short stacking energy: -334.897 Base-Backbone interact. energy: -2.906 local terms energy: -404.456428 where: bonds (distance) C4'-P energy: -82.074 bonds (distance) P-C4' energy: -98.076 flat angles C4'-P-C4' energy: -92.530 flat angles P-C4'-P energy: -48.700 tors. eta vs tors. theta energy: -83.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1010.595286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.595286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.595286 (E_RNA) where: Base-Base interactions energy: -620.225 where: short stacking energy: -296.317 Base-Backbone interact. energy: -2.992 local terms energy: -387.378296 where: bonds (distance) C4'-P energy: -72.794 bonds (distance) P-C4' energy: -69.357 flat angles C4'-P-C4' energy: -91.567 flat angles P-C4'-P energy: -64.315 tors. eta vs tors. theta energy: -89.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -800.329133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.329133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.329133 (E_RNA) where: Base-Base interactions energy: -478.749 where: short stacking energy: -252.014 Base-Backbone interact. energy: -0.739 local terms energy: -320.841055 where: bonds (distance) C4'-P energy: -78.476 bonds (distance) P-C4' energy: -76.594 flat angles C4'-P-C4' energy: -74.856 flat angles P-C4'-P energy: -42.857 tors. eta vs tors. theta energy: -48.058 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: 1 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -678.127926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.127926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.127926 (E_RNA) where: Base-Base interactions energy: -389.927 where: short stacking energy: -208.423 Base-Backbone interact. energy: 0.018 local terms energy: -288.218823 where: bonds (distance) C4'-P energy: -65.992 bonds (distance) P-C4' energy: -89.047 flat angles C4'-P-C4' energy: -76.429 flat angles P-C4'-P energy: -31.798 tors. eta vs tors. theta energy: -24.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -594.787466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.787466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.787466 (E_RNA) where: Base-Base interactions energy: -284.951 where: short stacking energy: -171.873 Base-Backbone interact. energy: -0.752 local terms energy: -309.084575 where: bonds (distance) C4'-P energy: -79.120 bonds (distance) P-C4' energy: -86.945 flat angles C4'-P-C4' energy: -84.157 flat angles P-C4'-P energy: -49.391 tors. eta vs tors. theta energy: -9.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -481.143713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.143713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.143713 (E_RNA) where: Base-Base interactions energy: -238.582 where: short stacking energy: -146.116 Base-Backbone interact. energy: -2.391 local terms energy: -240.170009 where: bonds (distance) C4'-P energy: -65.755 bonds (distance) P-C4' energy: -64.000 flat angles C4'-P-C4' energy: -66.224 flat angles P-C4'-P energy: -43.393 tors. eta vs tors. theta energy: -0.799 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: 5 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1467.987449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.987449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.987449 (E_RNA) where: Base-Base interactions energy: -966.674 where: short stacking energy: -464.411 Base-Backbone interact. energy: 0.232 local terms energy: -501.546021 where: bonds (distance) C4'-P energy: -89.176 bonds (distance) P-C4' energy: -97.087 flat angles C4'-P-C4' energy: -102.926 flat angles P-C4'-P energy: -68.138 tors. eta vs tors. theta energy: -144.220 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: 10 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1391.870843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.870843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.870843 (E_RNA) where: Base-Base interactions energy: -908.959 where: short stacking energy: -422.755 Base-Backbone interact. energy: -2.649 local terms energy: -480.262385 where: bonds (distance) C4'-P energy: -94.074 bonds (distance) P-C4' energy: -97.564 flat angles C4'-P-C4' energy: -100.463 flat angles P-C4'-P energy: -69.903 tors. eta vs tors. theta energy: -118.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1273.453396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.453396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.453396 (E_RNA) where: Base-Base interactions energy: -808.987 where: short stacking energy: -381.069 Base-Backbone interact. energy: -4.137 local terms energy: -460.329659 where: bonds (distance) C4'-P energy: -95.372 bonds (distance) P-C4' energy: -99.507 flat angles C4'-P-C4' energy: -93.868 flat angles P-C4'-P energy: -65.402 tors. eta vs tors. theta energy: -106.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1183.703863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.703863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.703863 (E_RNA) where: Base-Base interactions energy: -736.471 where: short stacking energy: -364.219 Base-Backbone interact. energy: -1.168 local terms energy: -446.064619 where: bonds (distance) C4'-P energy: -95.028 bonds (distance) P-C4' energy: -96.924 flat angles C4'-P-C4' energy: -101.554 flat angles P-C4'-P energy: -56.260 tors. eta vs tors. theta energy: -96.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1067.489532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.489532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.489532 (E_RNA) where: Base-Base interactions energy: -664.779 where: short stacking energy: -307.124 Base-Backbone interact. energy: 0.529 local terms energy: -403.238625 where: bonds (distance) C4'-P energy: -81.173 bonds (distance) P-C4' energy: -84.023 flat angles C4'-P-C4' energy: -94.077 flat angles P-C4'-P energy: -66.044 tors. eta vs tors. theta energy: -77.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1013.909131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.909131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.909131 (E_RNA) where: Base-Base interactions energy: -621.193 where: short stacking energy: -312.433 Base-Backbone interact. energy: -0.615 local terms energy: -392.100933 where: bonds (distance) C4'-P energy: -71.490 bonds (distance) P-C4' energy: -95.973 flat angles C4'-P-C4' energy: -93.571 flat angles P-C4'-P energy: -56.355 tors. eta vs tors. theta energy: -74.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -801.834136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.834136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.834136 (E_RNA) where: Base-Base interactions energy: -465.251 where: short stacking energy: -240.507 Base-Backbone interact. energy: -1.466 local terms energy: -335.116566 where: bonds (distance) C4'-P energy: -85.779 bonds (distance) P-C4' energy: -77.375 flat angles C4'-P-C4' energy: -80.014 flat angles P-C4'-P energy: -57.960 tors. eta vs tors. theta energy: -33.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -691.567319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.567319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.567319 (E_RNA) where: Base-Base interactions energy: -346.869 where: short stacking energy: -211.553 Base-Backbone interact. energy: -1.040 local terms energy: -343.657762 where: bonds (distance) C4'-P energy: -80.920 bonds (distance) P-C4' energy: -82.401 flat angles C4'-P-C4' energy: -74.375 flat angles P-C4'-P energy: -59.863 tors. eta vs tors. theta energy: -46.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -618.920004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.920004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.920004 (E_RNA) where: Base-Base interactions energy: -317.925 where: short stacking energy: -180.233 Base-Backbone interact. energy: 0.524 local terms energy: -301.518371 where: bonds (distance) C4'-P energy: -82.210 bonds (distance) P-C4' energy: -79.151 flat angles C4'-P-C4' energy: -65.717 flat angles P-C4'-P energy: -39.319 tors. eta vs tors. theta energy: -35.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -531.923260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.923260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.923260 (E_RNA) where: Base-Base interactions energy: -273.167 where: short stacking energy: -150.294 Base-Backbone interact. energy: 1.090 local terms energy: -259.846646 where: bonds (distance) C4'-P energy: -64.255 bonds (distance) P-C4' energy: -92.869 flat angles C4'-P-C4' energy: -58.199 flat angles P-C4'-P energy: -29.346 tors. eta vs tors. theta energy: -15.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1447.147455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.147455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.147455 (E_RNA) where: Base-Base interactions energy: -934.321 where: short stacking energy: -415.704 Base-Backbone interact. energy: -2.175 local terms energy: -510.652378 where: bonds (distance) C4'-P energy: -84.871 bonds (distance) P-C4' energy: -104.830 flat angles C4'-P-C4' energy: -111.128 flat angles P-C4'-P energy: -77.869 tors. eta vs tors. theta energy: -131.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1395.944604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.944604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.944604 (E_RNA) where: Base-Base interactions energy: -931.288 where: short stacking energy: -414.149 Base-Backbone interact. energy: -5.965 local terms energy: -458.691197 where: bonds (distance) C4'-P energy: -87.048 bonds (distance) P-C4' energy: -89.770 flat angles C4'-P-C4' energy: -97.775 flat angles P-C4'-P energy: -71.630 tors. eta vs tors. theta energy: -112.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1268.774872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.774872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.774872 (E_RNA) where: Base-Base interactions energy: -830.124 where: short stacking energy: -379.952 Base-Backbone interact. energy: 2.929 local terms energy: -441.579521 where: bonds (distance) C4'-P energy: -81.564 bonds (distance) P-C4' energy: -91.768 flat angles C4'-P-C4' energy: -100.506 flat angles P-C4'-P energy: -71.380 tors. eta vs tors. theta energy: -96.362 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: 3 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1199.767424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.767424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.767424 (E_RNA) where: Base-Base interactions energy: -766.599 where: short stacking energy: -357.574 Base-Backbone interact. energy: -1.895 local terms energy: -431.273852 where: bonds (distance) C4'-P energy: -89.174 bonds (distance) P-C4' energy: -101.811 flat angles C4'-P-C4' energy: -89.615 flat angles P-C4'-P energy: -63.471 tors. eta vs tors. theta energy: -87.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -1081.465418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.465418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.465418 (E_RNA) where: Base-Base interactions energy: -684.221 where: short stacking energy: -325.589 Base-Backbone interact. energy: -1.887 local terms energy: -395.357408 where: bonds (distance) C4'-P energy: -77.252 bonds (distance) P-C4' energy: -102.434 flat angles C4'-P-C4' energy: -88.114 flat angles P-C4'-P energy: -53.975 tors. eta vs tors. theta energy: -73.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -972.809074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.809074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.809074 (E_RNA) where: Base-Base interactions energy: -607.913 where: short stacking energy: -285.360 Base-Backbone interact. energy: -0.643 local terms energy: -364.252976 where: bonds (distance) C4'-P energy: -82.525 bonds (distance) P-C4' energy: -75.648 flat angles C4'-P-C4' energy: -83.970 flat angles P-C4'-P energy: -51.116 tors. eta vs tors. theta energy: -70.994 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: 7, replica: 4 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -814.281165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.281165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.281165 (E_RNA) where: Base-Base interactions energy: -428.614 where: short stacking energy: -215.146 Base-Backbone interact. energy: -3.865 local terms energy: -381.801659 where: bonds (distance) C4'-P energy: -97.528 bonds (distance) P-C4' energy: -99.296 flat angles C4'-P-C4' energy: -77.175 flat angles P-C4'-P energy: -71.590 tors. eta vs tors. theta energy: -36.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -657.787925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.787925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.787925 (E_RNA) where: Base-Base interactions energy: -362.768 where: short stacking energy: -186.868 Base-Backbone interact. energy: 2.013 local terms energy: -297.033573 where: bonds (distance) C4'-P energy: -85.646 bonds (distance) P-C4' energy: -97.451 flat angles C4'-P-C4' energy: -63.863 flat angles P-C4'-P energy: -33.710 tors. eta vs tors. theta energy: -16.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -570.735319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.735319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.735319 (E_RNA) where: Base-Base interactions energy: -279.629 where: short stacking energy: -159.234 Base-Backbone interact. energy: -0.077 local terms energy: -291.029416 where: bonds (distance) C4'-P energy: -75.022 bonds (distance) P-C4' energy: -79.397 flat angles C4'-P-C4' energy: -80.911 flat angles P-C4'-P energy: -52.891 tors. eta vs tors. theta energy: -2.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -521.872728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.872728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.872728 (E_RNA) where: Base-Base interactions energy: -242.425 where: short stacking energy: -136.731 Base-Backbone interact. energy: 3.806 local terms energy: -283.253631 where: bonds (distance) C4'-P energy: -84.204 bonds (distance) P-C4' energy: -80.518 flat angles C4'-P-C4' energy: -70.511 flat angles P-C4'-P energy: -35.028 tors. eta vs tors. theta energy: -12.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1477.642522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.642522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.642522 (E_RNA) where: Base-Base interactions energy: -980.098 where: short stacking energy: -465.879 Base-Backbone interact. energy: 1.071 local terms energy: -498.616174 where: bonds (distance) C4'-P energy: -96.518 bonds (distance) P-C4' energy: -103.037 flat angles C4'-P-C4' energy: -103.480 flat angles P-C4'-P energy: -59.305 tors. eta vs tors. theta energy: -136.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1390.735569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.735569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.735569 (E_RNA) where: Base-Base interactions energy: -926.919 where: short stacking energy: -439.233 Base-Backbone interact. energy: -3.981 local terms energy: -459.834964 where: bonds (distance) C4'-P energy: -80.974 bonds (distance) P-C4' energy: -89.761 flat angles C4'-P-C4' energy: -101.089 flat angles P-C4'-P energy: -62.757 tors. eta vs tors. theta energy: -125.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1251.592544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.592544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.592544 (E_RNA) where: Base-Base interactions energy: -808.481 where: short stacking energy: -393.847 Base-Backbone interact. energy: -0.671 local terms energy: -442.440570 where: bonds (distance) C4'-P energy: -89.362 bonds (distance) P-C4' energy: -94.990 flat angles C4'-P-C4' energy: -95.858 flat angles P-C4'-P energy: -59.691 tors. eta vs tors. theta energy: -102.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1160.637256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.637256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.637256 (E_RNA) where: Base-Base interactions energy: -744.260 where: short stacking energy: -354.159 Base-Backbone interact. energy: -2.621 local terms energy: -413.756223 where: bonds (distance) C4'-P energy: -88.530 bonds (distance) P-C4' energy: -83.163 flat angles C4'-P-C4' energy: -104.231 flat angles P-C4'-P energy: -55.966 tors. eta vs tors. theta energy: -81.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -1083.323442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.323442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.323442 (E_RNA) where: Base-Base interactions energy: -659.616 where: short stacking energy: -318.969 Base-Backbone interact. energy: 1.378 local terms energy: -425.085850 where: bonds (distance) C4'-P energy: -91.272 bonds (distance) P-C4' energy: -87.619 flat angles C4'-P-C4' energy: -99.005 flat angles P-C4'-P energy: -66.334 tors. eta vs tors. theta energy: -80.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -958.019453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.019453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.019453 (E_RNA) where: Base-Base interactions energy: -602.065 where: short stacking energy: -284.005 Base-Backbone interact. energy: -1.957 local terms energy: -353.997687 where: bonds (distance) C4'-P energy: -73.434 bonds (distance) P-C4' energy: -82.378 flat angles C4'-P-C4' energy: -91.214 flat angles P-C4'-P energy: -46.203 tors. eta vs tors. theta energy: -60.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -821.990740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.990740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.990740 (E_RNA) where: Base-Base interactions energy: -467.182 where: short stacking energy: -251.386 Base-Backbone interact. energy: -0.051 local terms energy: -354.758056 where: bonds (distance) C4'-P energy: -70.418 bonds (distance) P-C4' energy: -72.448 flat angles C4'-P-C4' energy: -100.626 flat angles P-C4'-P energy: -60.485 tors. eta vs tors. theta energy: -50.782 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: 1 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -641.586897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.586897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.586897 (E_RNA) where: Base-Base interactions energy: -327.825 where: short stacking energy: -172.098 Base-Backbone interact. energy: -1.816 local terms energy: -311.945728 where: bonds (distance) C4'-P energy: -81.448 bonds (distance) P-C4' energy: -85.558 flat angles C4'-P-C4' energy: -81.557 flat angles P-C4'-P energy: -53.841 tors. eta vs tors. theta energy: -9.541 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: 152 Temperature: 1.300000 Total energy: -535.441393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.441393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.441393 (E_RNA) where: Base-Base interactions energy: -255.672 where: short stacking energy: -140.922 Base-Backbone interact. energy: -1.647 local terms energy: -278.121715 where: bonds (distance) C4'-P energy: -76.486 bonds (distance) P-C4' energy: -81.686 flat angles C4'-P-C4' energy: -81.269 flat angles P-C4'-P energy: -49.519 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: 10, replica: 8 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -520.712060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.712060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.712060 (E_RNA) where: Base-Base interactions energy: -248.324 where: short stacking energy: -159.556 Base-Backbone interact. energy: -0.776 local terms energy: -271.611622 where: bonds (distance) C4'-P energy: -77.405 bonds (distance) P-C4' energy: -79.583 flat angles C4'-P-C4' energy: -73.156 flat angles P-C4'-P energy: -43.091 tors. eta vs tors. theta energy: 1.624 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: 5 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1494.464185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.464185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.464185 (E_RNA) where: Base-Base interactions energy: -973.832 where: short stacking energy: -448.518 Base-Backbone interact. energy: -3.085 local terms energy: -517.546382 where: bonds (distance) C4'-P energy: -96.810 bonds (distance) P-C4' energy: -99.290 flat angles C4'-P-C4' energy: -116.017 flat angles P-C4'-P energy: -67.060 tors. eta vs tors. theta energy: -138.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1349.194444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.194444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.194444 (E_RNA) where: Base-Base interactions energy: -877.616 where: short stacking energy: -397.443 Base-Backbone interact. energy: -6.965 local terms energy: -464.613085 where: bonds (distance) C4'-P energy: -93.300 bonds (distance) P-C4' energy: -95.930 flat angles C4'-P-C4' energy: -102.576 flat angles P-C4'-P energy: -65.267 tors. eta vs tors. theta energy: -107.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1272.232306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.232306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.232306 (E_RNA) where: Base-Base interactions energy: -836.513 where: short stacking energy: -386.268 Base-Backbone interact. energy: 0.925 local terms energy: -436.644434 where: bonds (distance) C4'-P energy: -87.046 bonds (distance) P-C4' energy: -83.221 flat angles C4'-P-C4' energy: -103.324 flat angles P-C4'-P energy: -73.739 tors. eta vs tors. theta energy: -89.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1161.185190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.185190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.185190 (E_RNA) where: Base-Base interactions energy: -751.629 where: short stacking energy: -363.092 Base-Backbone interact. energy: -0.317 local terms energy: -409.238932 where: bonds (distance) C4'-P energy: -80.307 bonds (distance) P-C4' energy: -98.192 flat angles C4'-P-C4' energy: -89.732 flat angles P-C4'-P energy: -59.196 tors. eta vs tors. theta energy: -81.812 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: 6 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1068.436958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.436958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.436958 (E_RNA) where: Base-Base interactions energy: -660.536 where: short stacking energy: -314.292 Base-Backbone interact. energy: 0.116 local terms energy: -408.017313 where: bonds (distance) C4'-P energy: -93.862 bonds (distance) P-C4' energy: -86.016 flat angles C4'-P-C4' energy: -93.356 flat angles P-C4'-P energy: -53.393 tors. eta vs tors. theta energy: -81.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -968.227937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.227937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.227937 (E_RNA) where: Base-Base interactions energy: -591.726 where: short stacking energy: -281.904 Base-Backbone interact. energy: 1.549 local terms energy: -378.051023 where: bonds (distance) C4'-P energy: -91.148 bonds (distance) P-C4' energy: -91.201 flat angles C4'-P-C4' energy: -77.895 flat angles P-C4'-P energy: -54.732 tors. eta vs tors. theta energy: -63.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -781.367306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.367306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.367306 (E_RNA) where: Base-Base interactions energy: -475.020 where: short stacking energy: -236.213 Base-Backbone interact. energy: 0.033 local terms energy: -306.379559 where: bonds (distance) C4'-P energy: -68.407 bonds (distance) P-C4' energy: -79.731 flat angles C4'-P-C4' energy: -78.747 flat angles P-C4'-P energy: -47.412 tors. eta vs tors. theta energy: -32.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -603.861939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.861939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.861939 (E_RNA) where: Base-Base interactions energy: -306.583 where: short stacking energy: -177.253 Base-Backbone interact. energy: 2.511 local terms energy: -299.790701 where: bonds (distance) C4'-P energy: -75.719 bonds (distance) P-C4' energy: -93.625 flat angles C4'-P-C4' energy: -82.313 flat angles P-C4'-P energy: -32.681 tors. eta vs tors. theta energy: -15.452 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: 153 Temperature: 1.300000 Total energy: -571.926900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.926900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.926900 (E_RNA) where: Base-Base interactions energy: -291.083 where: short stacking energy: -184.990 Base-Backbone interact. energy: 3.119 local terms energy: -283.963245 where: bonds (distance) C4'-P energy: -67.372 bonds (distance) P-C4' energy: -66.704 flat angles C4'-P-C4' energy: -80.265 flat angles P-C4'-P energy: -48.277 tors. eta vs tors. theta energy: -21.345 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: 10, replica: 8 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -507.674056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.674056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.674056 (E_RNA) where: Base-Base interactions energy: -265.225 where: short stacking energy: -142.819 Base-Backbone interact. energy: 1.375 local terms energy: -243.824159 where: bonds (distance) C4'-P energy: -67.524 bonds (distance) P-C4' energy: -87.165 flat angles C4'-P-C4' energy: -67.119 flat angles P-C4'-P energy: -27.957 tors. eta vs tors. theta energy: 5.941 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: 5 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1509.931432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.931432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.931432 (E_RNA) where: Base-Base interactions energy: -1008.387 where: short stacking energy: -477.661 Base-Backbone interact. energy: -1.270 local terms energy: -500.274289 where: bonds (distance) C4'-P energy: -79.933 bonds (distance) P-C4' energy: -83.466 flat angles C4'-P-C4' energy: -112.758 flat angles P-C4'-P energy: -77.212 tors. eta vs tors. theta energy: -146.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1366.833104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.833104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.833104 (E_RNA) where: Base-Base interactions energy: -899.253 where: short stacking energy: -387.802 Base-Backbone interact. energy: -4.370 local terms energy: -463.209500 where: bonds (distance) C4'-P energy: -88.430 bonds (distance) P-C4' energy: -93.044 flat angles C4'-P-C4' energy: -98.576 flat angles P-C4'-P energy: -70.296 tors. eta vs tors. theta energy: -112.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1248.051412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.051412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.051412 (E_RNA) where: Base-Base interactions energy: -810.033 where: short stacking energy: -359.113 Base-Backbone interact. energy: -1.801 local terms energy: -436.217561 where: bonds (distance) C4'-P energy: -93.745 bonds (distance) P-C4' energy: -88.202 flat angles C4'-P-C4' energy: -104.180 flat angles P-C4'-P energy: -69.545 tors. eta vs tors. theta energy: -80.546 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: 4, replica: 3 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1190.276813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.276813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.276813 (E_RNA) where: Base-Base interactions energy: -773.383 where: short stacking energy: -377.099 Base-Backbone interact. energy: 1.230 local terms energy: -418.123084 where: bonds (distance) C4'-P energy: -84.171 bonds (distance) P-C4' energy: -96.339 flat angles C4'-P-C4' energy: -88.367 flat angles P-C4'-P energy: -58.787 tors. eta vs tors. theta energy: -90.459 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: 6 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1009.522447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.522447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.522447 (E_RNA) where: Base-Base interactions energy: -633.298 where: short stacking energy: -313.826 Base-Backbone interact. energy: 0.593 local terms energy: -376.816992 where: bonds (distance) C4'-P energy: -90.931 bonds (distance) P-C4' energy: -74.066 flat angles C4'-P-C4' energy: -89.344 flat angles P-C4'-P energy: -54.948 tors. eta vs tors. theta energy: -67.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -973.379483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.379483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.379483 (E_RNA) where: Base-Base interactions energy: -608.200 where: short stacking energy: -291.678 Base-Backbone interact. energy: 1.573 local terms energy: -366.752085 where: bonds (distance) C4'-P energy: -81.527 bonds (distance) P-C4' energy: -85.932 flat angles C4'-P-C4' energy: -83.738 flat angles P-C4'-P energy: -52.176 tors. eta vs tors. theta energy: -63.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -792.184959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.184959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.184959 (E_RNA) where: Base-Base interactions energy: -442.154 where: short stacking energy: -237.441 Base-Backbone interact. energy: 2.222 local terms energy: -352.252555 where: bonds (distance) C4'-P energy: -87.203 bonds (distance) P-C4' energy: -97.310 flat angles C4'-P-C4' energy: -85.931 flat angles P-C4'-P energy: -44.614 tors. eta vs tors. theta energy: -37.194 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: 1 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -586.477924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.477924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.477924 (E_RNA) where: Base-Base interactions energy: -282.558 where: short stacking energy: -170.111 Base-Backbone interact. energy: -0.384 local terms energy: -303.536167 where: bonds (distance) C4'-P energy: -59.154 bonds (distance) P-C4' energy: -83.024 flat angles C4'-P-C4' energy: -86.138 flat angles P-C4'-P energy: -59.451 tors. eta vs tors. theta energy: -15.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -558.762997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.762997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.762997 (E_RNA) where: Base-Base interactions energy: -272.057 where: short stacking energy: -159.346 Base-Backbone interact. energy: -1.037 local terms energy: -285.669060 where: bonds (distance) C4'-P energy: -78.867 bonds (distance) P-C4' energy: -85.448 flat angles C4'-P-C4' energy: -70.153 flat angles P-C4'-P energy: -46.572 tors. eta vs tors. theta energy: -4.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -538.822558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.822558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.822558 (E_RNA) where: Base-Base interactions energy: -289.826 where: short stacking energy: -161.760 Base-Backbone interact. energy: 4.619 local terms energy: -253.615395 where: bonds (distance) C4'-P energy: -77.755 bonds (distance) P-C4' energy: -79.100 flat angles C4'-P-C4' energy: -54.684 flat angles P-C4'-P energy: -41.028 tors. eta vs tors. theta energy: -1.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1499.277485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.277485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.277485 (E_RNA) where: Base-Base interactions energy: -971.653 where: short stacking energy: -472.369 Base-Backbone interact. energy: -3.195 local terms energy: -524.429532 where: bonds (distance) C4'-P energy: -101.169 bonds (distance) P-C4' energy: -100.499 flat angles C4'-P-C4' energy: -107.762 flat angles P-C4'-P energy: -79.745 tors. eta vs tors. theta energy: -135.255 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: 10 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1375.553438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.553438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.553438 (E_RNA) where: Base-Base interactions energy: -909.558 where: short stacking energy: -401.050 Base-Backbone interact. energy: 1.438 local terms energy: -467.432764 where: bonds (distance) C4'-P energy: -95.680 bonds (distance) P-C4' energy: -91.598 flat angles C4'-P-C4' energy: -98.533 flat angles P-C4'-P energy: -67.491 tors. eta vs tors. theta energy: -114.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1261.658729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.658729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.658729 (E_RNA) where: Base-Base interactions energy: -820.062 where: short stacking energy: -387.300 Base-Backbone interact. energy: 0.040 local terms energy: -441.636450 where: bonds (distance) C4'-P energy: -76.338 bonds (distance) P-C4' energy: -95.299 flat angles C4'-P-C4' energy: -108.347 flat angles P-C4'-P energy: -62.255 tors. eta vs tors. theta energy: -99.398 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: 3 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1178.678651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.678651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.678651 (E_RNA) where: Base-Base interactions energy: -751.645 where: short stacking energy: -374.748 Base-Backbone interact. energy: -1.660 local terms energy: -425.373610 where: bonds (distance) C4'-P energy: -85.063 bonds (distance) P-C4' energy: -85.735 flat angles C4'-P-C4' energy: -97.913 flat angles P-C4'-P energy: -69.537 tors. eta vs tors. theta energy: -87.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1033.575155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.575155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.575155 (E_RNA) where: Base-Base interactions energy: -628.075 where: short stacking energy: -319.700 Base-Backbone interact. energy: -0.697 local terms energy: -404.803540 where: bonds (distance) C4'-P energy: -83.899 bonds (distance) P-C4' energy: -86.598 flat angles C4'-P-C4' energy: -100.052 flat angles P-C4'-P energy: -63.594 tors. eta vs tors. theta energy: -70.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -1072.458837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.458837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.458837 (E_RNA) where: Base-Base interactions energy: -670.563 where: short stacking energy: -339.075 Base-Backbone interact. energy: -1.013 local terms energy: -400.882808 where: bonds (distance) C4'-P energy: -79.466 bonds (distance) P-C4' energy: -76.838 flat angles C4'-P-C4' energy: -96.354 flat angles P-C4'-P energy: -61.157 tors. eta vs tors. theta energy: -87.067 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: 4 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -800.785671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.785671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.785671 (E_RNA) where: Base-Base interactions energy: -475.129 where: short stacking energy: -259.724 Base-Backbone interact. energy: -0.690 local terms energy: -324.966556 where: bonds (distance) C4'-P energy: -68.244 bonds (distance) P-C4' energy: -88.233 flat angles C4'-P-C4' energy: -79.629 flat angles P-C4'-P energy: -43.943 tors. eta vs tors. theta energy: -44.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -621.873615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.873615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.873615 (E_RNA) where: Base-Base interactions energy: -309.189 where: short stacking energy: -170.617 Base-Backbone interact. energy: 0.041 local terms energy: -312.725482 where: bonds (distance) C4'-P energy: -85.174 bonds (distance) P-C4' energy: -94.651 flat angles C4'-P-C4' energy: -80.726 flat angles P-C4'-P energy: -45.891 tors. eta vs tors. theta energy: -6.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -525.543026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.543026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.543026 (E_RNA) where: Base-Base interactions energy: -249.172 where: short stacking energy: -156.221 Base-Backbone interact. energy: -1.113 local terms energy: -275.258461 where: bonds (distance) C4'-P energy: -80.044 bonds (distance) P-C4' energy: -79.532 flat angles C4'-P-C4' energy: -76.155 flat angles P-C4'-P energy: -35.235 tors. eta vs tors. theta energy: -4.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -529.211564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.211564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.211564 (E_RNA) where: Base-Base interactions energy: -251.082 where: short stacking energy: -152.052 Base-Backbone interact. energy: -0.120 local terms energy: -278.009097 where: bonds (distance) C4'-P energy: -72.760 bonds (distance) P-C4' energy: -84.870 flat angles C4'-P-C4' energy: -66.036 flat angles P-C4'-P energy: -43.871 tors. eta vs tors. theta energy: -10.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1472.231191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.231191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.231191 (E_RNA) where: Base-Base interactions energy: -970.236 where: short stacking energy: -460.968 Base-Backbone interact. energy: 0.895 local terms energy: -502.890641 where: bonds (distance) C4'-P energy: -97.632 bonds (distance) P-C4' energy: -97.901 flat angles C4'-P-C4' energy: -104.430 flat angles P-C4'-P energy: -66.361 tors. eta vs tors. theta energy: -136.568 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: 10 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1380.480698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.480698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.480698 (E_RNA) where: Base-Base interactions energy: -900.249 where: short stacking energy: -414.038 Base-Backbone interact. energy: -1.982 local terms energy: -478.250515 where: bonds (distance) C4'-P energy: -98.328 bonds (distance) P-C4' energy: -101.565 flat angles C4'-P-C4' energy: -98.800 flat angles P-C4'-P energy: -68.316 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: 3, replica: 9 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1303.563329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.563329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.563329 (E_RNA) where: Base-Base interactions energy: -867.641 where: short stacking energy: -384.316 Base-Backbone interact. energy: -1.972 local terms energy: -433.950489 where: bonds (distance) C4'-P energy: -87.775 bonds (distance) P-C4' energy: -88.883 flat angles C4'-P-C4' energy: -103.672 flat angles P-C4'-P energy: -58.177 tors. eta vs tors. theta energy: -95.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1192.566331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.566331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.566331 (E_RNA) where: Base-Base interactions energy: -746.436 where: short stacking energy: -353.436 Base-Backbone interact. energy: -1.455 local terms energy: -444.675965 where: bonds (distance) C4'-P energy: -98.924 bonds (distance) P-C4' energy: -92.090 flat angles C4'-P-C4' energy: -94.887 flat angles P-C4'-P energy: -60.573 tors. eta vs tors. theta energy: -98.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -1088.920393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.920393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.920393 (E_RNA) where: Base-Base interactions energy: -685.924 where: short stacking energy: -313.218 Base-Backbone interact. energy: -1.131 local terms energy: -401.865040 where: bonds (distance) C4'-P energy: -82.588 bonds (distance) P-C4' energy: -94.743 flat angles C4'-P-C4' energy: -88.211 flat angles P-C4'-P energy: -57.189 tors. eta vs tors. theta energy: -79.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -967.581473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.581473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.581473 (E_RNA) where: Base-Base interactions energy: -604.137 where: short stacking energy: -273.537 Base-Backbone interact. energy: -3.302 local terms energy: -360.143155 where: bonds (distance) C4'-P energy: -81.411 bonds (distance) P-C4' energy: -88.541 flat angles C4'-P-C4' energy: -87.353 flat angles P-C4'-P energy: -55.392 tors. eta vs tors. theta energy: -47.446 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: 156 Temperature: 1.200000 Total energy: -783.093444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.093444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.093444 (E_RNA) where: Base-Base interactions energy: -465.668 where: short stacking energy: -252.668 Base-Backbone interact. energy: -0.781 local terms energy: -316.643895 where: bonds (distance) C4'-P energy: -87.180 bonds (distance) P-C4' energy: -77.820 flat angles C4'-P-C4' energy: -71.811 flat angles P-C4'-P energy: -46.566 tors. eta vs tors. theta energy: -33.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -634.758058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.758058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.758058 (E_RNA) where: Base-Base interactions energy: -335.995 where: short stacking energy: -175.913 Base-Backbone interact. energy: -2.377 local terms energy: -296.385832 where: bonds (distance) C4'-P energy: -73.847 bonds (distance) P-C4' energy: -82.783 flat angles C4'-P-C4' energy: -74.345 flat angles P-C4'-P energy: -48.707 tors. eta vs tors. theta energy: -16.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -624.180666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.180666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.180666 (E_RNA) where: Base-Base interactions energy: -313.457 where: short stacking energy: -161.670 Base-Backbone interact. energy: -1.325 local terms energy: -309.398013 where: bonds (distance) C4'-P energy: -82.099 bonds (distance) P-C4' energy: -85.908 flat angles C4'-P-C4' energy: -82.793 flat angles P-C4'-P energy: -39.431 tors. eta vs tors. theta energy: -19.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -504.779146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.779146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.779146 (E_RNA) where: Base-Base interactions energy: -237.546 where: short stacking energy: -118.811 Base-Backbone interact. energy: -3.015 local terms energy: -264.218431 where: bonds (distance) C4'-P energy: -74.436 bonds (distance) P-C4' energy: -81.068 flat angles C4'-P-C4' energy: -70.064 flat angles P-C4'-P energy: -42.001 tors. eta vs tors. theta energy: 3.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1473.447899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.447899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.447899 (E_RNA) where: Base-Base interactions energy: -980.913 where: short stacking energy: -468.181 Base-Backbone interact. energy: 0.858 local terms energy: -493.392913 where: bonds (distance) C4'-P energy: -87.453 bonds (distance) P-C4' energy: -89.627 flat angles C4'-P-C4' energy: -116.349 flat angles P-C4'-P energy: -52.761 tors. eta vs tors. theta energy: -147.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1345.391714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.391714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.391714 (E_RNA) where: Base-Base interactions energy: -874.839 where: short stacking energy: -405.394 Base-Backbone interact. energy: -0.625 local terms energy: -469.928007 where: bonds (distance) C4'-P energy: -85.850 bonds (distance) P-C4' energy: -93.735 flat angles C4'-P-C4' energy: -98.993 flat angles P-C4'-P energy: -73.313 tors. eta vs tors. theta energy: -118.038 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: 9 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1278.755014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.755014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.755014 (E_RNA) where: Base-Base interactions energy: -842.097 where: short stacking energy: -373.334 Base-Backbone interact. energy: 0.524 local terms energy: -437.181526 where: bonds (distance) C4'-P energy: -93.581 bonds (distance) P-C4' energy: -95.677 flat angles C4'-P-C4' energy: -86.698 flat angles P-C4'-P energy: -69.420 tors. eta vs tors. theta energy: -91.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1160.627591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.627591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.627591 (E_RNA) where: Base-Base interactions energy: -760.592 where: short stacking energy: -330.995 Base-Backbone interact. energy: 0.165 local terms energy: -400.200701 where: bonds (distance) C4'-P energy: -84.127 bonds (distance) P-C4' energy: -82.543 flat angles C4'-P-C4' energy: -92.661 flat angles P-C4'-P energy: -55.171 tors. eta vs tors. theta energy: -85.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1123.689039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.689039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.689039 (E_RNA) where: Base-Base interactions energy: -704.751 where: short stacking energy: -342.705 Base-Backbone interact. energy: -1.121 local terms energy: -417.817556 where: bonds (distance) C4'-P energy: -75.028 bonds (distance) P-C4' energy: -92.479 flat angles C4'-P-C4' energy: -95.109 flat angles P-C4'-P energy: -60.377 tors. eta vs tors. theta energy: -94.824 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: 6, replica: 6 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1007.410942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.410942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.410942 (E_RNA) where: Base-Base interactions energy: -614.414 where: short stacking energy: -286.558 Base-Backbone interact. energy: -2.640 local terms energy: -390.356381 where: bonds (distance) C4'-P energy: -83.145 bonds (distance) P-C4' energy: -86.461 flat angles C4'-P-C4' energy: -80.739 flat angles P-C4'-P energy: -58.301 tors. eta vs tors. theta energy: -81.710 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: 4 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -764.001542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.001542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.001542 (E_RNA) where: Base-Base interactions energy: -456.283 where: short stacking energy: -232.338 Base-Backbone interact. energy: 0.246 local terms energy: -307.965306 where: bonds (distance) C4'-P energy: -77.650 bonds (distance) P-C4' energy: -74.503 flat angles C4'-P-C4' energy: -80.053 flat angles P-C4'-P energy: -52.889 tors. eta vs tors. theta energy: -22.871 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: 7 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -641.605083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.605083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.605083 (E_RNA) where: Base-Base interactions energy: -338.320 where: short stacking energy: -174.664 Base-Backbone interact. energy: -1.041 local terms energy: -302.244908 where: bonds (distance) C4'-P energy: -78.505 bonds (distance) P-C4' energy: -81.674 flat angles C4'-P-C4' energy: -84.818 flat angles P-C4'-P energy: -37.823 tors. eta vs tors. theta energy: -19.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -635.819068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.819068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.819068 (E_RNA) where: Base-Base interactions energy: -354.194 where: short stacking energy: -191.062 Base-Backbone interact. energy: -0.374 local terms energy: -281.251110 where: bonds (distance) C4'-P energy: -62.341 bonds (distance) P-C4' energy: -75.619 flat angles C4'-P-C4' energy: -78.660 flat angles P-C4'-P energy: -49.284 tors. eta vs tors. theta energy: -15.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -512.030636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.030636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.030636 (E_RNA) where: Base-Base interactions energy: -263.609 where: short stacking energy: -154.888 Base-Backbone interact. energy: -1.574 local terms energy: -246.847532 where: bonds (distance) C4'-P energy: -66.104 bonds (distance) P-C4' energy: -70.180 flat angles C4'-P-C4' energy: -72.350 flat angles P-C4'-P energy: -37.675 tors. eta vs tors. theta energy: -0.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1495.274489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.274489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.274489 (E_RNA) where: Base-Base interactions energy: -984.981 where: short stacking energy: -458.019 Base-Backbone interact. energy: 1.078 local terms energy: -511.371594 where: bonds (distance) C4'-P energy: -99.554 bonds (distance) P-C4' energy: -97.184 flat angles C4'-P-C4' energy: -101.962 flat angles P-C4'-P energy: -66.535 tors. eta vs tors. theta energy: -146.135 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: 2, replica: 10 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1352.116838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.116838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.116838 (E_RNA) where: Base-Base interactions energy: -867.991 where: short stacking energy: -401.435 Base-Backbone interact. energy: -4.905 local terms energy: -479.221655 where: bonds (distance) C4'-P energy: -107.854 bonds (distance) P-C4' energy: -92.033 flat angles C4'-P-C4' energy: -96.596 flat angles P-C4'-P energy: -65.487 tors. eta vs tors. theta energy: -117.251 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: 158 Temperature: 1.000000 Total energy: -1277.916059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.916059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.916059 (E_RNA) where: Base-Base interactions energy: -835.251 where: short stacking energy: -376.620 Base-Backbone interact. energy: -1.446 local terms energy: -441.219043 where: bonds (distance) C4'-P energy: -85.286 bonds (distance) P-C4' energy: -94.458 flat angles C4'-P-C4' energy: -102.387 flat angles P-C4'-P energy: -69.702 tors. eta vs tors. theta energy: -89.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1156.618513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.618513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.618513 (E_RNA) where: Base-Base interactions energy: -744.167 where: short stacking energy: -340.486 Base-Backbone interact. energy: -0.097 local terms energy: -412.354807 where: bonds (distance) C4'-P energy: -88.581 bonds (distance) P-C4' energy: -80.716 flat angles C4'-P-C4' energy: -105.944 flat angles P-C4'-P energy: -56.596 tors. eta vs tors. theta energy: -80.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -1101.755216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.755216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.755216 (E_RNA) where: Base-Base interactions energy: -689.530 where: short stacking energy: -322.728 Base-Backbone interact. energy: -0.120 local terms energy: -412.105321 where: bonds (distance) C4'-P energy: -88.519 bonds (distance) P-C4' energy: -68.463 flat angles C4'-P-C4' energy: -103.933 flat angles P-C4'-P energy: -67.509 tors. eta vs tors. theta energy: -83.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -956.165457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.165457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.165457 (E_RNA) where: Base-Base interactions energy: -577.354 where: short stacking energy: -276.098 Base-Backbone interact. energy: 0.937 local terms energy: -379.747920 where: bonds (distance) C4'-P energy: -77.629 bonds (distance) P-C4' energy: -86.821 flat angles C4'-P-C4' energy: -86.387 flat angles P-C4'-P energy: -57.656 tors. eta vs tors. theta energy: -71.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -776.571400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.571400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.571400 (E_RNA) where: Base-Base interactions energy: -436.496 where: short stacking energy: -241.252 Base-Backbone interact. energy: -0.611 local terms energy: -339.464729 where: bonds (distance) C4'-P energy: -84.585 bonds (distance) P-C4' energy: -90.278 flat angles C4'-P-C4' energy: -70.361 flat angles P-C4'-P energy: -55.466 tors. eta vs tors. theta energy: -38.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -654.543373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.543373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.543373 (E_RNA) where: Base-Base interactions energy: -352.893 where: short stacking energy: -179.224 Base-Backbone interact. energy: -0.370 local terms energy: -301.280764 where: bonds (distance) C4'-P energy: -83.655 bonds (distance) P-C4' energy: -98.273 flat angles C4'-P-C4' energy: -70.236 flat angles P-C4'-P energy: -50.146 tors. eta vs tors. theta energy: 1.030 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: 1 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -589.560763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.560763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.560763 (E_RNA) where: Base-Base interactions energy: -323.213 where: short stacking energy: -198.226 Base-Backbone interact. energy: 4.469 local terms energy: -270.816983 where: bonds (distance) C4'-P energy: -65.021 bonds (distance) P-C4' energy: -66.881 flat angles C4'-P-C4' energy: -77.244 flat angles P-C4'-P energy: -37.090 tors. eta vs tors. theta energy: -24.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -554.163733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.163733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.163733 (E_RNA) where: Base-Base interactions energy: -276.968 where: short stacking energy: -157.983 Base-Backbone interact. energy: -2.158 local terms energy: -275.038116 where: bonds (distance) C4'-P energy: -85.490 bonds (distance) P-C4' energy: -73.460 flat angles C4'-P-C4' energy: -82.177 flat angles P-C4'-P energy: -41.028 tors. eta vs tors. theta energy: 7.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1470.172549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.172549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.172549 (E_RNA) where: Base-Base interactions energy: -970.847 where: short stacking energy: -451.443 Base-Backbone interact. energy: 1.931 local terms energy: -501.256789 where: bonds (distance) C4'-P energy: -86.167 bonds (distance) P-C4' energy: -103.792 flat angles C4'-P-C4' energy: -102.235 flat angles P-C4'-P energy: -76.375 tors. eta vs tors. theta energy: -132.688 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: 10 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1338.624236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.624236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.624236 (E_RNA) where: Base-Base interactions energy: -869.420 where: short stacking energy: -404.188 Base-Backbone interact. energy: -0.838 local terms energy: -468.366202 where: bonds (distance) C4'-P energy: -94.392 bonds (distance) P-C4' energy: -82.350 flat angles C4'-P-C4' energy: -105.627 flat angles P-C4'-P energy: -77.757 tors. eta vs tors. theta energy: -108.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1316.308988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.308988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.308988 (E_RNA) where: Base-Base interactions energy: -874.133 where: short stacking energy: -379.943 Base-Backbone interact. energy: -1.599 local terms energy: -440.577202 where: bonds (distance) C4'-P energy: -82.978 bonds (distance) P-C4' energy: -87.638 flat angles C4'-P-C4' energy: -110.299 flat angles P-C4'-P energy: -55.445 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: 4, replica: 3 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1154.437239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.437239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.437239 (E_RNA) where: Base-Base interactions energy: -709.655 where: short stacking energy: -351.399 Base-Backbone interact. energy: 0.023 local terms energy: -444.805166 where: bonds (distance) C4'-P energy: -97.606 bonds (distance) P-C4' energy: -95.175 flat angles C4'-P-C4' energy: -96.929 flat angles P-C4'-P energy: -60.245 tors. eta vs tors. theta energy: -94.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1103.472378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.472378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.472378 (E_RNA) where: Base-Base interactions energy: -700.831 where: short stacking energy: -331.836 Base-Backbone interact. energy: -0.005 local terms energy: -402.636208 where: bonds (distance) C4'-P energy: -82.419 bonds (distance) P-C4' energy: -77.658 flat angles C4'-P-C4' energy: -93.709 flat angles P-C4'-P energy: -65.221 tors. eta vs tors. theta energy: -83.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1013.187720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.187720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.187720 (E_RNA) where: Base-Base interactions energy: -630.048 where: short stacking energy: -310.669 Base-Backbone interact. energy: 0.091 local terms energy: -383.231567 where: bonds (distance) C4'-P energy: -92.353 bonds (distance) P-C4' energy: -80.895 flat angles C4'-P-C4' energy: -74.996 flat angles P-C4'-P energy: -56.788 tors. eta vs tors. theta energy: -78.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -811.969059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.969059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.969059 (E_RNA) where: Base-Base interactions energy: -458.778 where: short stacking energy: -233.852 Base-Backbone interact. energy: -2.429 local terms energy: -350.762660 where: bonds (distance) C4'-P energy: -75.461 bonds (distance) P-C4' energy: -92.088 flat angles C4'-P-C4' energy: -88.400 flat angles P-C4'-P energy: -41.033 tors. eta vs tors. theta energy: -53.781 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: 1 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -642.839162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.839162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.839162 (E_RNA) where: Base-Base interactions energy: -343.164 where: short stacking energy: -185.316 Base-Backbone interact. energy: 1.622 local terms energy: -301.296582 where: bonds (distance) C4'-P energy: -77.579 bonds (distance) P-C4' energy: -71.287 flat angles C4'-P-C4' energy: -81.438 flat angles P-C4'-P energy: -50.463 tors. eta vs tors. theta energy: -20.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -674.143988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.143988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.143988 (E_RNA) where: Base-Base interactions energy: -382.232 where: short stacking energy: -204.195 Base-Backbone interact. energy: -0.999 local terms energy: -290.913286 where: bonds (distance) C4'-P energy: -60.708 bonds (distance) P-C4' energy: -80.470 flat angles C4'-P-C4' energy: -73.571 flat angles P-C4'-P energy: -43.090 tors. eta vs tors. theta energy: -33.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -554.127102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.127102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.127102 (E_RNA) where: Base-Base interactions energy: -277.999 where: short stacking energy: -164.676 Base-Backbone interact. energy: -0.865 local terms energy: -275.262358 where: bonds (distance) C4'-P energy: -75.043 bonds (distance) P-C4' energy: -76.426 flat angles C4'-P-C4' energy: -74.880 flat angles P-C4'-P energy: -41.154 tors. eta vs tors. theta energy: -7.759 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: 5 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1492.978157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.978157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.978157 (E_RNA) where: Base-Base interactions energy: -1013.701 where: short stacking energy: -470.754 Base-Backbone interact. energy: -1.281 local terms energy: -477.996202 where: bonds (distance) C4'-P energy: -93.296 bonds (distance) P-C4' energy: -92.232 flat angles C4'-P-C4' energy: -99.507 flat angles P-C4'-P energy: -57.905 tors. eta vs tors. theta energy: -135.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1322.417127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.417127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.417127 (E_RNA) where: Base-Base interactions energy: -874.029 where: short stacking energy: -412.081 Base-Backbone interact. energy: -4.176 local terms energy: -444.212234 where: bonds (distance) C4'-P energy: -91.644 bonds (distance) P-C4' energy: -87.244 flat angles C4'-P-C4' energy: -102.832 flat angles P-C4'-P energy: -55.098 tors. eta vs tors. theta energy: -107.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1279.597006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.597006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.597006 (E_RNA) where: Base-Base interactions energy: -852.766 where: short stacking energy: -395.794 Base-Backbone interact. energy: 0.936 local terms energy: -427.767039 where: bonds (distance) C4'-P energy: -84.510 bonds (distance) P-C4' energy: -84.028 flat angles C4'-P-C4' energy: -108.749 flat angles P-C4'-P energy: -49.241 tors. eta vs tors. theta energy: -101.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1141.868972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.868972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.868972 (E_RNA) where: Base-Base interactions energy: -725.573 where: short stacking energy: -353.490 Base-Backbone interact. energy: -1.690 local terms energy: -414.605773 where: bonds (distance) C4'-P energy: -93.054 bonds (distance) P-C4' energy: -77.913 flat angles C4'-P-C4' energy: -98.641 flat angles P-C4'-P energy: -57.107 tors. eta vs tors. theta energy: -87.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1069.968774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.968774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.968774 (E_RNA) where: Base-Base interactions energy: -681.307 where: short stacking energy: -325.985 Base-Backbone interact. energy: 2.970 local terms energy: -391.632094 where: bonds (distance) C4'-P energy: -76.438 bonds (distance) P-C4' energy: -86.309 flat angles C4'-P-C4' energy: -91.929 flat angles P-C4'-P energy: -59.523 tors. eta vs tors. theta energy: -77.433 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: 6 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1008.185292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.185292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.185292 (E_RNA) where: Base-Base interactions energy: -616.580 where: short stacking energy: -295.795 Base-Backbone interact. energy: -0.192 local terms energy: -391.414081 where: bonds (distance) C4'-P energy: -95.743 bonds (distance) P-C4' energy: -87.028 flat angles C4'-P-C4' energy: -77.696 flat angles P-C4'-P energy: -60.830 tors. eta vs tors. theta energy: -70.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -813.557178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.557178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.557178 (E_RNA) where: Base-Base interactions energy: -464.858 where: short stacking energy: -243.271 Base-Backbone interact. energy: -3.479 local terms energy: -345.219889 where: bonds (distance) C4'-P energy: -73.608 bonds (distance) P-C4' energy: -68.854 flat angles C4'-P-C4' energy: -97.603 flat angles P-C4'-P energy: -54.950 tors. eta vs tors. theta energy: -50.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -726.870305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.870305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.870305 (E_RNA) where: Base-Base interactions energy: -392.914 where: short stacking energy: -226.221 Base-Backbone interact. energy: 6.115 local terms energy: -340.070782 where: bonds (distance) C4'-P energy: -78.927 bonds (distance) P-C4' energy: -86.678 flat angles C4'-P-C4' energy: -77.077 flat angles P-C4'-P energy: -48.627 tors. eta vs tors. theta energy: -48.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -660.096887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.096887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.096887 (E_RNA) where: Base-Base interactions energy: -379.945 where: short stacking energy: -179.511 Base-Backbone interact. energy: 3.448 local terms energy: -283.600125 where: bonds (distance) C4'-P energy: -85.372 bonds (distance) P-C4' energy: -84.249 flat angles C4'-P-C4' energy: -66.134 flat angles P-C4'-P energy: -41.772 tors. eta vs tors. theta energy: -6.073 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: 10, replica: 8 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -526.004240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.004240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.004240 (E_RNA) where: Base-Base interactions energy: -267.892 where: short stacking energy: -156.300 Base-Backbone interact. energy: 2.697 local terms energy: -260.809338 where: bonds (distance) C4'-P energy: -77.292 bonds (distance) P-C4' energy: -73.794 flat angles C4'-P-C4' energy: -65.737 flat angles P-C4'-P energy: -43.026 tors. eta vs tors. theta energy: -0.960 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: 1, replica: 5 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1496.089735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.089735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.089735 (E_RNA) where: Base-Base interactions energy: -999.152 where: short stacking energy: -451.486 Base-Backbone interact. energy: -3.356 local terms energy: -493.581892 where: bonds (distance) C4'-P energy: -91.878 bonds (distance) P-C4' energy: -97.599 flat angles C4'-P-C4' energy: -101.919 flat angles P-C4'-P energy: -69.388 tors. eta vs tors. theta energy: -132.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1327.532043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.532043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.532043 (E_RNA) where: Base-Base interactions energy: -854.255 where: short stacking energy: -394.434 Base-Backbone interact. energy: -1.622 local terms energy: -471.654498 where: bonds (distance) C4'-P energy: -99.049 bonds (distance) P-C4' energy: -93.794 flat angles C4'-P-C4' energy: -95.400 flat angles P-C4'-P energy: -71.749 tors. eta vs tors. theta energy: -111.663 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: 9 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1281.356614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.356614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.356614 (E_RNA) where: Base-Base interactions energy: -855.824 where: short stacking energy: -390.845 Base-Backbone interact. energy: -2.608 local terms energy: -422.925591 where: bonds (distance) C4'-P energy: -93.492 bonds (distance) P-C4' energy: -75.246 flat angles C4'-P-C4' energy: -88.168 flat angles P-C4'-P energy: -64.262 tors. eta vs tors. theta energy: -101.757 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: 3 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1138.869501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.869501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.869501 (E_RNA) where: Base-Base interactions energy: -719.686 where: short stacking energy: -358.396 Base-Backbone interact. energy: -1.366 local terms energy: -417.817071 where: bonds (distance) C4'-P energy: -86.095 bonds (distance) P-C4' energy: -96.080 flat angles C4'-P-C4' energy: -91.962 flat angles P-C4'-P energy: -61.031 tors. eta vs tors. theta energy: -82.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1128.631861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.631861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.631861 (E_RNA) where: Base-Base interactions energy: -684.819 where: short stacking energy: -351.578 Base-Backbone interact. energy: 0.478 local terms energy: -444.291095 where: bonds (distance) C4'-P energy: -96.476 bonds (distance) P-C4' energy: -92.961 flat angles C4'-P-C4' energy: -93.810 flat angles P-C4'-P energy: -56.173 tors. eta vs tors. theta energy: -104.871 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: 6 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1006.581053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.581053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.581053 (E_RNA) where: Base-Base interactions energy: -606.750 where: short stacking energy: -266.327 Base-Backbone interact. energy: 0.505 local terms energy: -400.336013 where: bonds (distance) C4'-P energy: -92.139 bonds (distance) P-C4' energy: -102.017 flat angles C4'-P-C4' energy: -89.947 flat angles P-C4'-P energy: -51.139 tors. eta vs tors. theta energy: -65.094 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: 7, replica: 4 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -794.478246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.478246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.478246 (E_RNA) where: Base-Base interactions energy: -475.706 where: short stacking energy: -211.612 Base-Backbone interact. energy: 2.082 local terms energy: -320.854025 where: bonds (distance) C4'-P energy: -73.044 bonds (distance) P-C4' energy: -86.421 flat angles C4'-P-C4' energy: -78.714 flat angles P-C4'-P energy: -53.389 tors. eta vs tors. theta energy: -29.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -756.511869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.511869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.511869 (E_RNA) where: Base-Base interactions energy: -429.161 where: short stacking energy: -231.481 Base-Backbone interact. energy: -1.125 local terms energy: -326.226160 where: bonds (distance) C4'-P energy: -80.981 bonds (distance) P-C4' energy: -74.732 flat angles C4'-P-C4' energy: -82.333 flat angles P-C4'-P energy: -41.293 tors. eta vs tors. theta energy: -46.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -616.950317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.950317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.950317 (E_RNA) where: Base-Base interactions energy: -341.494 where: short stacking energy: -176.131 Base-Backbone interact. energy: 0.033 local terms energy: -275.489538 where: bonds (distance) C4'-P energy: -77.269 bonds (distance) P-C4' energy: -65.634 flat angles C4'-P-C4' energy: -77.313 flat angles P-C4'-P energy: -43.045 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: 10, replica: 8 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -514.669727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.669727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.669727 (E_RNA) where: Base-Base interactions energy: -252.761 where: short stacking energy: -128.702 Base-Backbone interact. energy: 2.944 local terms energy: -264.852863 where: bonds (distance) C4'-P energy: -92.057 bonds (distance) P-C4' energy: -73.714 flat angles C4'-P-C4' energy: -68.247 flat angles P-C4'-P energy: -36.574 tors. eta vs tors. theta energy: 5.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1527.618741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.618741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.618741 (E_RNA) where: Base-Base interactions energy: -1025.325 where: short stacking energy: -477.982 Base-Backbone interact. energy: -4.002 local terms energy: -498.292056 where: bonds (distance) C4'-P energy: -78.548 bonds (distance) P-C4' energy: -92.958 flat angles C4'-P-C4' energy: -110.425 flat angles P-C4'-P energy: -74.951 tors. eta vs tors. theta energy: -141.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1344.667575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.667575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.667575 (E_RNA) where: Base-Base interactions energy: -871.662 where: short stacking energy: -402.395 Base-Backbone interact. energy: 1.111 local terms energy: -474.117106 where: bonds (distance) C4'-P energy: -97.842 bonds (distance) P-C4' energy: -89.503 flat angles C4'-P-C4' energy: -106.831 flat angles P-C4'-P energy: -64.275 tors. eta vs tors. theta energy: -115.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1280.782417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.782417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.782417 (E_RNA) where: Base-Base interactions energy: -809.735 where: short stacking energy: -387.192 Base-Backbone interact. energy: -2.566 local terms energy: -468.481464 where: bonds (distance) C4'-P energy: -90.879 bonds (distance) P-C4' energy: -92.747 flat angles C4'-P-C4' energy: -109.977 flat angles P-C4'-P energy: -71.866 tors. eta vs tors. theta energy: -103.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1125.767609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.767609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.767609 (E_RNA) where: Base-Base interactions energy: -723.909 where: short stacking energy: -352.985 Base-Backbone interact. energy: 1.171 local terms energy: -403.029734 where: bonds (distance) C4'-P energy: -80.928 bonds (distance) P-C4' energy: -91.129 flat angles C4'-P-C4' energy: -89.249 flat angles P-C4'-P energy: -60.465 tors. eta vs tors. theta energy: -81.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1072.213212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.213212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.213212 (E_RNA) where: Base-Base interactions energy: -663.958 where: short stacking energy: -299.787 Base-Backbone interact. energy: -1.105 local terms energy: -407.150204 where: bonds (distance) C4'-P energy: -86.497 bonds (distance) P-C4' energy: -88.827 flat angles C4'-P-C4' energy: -92.512 flat angles P-C4'-P energy: -57.691 tors. eta vs tors. theta energy: -81.623 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: 6 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1004.394666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.394666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.394666 (E_RNA) where: Base-Base interactions energy: -620.015 where: short stacking energy: -285.475 Base-Backbone interact. energy: -2.822 local terms energy: -381.557930 where: bonds (distance) C4'-P energy: -93.694 bonds (distance) P-C4' energy: -78.835 flat angles C4'-P-C4' energy: -92.474 flat angles P-C4'-P energy: -57.675 tors. eta vs tors. theta energy: -58.880 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: 4 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -819.950802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.950802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.950802 (E_RNA) where: Base-Base interactions energy: -489.162 where: short stacking energy: -238.992 Base-Backbone interact. energy: 8.575 local terms energy: -339.364569 where: bonds (distance) C4'-P energy: -86.150 bonds (distance) P-C4' energy: -83.332 flat angles C4'-P-C4' energy: -69.291 flat angles P-C4'-P energy: -60.584 tors. eta vs tors. theta energy: -40.008 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: 1 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -700.528505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.528505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.528505 (E_RNA) where: Base-Base interactions energy: -381.898 where: short stacking energy: -194.006 Base-Backbone interact. energy: -4.282 local terms energy: -314.348499 where: bonds (distance) C4'-P energy: -92.191 bonds (distance) P-C4' energy: -78.125 flat angles C4'-P-C4' energy: -78.180 flat angles P-C4'-P energy: -49.717 tors. eta vs tors. theta energy: -16.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -518.416053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.416053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.416053 (E_RNA) where: Base-Base interactions energy: -273.583 where: short stacking energy: -161.874 Base-Backbone interact. energy: 0.103 local terms energy: -244.936020 where: bonds (distance) C4'-P energy: -68.725 bonds (distance) P-C4' energy: -78.555 flat angles C4'-P-C4' energy: -75.871 flat angles P-C4'-P energy: -42.913 tors. eta vs tors. theta energy: 21.128 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: 162 Temperature: 1.350000 Total energy: -578.492391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.492391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.492391 (E_RNA) where: Base-Base interactions energy: -317.367 where: short stacking energy: -150.575 Base-Backbone interact. energy: 1.414 local terms energy: -262.539971 where: bonds (distance) C4'-P energy: -78.469 bonds (distance) P-C4' energy: -69.499 flat angles C4'-P-C4' energy: -69.459 flat angles P-C4'-P energy: -47.651 tors. eta vs tors. theta energy: 2.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1517.162343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.162343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.162343 (E_RNA) where: Base-Base interactions energy: -1000.976 where: short stacking energy: -473.897 Base-Backbone interact. energy: -3.051 local terms energy: -513.135531 where: bonds (distance) C4'-P energy: -88.873 bonds (distance) P-C4' energy: -91.006 flat angles C4'-P-C4' energy: -117.631 flat angles P-C4'-P energy: -74.565 tors. eta vs tors. theta energy: -141.060 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: 2, replica: 10 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1384.913151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.913151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.913151 (E_RNA) where: Base-Base interactions energy: -917.103 where: short stacking energy: -371.764 Base-Backbone interact. energy: -3.945 local terms energy: -463.865414 where: bonds (distance) C4'-P energy: -96.935 bonds (distance) P-C4' energy: -101.180 flat angles C4'-P-C4' energy: -102.618 flat angles P-C4'-P energy: -57.624 tors. eta vs tors. theta energy: -105.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1266.439101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.439101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.439101 (E_RNA) where: Base-Base interactions energy: -819.173 where: short stacking energy: -398.477 Base-Backbone interact. energy: -3.565 local terms energy: -443.702032 where: bonds (distance) C4'-P energy: -89.424 bonds (distance) P-C4' energy: -91.696 flat angles C4'-P-C4' energy: -104.525 flat angles P-C4'-P energy: -63.044 tors. eta vs tors. theta energy: -95.013 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: 3 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -1120.527562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.527562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.527562 (E_RNA) where: Base-Base interactions energy: -701.369 where: short stacking energy: -334.526 Base-Backbone interact. energy: -0.687 local terms energy: -418.471341 where: bonds (distance) C4'-P energy: -73.514 bonds (distance) P-C4' energy: -85.902 flat angles C4'-P-C4' energy: -97.447 flat angles P-C4'-P energy: -73.329 tors. eta vs tors. theta energy: -88.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1113.072601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.072601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.072601 (E_RNA) where: Base-Base interactions energy: -706.615 where: short stacking energy: -337.627 Base-Backbone interact. energy: -0.481 local terms energy: -405.976467 where: bonds (distance) C4'-P energy: -74.837 bonds (distance) P-C4' energy: -86.332 flat angles C4'-P-C4' energy: -89.271 flat angles P-C4'-P energy: -68.749 tors. eta vs tors. theta energy: -86.788 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: 6 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1007.393911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.393911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.393911 (E_RNA) where: Base-Base interactions energy: -606.492 where: short stacking energy: -299.508 Base-Backbone interact. energy: 1.055 local terms energy: -401.956368 where: bonds (distance) C4'-P energy: -81.007 bonds (distance) P-C4' energy: -92.662 flat angles C4'-P-C4' energy: -94.211 flat angles P-C4'-P energy: -47.361 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: 7, replica: 4 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -794.815456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.815456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.815456 (E_RNA) where: Base-Base interactions energy: -449.070 where: short stacking energy: -227.094 Base-Backbone interact. energy: -0.970 local terms energy: -344.776080 where: bonds (distance) C4'-P energy: -79.338 bonds (distance) P-C4' energy: -92.756 flat angles C4'-P-C4' energy: -83.881 flat angles P-C4'-P energy: -57.761 tors. eta vs tors. theta energy: -31.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -720.585663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.585663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.585663 (E_RNA) where: Base-Base interactions energy: -407.916 where: short stacking energy: -218.481 Base-Backbone interact. energy: 6.086 local terms energy: -318.755800 where: bonds (distance) C4'-P energy: -72.907 bonds (distance) P-C4' energy: -90.739 flat angles C4'-P-C4' energy: -68.262 flat angles P-C4'-P energy: -49.924 tors. eta vs tors. theta energy: -36.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -554.789176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.789176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.789176 (E_RNA) where: Base-Base interactions energy: -246.580 where: short stacking energy: -151.137 Base-Backbone interact. energy: -1.763 local terms energy: -306.446158 where: bonds (distance) C4'-P energy: -85.925 bonds (distance) P-C4' energy: -82.331 flat angles C4'-P-C4' energy: -70.355 flat angles P-C4'-P energy: -52.481 tors. eta vs tors. theta energy: -15.354 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: 7 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -622.022698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.022698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.022698 (E_RNA) where: Base-Base interactions energy: -324.235 where: short stacking energy: -169.411 Base-Backbone interact. energy: -0.226 local terms energy: -297.561766 where: bonds (distance) C4'-P energy: -89.596 bonds (distance) P-C4' energy: -86.609 flat angles C4'-P-C4' energy: -71.087 flat angles P-C4'-P energy: -38.935 tors. eta vs tors. theta energy: -11.335 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: 1, replica: 5 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1508.293583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.293583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.293583 (E_RNA) where: Base-Base interactions energy: -1005.596 where: short stacking energy: -465.364 Base-Backbone interact. energy: -0.051 local terms energy: -502.646056 where: bonds (distance) C4'-P energy: -94.789 bonds (distance) P-C4' energy: -97.543 flat angles C4'-P-C4' energy: -112.036 flat angles P-C4'-P energy: -60.404 tors. eta vs tors. theta energy: -137.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1364.120751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.120751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.120751 (E_RNA) where: Base-Base interactions energy: -903.449 where: short stacking energy: -411.928 Base-Backbone interact. energy: -3.187 local terms energy: -457.484357 where: bonds (distance) C4'-P energy: -88.241 bonds (distance) P-C4' energy: -94.289 flat angles C4'-P-C4' energy: -100.293 flat angles P-C4'-P energy: -59.579 tors. eta vs tors. theta energy: -115.083 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: 9 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1282.025621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.025621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.025621 (E_RNA) where: Base-Base interactions energy: -824.844 where: short stacking energy: -385.042 Base-Backbone interact. energy: 3.380 local terms energy: -460.561943 where: bonds (distance) C4'-P energy: -88.006 bonds (distance) P-C4' energy: -101.182 flat angles C4'-P-C4' energy: -91.031 flat angles P-C4'-P energy: -77.896 tors. eta vs tors. theta energy: -102.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1156.889591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.889591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.889591 (E_RNA) where: Base-Base interactions energy: -740.541 where: short stacking energy: -349.504 Base-Backbone interact. energy: 7.395 local terms energy: -423.743996 where: bonds (distance) C4'-P energy: -75.460 bonds (distance) P-C4' energy: -88.231 flat angles C4'-P-C4' energy: -102.110 flat angles P-C4'-P energy: -68.451 tors. eta vs tors. theta energy: -89.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1108.045249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.045249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.045249 (E_RNA) where: Base-Base interactions energy: -694.527 where: short stacking energy: -317.556 Base-Backbone interact. energy: -0.938 local terms energy: -412.580910 where: bonds (distance) C4'-P energy: -91.651 bonds (distance) P-C4' energy: -78.317 flat angles C4'-P-C4' energy: -95.367 flat angles P-C4'-P energy: -70.411 tors. eta vs tors. theta energy: -76.835 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: 6 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -980.797951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.797951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.797951 (E_RNA) where: Base-Base interactions energy: -614.934 where: short stacking energy: -295.039 Base-Backbone interact. energy: -1.565 local terms energy: -364.298369 where: bonds (distance) C4'-P energy: -72.897 bonds (distance) P-C4' energy: -97.544 flat angles C4'-P-C4' energy: -85.609 flat angles P-C4'-P energy: -52.992 tors. eta vs tors. theta energy: -55.256 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: 4 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -785.878079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.878079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.878079 (E_RNA) where: Base-Base interactions energy: -472.199 where: short stacking energy: -229.260 Base-Backbone interact. energy: 2.123 local terms energy: -315.802513 where: bonds (distance) C4'-P energy: -76.926 bonds (distance) P-C4' energy: -77.948 flat angles C4'-P-C4' energy: -77.783 flat angles P-C4'-P energy: -53.282 tors. eta vs tors. theta energy: -29.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -738.694339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.694339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.694339 (E_RNA) where: Base-Base interactions energy: -411.103 where: short stacking energy: -224.796 Base-Backbone interact. energy: -0.773 local terms energy: -326.818151 where: bonds (distance) C4'-P energy: -77.561 bonds (distance) P-C4' energy: -68.880 flat angles C4'-P-C4' energy: -80.436 flat angles P-C4'-P energy: -44.477 tors. eta vs tors. theta energy: -55.465 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: 8 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -552.305481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.305481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.305481 (E_RNA) where: Base-Base interactions energy: -244.861 where: short stacking energy: -152.935 Base-Backbone interact. energy: -1.043 local terms energy: -306.401655 where: bonds (distance) C4'-P energy: -94.244 bonds (distance) P-C4' energy: -72.032 flat angles C4'-P-C4' energy: -93.404 flat angles P-C4'-P energy: -37.957 tors. eta vs tors. theta energy: -8.764 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: 7 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -581.912479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.912479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.912479 (E_RNA) where: Base-Base interactions energy: -319.425 where: short stacking energy: -173.995 Base-Backbone interact. energy: -2.196 local terms energy: -260.291265 where: bonds (distance) C4'-P energy: -68.974 bonds (distance) P-C4' energy: -88.864 flat angles C4'-P-C4' energy: -65.301 flat angles P-C4'-P energy: -25.611 tors. eta vs tors. theta energy: -11.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1527.057051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.057051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.057051 (E_RNA) where: Base-Base interactions energy: -995.513 where: short stacking energy: -452.965 Base-Backbone interact. energy: -2.095 local terms energy: -529.448970 where: bonds (distance) C4'-P energy: -106.488 bonds (distance) P-C4' energy: -96.962 flat angles C4'-P-C4' energy: -106.360 flat angles P-C4'-P energy: -80.931 tors. eta vs tors. theta energy: -138.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1344.119776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.119776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.119776 (E_RNA) where: Base-Base interactions energy: -863.337 where: short stacking energy: -399.129 Base-Backbone interact. energy: -3.745 local terms energy: -477.037662 where: bonds (distance) C4'-P energy: -95.642 bonds (distance) P-C4' energy: -85.941 flat angles C4'-P-C4' energy: -103.587 flat angles P-C4'-P energy: -74.549 tors. eta vs tors. theta energy: -117.318 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: 9 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1246.565312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.565312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.565312 (E_RNA) where: Base-Base interactions energy: -806.577 where: short stacking energy: -404.839 Base-Backbone interact. energy: 0.118 local terms energy: -440.106076 where: bonds (distance) C4'-P energy: -79.756 bonds (distance) P-C4' energy: -103.210 flat angles C4'-P-C4' energy: -99.085 flat angles P-C4'-P energy: -42.384 tors. eta vs tors. theta energy: -115.671 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: 4, replica: 2 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1127.321804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.321804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.321804 (E_RNA) where: Base-Base interactions energy: -696.276 where: short stacking energy: -328.989 Base-Backbone interact. energy: -2.310 local terms energy: -428.735271 where: bonds (distance) C4'-P energy: -77.252 bonds (distance) P-C4' energy: -96.848 flat angles C4'-P-C4' energy: -92.959 flat angles P-C4'-P energy: -63.910 tors. eta vs tors. theta energy: -97.767 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: 3 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1141.673744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.673744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.673744 (E_RNA) where: Base-Base interactions energy: -739.403 where: short stacking energy: -350.353 Base-Backbone interact. energy: -0.098 local terms energy: -402.172848 where: bonds (distance) C4'-P energy: -84.516 bonds (distance) P-C4' energy: -94.830 flat angles C4'-P-C4' energy: -89.761 flat angles P-C4'-P energy: -44.921 tors. eta vs tors. theta energy: -88.145 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: 6 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1005.754434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.754434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.754434 (E_RNA) where: Base-Base interactions energy: -631.495 where: short stacking energy: -277.764 Base-Backbone interact. energy: -0.592 local terms energy: -373.667439 where: bonds (distance) C4'-P energy: -78.636 bonds (distance) P-C4' energy: -89.501 flat angles C4'-P-C4' energy: -89.797 flat angles P-C4'-P energy: -64.730 tors. eta vs tors. theta energy: -51.004 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: 4 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -804.348495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.348495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.348495 (E_RNA) where: Base-Base interactions energy: -489.619 where: short stacking energy: -239.384 Base-Backbone interact. energy: 0.820 local terms energy: -315.549743 where: bonds (distance) C4'-P energy: -79.432 bonds (distance) P-C4' energy: -84.681 flat angles C4'-P-C4' energy: -73.251 flat angles P-C4'-P energy: -54.341 tors. eta vs tors. theta energy: -23.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -725.014832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.014832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.014832 (E_RNA) where: Base-Base interactions energy: -442.292 where: short stacking energy: -223.815 Base-Backbone interact. energy: 2.702 local terms energy: -285.424850 where: bonds (distance) C4'-P energy: -70.155 bonds (distance) P-C4' energy: -72.720 flat angles C4'-P-C4' energy: -68.800 flat angles P-C4'-P energy: -48.895 tors. eta vs tors. theta energy: -24.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -509.947141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.947141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.947141 (E_RNA) where: Base-Base interactions energy: -212.402 where: short stacking energy: -126.595 Base-Backbone interact. energy: 3.560 local terms energy: -301.105143 where: bonds (distance) C4'-P energy: -78.618 bonds (distance) P-C4' energy: -88.987 flat angles C4'-P-C4' energy: -77.125 flat angles P-C4'-P energy: -60.402 tors. eta vs tors. theta energy: 4.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -590.397073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.397073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.397073 (E_RNA) where: Base-Base interactions energy: -316.598 where: short stacking energy: -137.464 Base-Backbone interact. energy: -0.265 local terms energy: -273.534763 where: bonds (distance) C4'-P energy: -58.433 bonds (distance) P-C4' energy: -90.643 flat angles C4'-P-C4' energy: -77.343 flat angles P-C4'-P energy: -47.119 tors. eta vs tors. theta energy: 0.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1506.471053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.471053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.471053 (E_RNA) where: Base-Base interactions energy: -992.964 where: short stacking energy: -456.984 Base-Backbone interact. energy: -0.249 local terms energy: -513.258661 where: bonds (distance) C4'-P energy: -95.629 bonds (distance) P-C4' energy: -92.004 flat angles C4'-P-C4' energy: -104.149 flat angles P-C4'-P energy: -81.689 tors. eta vs tors. theta energy: -139.788 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: 10 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1370.625240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.625240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.625240 (E_RNA) where: Base-Base interactions energy: -893.539 where: short stacking energy: -420.693 Base-Backbone interact. energy: -1.135 local terms energy: -475.951630 where: bonds (distance) C4'-P energy: -101.239 bonds (distance) P-C4' energy: -93.185 flat angles C4'-P-C4' energy: -105.680 flat angles P-C4'-P energy: -60.529 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: 9 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1273.945060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.945060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.945060 (E_RNA) where: Base-Base interactions energy: -800.232 where: short stacking energy: -378.533 Base-Backbone interact. energy: 0.160 local terms energy: -473.872327 where: bonds (distance) C4'-P energy: -95.343 bonds (distance) P-C4' energy: -105.155 flat angles C4'-P-C4' energy: -96.531 flat angles P-C4'-P energy: -67.241 tors. eta vs tors. theta energy: -109.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1143.238554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.238554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.238554 (E_RNA) where: Base-Base interactions energy: -725.655 where: short stacking energy: -354.930 Base-Backbone interact. energy: -0.654 local terms energy: -416.930364 where: bonds (distance) C4'-P energy: -89.871 bonds (distance) P-C4' energy: -86.830 flat angles C4'-P-C4' energy: -91.443 flat angles P-C4'-P energy: -56.970 tors. eta vs tors. theta energy: -91.817 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: 6 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1092.620399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.620399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.620399 (E_RNA) where: Base-Base interactions energy: -676.988 where: short stacking energy: -305.035 Base-Backbone interact. energy: -1.875 local terms energy: -413.757250 where: bonds (distance) C4'-P energy: -90.370 bonds (distance) P-C4' energy: -100.627 flat angles C4'-P-C4' energy: -88.542 flat angles P-C4'-P energy: -63.579 tors. eta vs tors. theta energy: -70.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1077.306571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.306571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.306571 (E_RNA) where: Base-Base interactions energy: -690.368 where: short stacking energy: -327.356 Base-Backbone interact. energy: -1.359 local terms energy: -385.579238 where: bonds (distance) C4'-P energy: -73.031 bonds (distance) P-C4' energy: -87.119 flat angles C4'-P-C4' energy: -96.921 flat angles P-C4'-P energy: -54.378 tors. eta vs tors. theta energy: -74.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -793.499170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.499170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.499170 (E_RNA) where: Base-Base interactions energy: -450.657 where: short stacking energy: -238.022 Base-Backbone interact. energy: 1.582 local terms energy: -344.424267 where: bonds (distance) C4'-P energy: -85.263 bonds (distance) P-C4' energy: -81.478 flat angles C4'-P-C4' energy: -79.449 flat angles P-C4'-P energy: -51.723 tors. eta vs tors. theta energy: -46.511 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: 8, replica: 1 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -761.992577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.992577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.992577 (E_RNA) where: Base-Base interactions energy: -448.133 where: short stacking energy: -220.742 Base-Backbone interact. energy: 0.329 local terms energy: -314.188161 where: bonds (distance) C4'-P energy: -75.275 bonds (distance) P-C4' energy: -81.248 flat angles C4'-P-C4' energy: -65.337 flat angles P-C4'-P energy: -61.502 tors. eta vs tors. theta energy: -30.827 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: 7 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -622.164172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.164172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.164172 (E_RNA) where: Base-Base interactions energy: -332.360 where: short stacking energy: -170.496 Base-Backbone interact. energy: 0.688 local terms energy: -290.492270 where: bonds (distance) C4'-P energy: -84.721 bonds (distance) P-C4' energy: -77.589 flat angles C4'-P-C4' energy: -65.922 flat angles P-C4'-P energy: -44.957 tors. eta vs tors. theta energy: -17.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -495.736238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.736238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.736238 (E_RNA) where: Base-Base interactions energy: -217.022 where: short stacking energy: -127.428 Base-Backbone interact. energy: -1.907 local terms energy: -276.807784 where: bonds (distance) C4'-P energy: -78.994 bonds (distance) P-C4' energy: -78.850 flat angles C4'-P-C4' energy: -65.993 flat angles P-C4'-P energy: -52.478 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: 1, replica: 5 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1500.042393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.042393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.042393 (E_RNA) where: Base-Base interactions energy: -1002.724 where: short stacking energy: -487.581 Base-Backbone interact. energy: -0.282 local terms energy: -497.036808 where: bonds (distance) C4'-P energy: -87.583 bonds (distance) P-C4' energy: -95.694 flat angles C4'-P-C4' energy: -91.492 flat angles P-C4'-P energy: -71.435 tors. eta vs tors. theta energy: -150.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1341.252805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.252805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.252805 (E_RNA) where: Base-Base interactions energy: -877.585 where: short stacking energy: -421.094 Base-Backbone interact. energy: -1.121 local terms energy: -462.546680 where: bonds (distance) C4'-P energy: -87.411 bonds (distance) P-C4' energy: -96.707 flat angles C4'-P-C4' energy: -102.970 flat angles P-C4'-P energy: -67.696 tors. eta vs tors. theta energy: -107.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1255.953753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.953753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.953753 (E_RNA) where: Base-Base interactions energy: -797.805 where: short stacking energy: -368.929 Base-Backbone interact. energy: -1.709 local terms energy: -456.440374 where: bonds (distance) C4'-P energy: -93.079 bonds (distance) P-C4' energy: -90.399 flat angles C4'-P-C4' energy: -109.288 flat angles P-C4'-P energy: -60.122 tors. eta vs tors. theta energy: -103.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1178.840638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.840638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.840638 (E_RNA) where: Base-Base interactions energy: -738.618 where: short stacking energy: -362.120 Base-Backbone interact. energy: 4.903 local terms energy: -445.125634 where: bonds (distance) C4'-P energy: -96.681 bonds (distance) P-C4' energy: -100.195 flat angles C4'-P-C4' energy: -101.703 flat angles P-C4'-P energy: -52.604 tors. eta vs tors. theta energy: -93.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1111.507144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.507144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.507144 (E_RNA) where: Base-Base interactions energy: -707.235 where: short stacking energy: -320.695 Base-Backbone interact. energy: 1.931 local terms energy: -406.203165 where: bonds (distance) C4'-P energy: -88.124 bonds (distance) P-C4' energy: -91.194 flat angles C4'-P-C4' energy: -92.361 flat angles P-C4'-P energy: -58.293 tors. eta vs tors. theta energy: -76.231 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: 3 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1056.465032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.465032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.465032 (E_RNA) where: Base-Base interactions energy: -677.734 where: short stacking energy: -302.793 Base-Backbone interact. energy: 0.007 local terms energy: -378.738016 where: bonds (distance) C4'-P energy: -80.876 bonds (distance) P-C4' energy: -86.953 flat angles C4'-P-C4' energy: -91.191 flat angles P-C4'-P energy: -55.278 tors. eta vs tors. theta energy: -64.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -885.069401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.069401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.069401 (E_RNA) where: Base-Base interactions energy: -535.633 where: short stacking energy: -253.960 Base-Backbone interact. energy: -0.604 local terms energy: -348.832407 where: bonds (distance) C4'-P energy: -88.337 bonds (distance) P-C4' energy: -86.714 flat angles C4'-P-C4' energy: -82.183 flat angles P-C4'-P energy: -50.964 tors. eta vs tors. theta energy: -40.634 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: 7 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -630.445955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.445955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.445955 (E_RNA) where: Base-Base interactions energy: -343.679 where: short stacking energy: -177.617 Base-Backbone interact. energy: 1.495 local terms energy: -288.261821 where: bonds (distance) C4'-P energy: -84.197 bonds (distance) P-C4' energy: -88.376 flat angles C4'-P-C4' energy: -63.760 flat angles P-C4'-P energy: -38.280 tors. eta vs tors. theta energy: -13.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -693.776568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.776568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.776568 (E_RNA) where: Base-Base interactions energy: -400.219 where: short stacking energy: -197.086 Base-Backbone interact. energy: -4.819 local terms energy: -288.738622 where: bonds (distance) C4'-P energy: -67.327 bonds (distance) P-C4' energy: -90.914 flat angles C4'-P-C4' energy: -77.372 flat angles P-C4'-P energy: -49.362 tors. eta vs tors. theta energy: -3.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -482.270735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.270735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.270735 (E_RNA) where: Base-Base interactions energy: -236.168 where: short stacking energy: -136.788 Base-Backbone interact. energy: 0.110 local terms energy: -246.213699 where: bonds (distance) C4'-P energy: -71.172 bonds (distance) P-C4' energy: -74.141 flat angles C4'-P-C4' energy: -69.280 flat angles P-C4'-P energy: -44.473 tors. eta vs tors. theta energy: 12.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1514.927780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.927780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.927780 (E_RNA) where: Base-Base interactions energy: -989.917 where: short stacking energy: -471.389 Base-Backbone interact. energy: -1.756 local terms energy: -523.254065 where: bonds (distance) C4'-P energy: -102.043 bonds (distance) P-C4' energy: -92.776 flat angles C4'-P-C4' energy: -114.824 flat angles P-C4'-P energy: -71.495 tors. eta vs tors. theta energy: -142.116 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: 10 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1331.217893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.217893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.217893 (E_RNA) where: Base-Base interactions energy: -845.762 where: short stacking energy: -414.468 Base-Backbone interact. energy: -2.245 local terms energy: -483.210902 where: bonds (distance) C4'-P energy: -98.503 bonds (distance) P-C4' energy: -92.396 flat angles C4'-P-C4' energy: -107.374 flat angles P-C4'-P energy: -71.318 tors. eta vs tors. theta energy: -113.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1275.740649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.740649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.740649 (E_RNA) where: Base-Base interactions energy: -856.096 where: short stacking energy: -371.857 Base-Backbone interact. energy: 3.459 local terms energy: -423.103551 where: bonds (distance) C4'-P energy: -87.624 bonds (distance) P-C4' energy: -89.305 flat angles C4'-P-C4' energy: -85.797 flat angles P-C4'-P energy: -73.184 tors. eta vs tors. theta energy: -87.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1156.425716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.425716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.425716 (E_RNA) where: Base-Base interactions energy: -729.123 where: short stacking energy: -346.082 Base-Backbone interact. energy: 6.032 local terms energy: -433.335163 where: bonds (distance) C4'-P energy: -81.046 bonds (distance) P-C4' energy: -81.680 flat angles C4'-P-C4' energy: -96.478 flat angles P-C4'-P energy: -70.933 tors. eta vs tors. theta energy: -103.199 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: 3 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1077.252513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.252513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.252513 (E_RNA) where: Base-Base interactions energy: -686.933 where: short stacking energy: -331.115 Base-Backbone interact. energy: -0.770 local terms energy: -389.549774 where: bonds (distance) C4'-P energy: -77.281 bonds (distance) P-C4' energy: -90.833 flat angles C4'-P-C4' energy: -105.096 flat angles P-C4'-P energy: -42.787 tors. eta vs tors. theta energy: -73.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1066.768722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.768722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.768722 (E_RNA) where: Base-Base interactions energy: -687.711 where: short stacking energy: -312.485 Base-Backbone interact. energy: 1.446 local terms energy: -380.503504 where: bonds (distance) C4'-P energy: -89.714 bonds (distance) P-C4' energy: -86.156 flat angles C4'-P-C4' energy: -82.062 flat angles P-C4'-P energy: -49.497 tors. eta vs tors. theta energy: -73.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -847.455004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.455004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.455004 (E_RNA) where: Base-Base interactions energy: -492.905 where: short stacking energy: -228.891 Base-Backbone interact. energy: -2.232 local terms energy: -352.317931 where: bonds (distance) C4'-P energy: -97.166 bonds (distance) P-C4' energy: -82.183 flat angles C4'-P-C4' energy: -76.402 flat angles P-C4'-P energy: -60.358 tors. eta vs tors. theta energy: -36.210 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: 7 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -675.860682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.860682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.860682 (E_RNA) where: Base-Base interactions energy: -393.229 where: short stacking energy: -207.447 Base-Backbone interact. energy: -1.750 local terms energy: -280.882439 where: bonds (distance) C4'-P energy: -63.876 bonds (distance) P-C4' energy: -98.641 flat angles C4'-P-C4' energy: -58.237 flat angles P-C4'-P energy: -34.057 tors. eta vs tors. theta energy: -26.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -674.715893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.715893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.715893 (E_RNA) where: Base-Base interactions energy: -391.435 where: short stacking energy: -190.916 Base-Backbone interact. energy: 0.064 local terms energy: -283.345541 where: bonds (distance) C4'-P energy: -76.858 bonds (distance) P-C4' energy: -75.810 flat angles C4'-P-C4' energy: -66.947 flat angles P-C4'-P energy: -45.052 tors. eta vs tors. theta energy: -18.678 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: 8 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -504.642953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.642953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.642953 (E_RNA) where: Base-Base interactions energy: -242.767 where: short stacking energy: -143.493 Base-Backbone interact. energy: 1.633 local terms energy: -263.508685 where: bonds (distance) C4'-P energy: -66.572 bonds (distance) P-C4' energy: -67.723 flat angles C4'-P-C4' energy: -76.976 flat angles P-C4'-P energy: -46.513 tors. eta vs tors. theta energy: -5.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1509.355777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.355777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.355777 (E_RNA) where: Base-Base interactions energy: -1004.309 where: short stacking energy: -465.146 Base-Backbone interact. energy: -1.789 local terms energy: -503.257948 where: bonds (distance) C4'-P energy: -90.181 bonds (distance) P-C4' energy: -93.529 flat angles C4'-P-C4' energy: -105.225 flat angles P-C4'-P energy: -69.589 tors. eta vs tors. theta energy: -144.733 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: 10 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1339.860298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.860298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.860298 (E_RNA) where: Base-Base interactions energy: -875.195 where: short stacking energy: -406.110 Base-Backbone interact. energy: -2.717 local terms energy: -461.948372 where: bonds (distance) C4'-P energy: -98.952 bonds (distance) P-C4' energy: -91.497 flat angles C4'-P-C4' energy: -103.107 flat angles P-C4'-P energy: -58.450 tors. eta vs tors. theta energy: -109.942 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: 9 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1297.611056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.611056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.611056 (E_RNA) where: Base-Base interactions energy: -858.528 where: short stacking energy: -413.437 Base-Backbone interact. energy: -0.534 local terms energy: -438.549251 where: bonds (distance) C4'-P energy: -72.422 bonds (distance) P-C4' energy: -92.760 flat angles C4'-P-C4' energy: -108.281 flat angles P-C4'-P energy: -63.110 tors. eta vs tors. theta energy: -101.976 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: 2 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1156.902096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.902096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.902096 (E_RNA) where: Base-Base interactions energy: -747.950 where: short stacking energy: -368.247 Base-Backbone interact. energy: 1.118 local terms energy: -410.070756 where: bonds (distance) C4'-P energy: -78.958 bonds (distance) P-C4' energy: -71.306 flat angles C4'-P-C4' energy: -101.802 flat angles P-C4'-P energy: -62.822 tors. eta vs tors. theta energy: -95.182 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: 3 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1097.011051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.011051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.011051 (E_RNA) where: Base-Base interactions energy: -660.687 where: short stacking energy: -318.902 Base-Backbone interact. energy: 0.597 local terms energy: -436.921023 where: bonds (distance) C4'-P energy: -87.296 bonds (distance) P-C4' energy: -99.183 flat angles C4'-P-C4' energy: -105.138 flat angles P-C4'-P energy: -53.777 tors. eta vs tors. theta energy: -91.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1055.283585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.283585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.283585 (E_RNA) where: Base-Base interactions energy: -679.875 where: short stacking energy: -271.773 Base-Backbone interact. energy: 2.305 local terms energy: -377.713571 where: bonds (distance) C4'-P energy: -83.091 bonds (distance) P-C4' energy: -93.172 flat angles C4'-P-C4' energy: -90.336 flat angles P-C4'-P energy: -50.895 tors. eta vs tors. theta energy: -60.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -820.456977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.456977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.456977 (E_RNA) where: Base-Base interactions energy: -495.833 where: short stacking energy: -227.468 Base-Backbone interact. energy: -2.600 local terms energy: -322.024282 where: bonds (distance) C4'-P energy: -85.734 bonds (distance) P-C4' energy: -64.431 flat angles C4'-P-C4' energy: -87.602 flat angles P-C4'-P energy: -58.689 tors. eta vs tors. theta energy: -25.568 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: 7 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -678.673671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.673671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.673671 (E_RNA) where: Base-Base interactions energy: -364.637 where: short stacking energy: -191.097 Base-Backbone interact. energy: -3.537 local terms energy: -310.499658 where: bonds (distance) C4'-P energy: -88.446 bonds (distance) P-C4' energy: -87.006 flat angles C4'-P-C4' energy: -66.760 flat angles P-C4'-P energy: -51.462 tors. eta vs tors. theta energy: -16.826 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: 1 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -568.354054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.354054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.354054 (E_RNA) where: Base-Base interactions energy: -292.330 where: short stacking energy: -142.990 Base-Backbone interact. energy: 0.326 local terms energy: -276.349728 where: bonds (distance) C4'-P energy: -75.612 bonds (distance) P-C4' energy: -90.123 flat angles C4'-P-C4' energy: -70.013 flat angles P-C4'-P energy: -46.914 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: 10, replica: 8 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -516.234828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.234828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.234828 (E_RNA) where: Base-Base interactions energy: -266.988 where: short stacking energy: -141.589 Base-Backbone interact. energy: 2.614 local terms energy: -251.860691 where: bonds (distance) C4'-P energy: -71.712 bonds (distance) P-C4' energy: -77.341 flat angles C4'-P-C4' energy: -58.488 flat angles P-C4'-P energy: -37.469 tors. eta vs tors. theta energy: -6.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1507.674235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.674235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.674235 (E_RNA) where: Base-Base interactions energy: -980.742 where: short stacking energy: -472.023 Base-Backbone interact. energy: -1.650 local terms energy: -525.283066 where: bonds (distance) C4'-P energy: -98.336 bonds (distance) P-C4' energy: -108.076 flat angles C4'-P-C4' energy: -115.163 flat angles P-C4'-P energy: -57.660 tors. eta vs tors. theta energy: -146.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -1338.060576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.060576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.060576 (E_RNA) where: Base-Base interactions energy: -898.461 where: short stacking energy: -386.317 Base-Backbone interact. energy: -3.476 local terms energy: -436.123659 where: bonds (distance) C4'-P energy: -84.109 bonds (distance) P-C4' energy: -100.490 flat angles C4'-P-C4' energy: -97.432 flat angles P-C4'-P energy: -50.469 tors. eta vs tors. theta energy: -103.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1292.501864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.501864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.501864 (E_RNA) where: Base-Base interactions energy: -840.031 where: short stacking energy: -373.231 Base-Backbone interact. energy: -0.921 local terms energy: -451.549717 where: bonds (distance) C4'-P energy: -97.367 bonds (distance) P-C4' energy: -97.336 flat angles C4'-P-C4' energy: -100.811 flat angles P-C4'-P energy: -58.490 tors. eta vs tors. theta energy: -97.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1181.974799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.974799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.974799 (E_RNA) where: Base-Base interactions energy: -746.926 where: short stacking energy: -355.484 Base-Backbone interact. energy: -0.796 local terms energy: -434.251936 where: bonds (distance) C4'-P energy: -97.702 bonds (distance) P-C4' energy: -89.049 flat angles C4'-P-C4' energy: -98.538 flat angles P-C4'-P energy: -50.766 tors. eta vs tors. theta energy: -98.196 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: 5, replica: 3 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1102.517952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.517952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.517952 (E_RNA) where: Base-Base interactions energy: -695.719 where: short stacking energy: -323.412 Base-Backbone interact. energy: 0.977 local terms energy: -407.776392 where: bonds (distance) C4'-P energy: -87.205 bonds (distance) P-C4' energy: -92.559 flat angles C4'-P-C4' energy: -90.215 flat angles P-C4'-P energy: -59.132 tors. eta vs tors. theta energy: -78.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1054.066442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.066442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.066442 (E_RNA) where: Base-Base interactions energy: -675.940 where: short stacking energy: -304.601 Base-Backbone interact. energy: 5.431 local terms energy: -383.558370 where: bonds (distance) C4'-P energy: -75.143 bonds (distance) P-C4' energy: -86.125 flat angles C4'-P-C4' energy: -91.261 flat angles P-C4'-P energy: -53.445 tors. eta vs tors. theta energy: -77.585 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: 4 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -852.635719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.635719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.635719 (E_RNA) where: Base-Base interactions energy: -501.263 where: short stacking energy: -247.056 Base-Backbone interact. energy: -3.114 local terms energy: -348.258918 where: bonds (distance) C4'-P energy: -85.650 bonds (distance) P-C4' energy: -75.991 flat angles C4'-P-C4' energy: -91.411 flat angles P-C4'-P energy: -47.635 tors. eta vs tors. theta energy: -47.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -635.986614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.986614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.986614 (E_RNA) where: Base-Base interactions energy: -309.491 where: short stacking energy: -165.070 Base-Backbone interact. energy: -0.636 local terms energy: -325.859061 where: bonds (distance) C4'-P energy: -74.894 bonds (distance) P-C4' energy: -93.068 flat angles C4'-P-C4' energy: -83.650 flat angles P-C4'-P energy: -60.133 tors. eta vs tors. theta energy: -14.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -583.250329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.250329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.250329 (E_RNA) where: Base-Base interactions energy: -313.734 where: short stacking energy: -171.391 Base-Backbone interact. energy: 4.373 local terms energy: -273.888981 where: bonds (distance) C4'-P energy: -80.578 bonds (distance) P-C4' energy: -65.387 flat angles C4'-P-C4' energy: -78.833 flat angles P-C4'-P energy: -34.206 tors. eta vs tors. theta energy: -14.884 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: 8 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -525.299659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.299659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.299659 (E_RNA) where: Base-Base interactions energy: -241.270 where: short stacking energy: -159.179 Base-Backbone interact. energy: 3.040 local terms energy: -287.069685 where: bonds (distance) C4'-P energy: -83.195 bonds (distance) P-C4' energy: -94.062 flat angles C4'-P-C4' energy: -84.406 flat angles P-C4'-P energy: -28.371 tors. eta vs tors. theta energy: 2.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1529.840223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.840223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.840223 (E_RNA) where: Base-Base interactions energy: -1013.168 where: short stacking energy: -498.918 Base-Backbone interact. energy: 2.736 local terms energy: -519.408467 where: bonds (distance) C4'-P energy: -102.954 bonds (distance) P-C4' energy: -96.275 flat angles C4'-P-C4' energy: -98.802 flat angles P-C4'-P energy: -74.794 tors. eta vs tors. theta energy: -146.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1354.192385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.192385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.192385 (E_RNA) where: Base-Base interactions energy: -869.672 where: short stacking energy: -413.033 Base-Backbone interact. energy: -1.307 local terms energy: -483.213740 where: bonds (distance) C4'-P energy: -87.451 bonds (distance) P-C4' energy: -92.580 flat angles C4'-P-C4' energy: -114.185 flat angles P-C4'-P energy: -75.253 tors. eta vs tors. theta energy: -113.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1286.511317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.511317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.511317 (E_RNA) where: Base-Base interactions energy: -848.283 where: short stacking energy: -389.994 Base-Backbone interact. energy: -2.036 local terms energy: -436.192904 where: bonds (distance) C4'-P energy: -89.925 bonds (distance) P-C4' energy: -91.704 flat angles C4'-P-C4' energy: -86.954 flat angles P-C4'-P energy: -63.973 tors. eta vs tors. theta energy: -103.638 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: 4, replica: 2 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1173.737032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.737032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.737032 (E_RNA) where: Base-Base interactions energy: -756.696 where: short stacking energy: -370.301 Base-Backbone interact. energy: -0.423 local terms energy: -416.617518 where: bonds (distance) C4'-P energy: -78.433 bonds (distance) P-C4' energy: -95.214 flat angles C4'-P-C4' energy: -93.655 flat angles P-C4'-P energy: -52.135 tors. eta vs tors. theta energy: -97.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1073.688631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.688631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.688631 (E_RNA) where: Base-Base interactions energy: -701.351 where: short stacking energy: -329.373 Base-Backbone interact. energy: -1.714 local terms energy: -370.623762 where: bonds (distance) C4'-P energy: -88.011 bonds (distance) P-C4' energy: -88.325 flat angles C4'-P-C4' energy: -71.739 flat angles P-C4'-P energy: -60.060 tors. eta vs tors. theta energy: -62.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1062.319170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.319170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.319170 (E_RNA) where: Base-Base interactions energy: -695.664 where: short stacking energy: -323.520 Base-Backbone interact. energy: 0.423 local terms energy: -367.078017 where: bonds (distance) C4'-P energy: -72.481 bonds (distance) P-C4' energy: -85.627 flat angles C4'-P-C4' energy: -75.189 flat angles P-C4'-P energy: -57.725 tors. eta vs tors. theta energy: -76.055 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: 4 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -892.123060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.123060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.123060 (E_RNA) where: Base-Base interactions energy: -536.693 where: short stacking energy: -245.643 Base-Backbone interact. energy: -1.270 local terms energy: -354.159359 where: bonds (distance) C4'-P energy: -81.455 bonds (distance) P-C4' energy: -82.629 flat angles C4'-P-C4' energy: -80.953 flat angles P-C4'-P energy: -52.148 tors. eta vs tors. theta energy: -56.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -650.322218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.322218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.322218 (E_RNA) where: Base-Base interactions energy: -332.217 where: short stacking energy: -162.285 Base-Backbone interact. energy: -1.358 local terms energy: -316.746960 where: bonds (distance) C4'-P energy: -84.182 bonds (distance) P-C4' energy: -94.953 flat angles C4'-P-C4' energy: -75.694 flat angles P-C4'-P energy: -56.177 tors. eta vs tors. theta energy: -5.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -609.825565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.825565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.825565 (E_RNA) where: Base-Base interactions energy: -320.573 where: short stacking energy: -176.818 Base-Backbone interact. energy: -1.743 local terms energy: -287.509165 where: bonds (distance) C4'-P energy: -68.898 bonds (distance) P-C4' energy: -87.737 flat angles C4'-P-C4' energy: -71.445 flat angles P-C4'-P energy: -43.699 tors. eta vs tors. theta energy: -15.731 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: 8 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -545.028919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.028919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.028919 (E_RNA) where: Base-Base interactions energy: -261.392 where: short stacking energy: -137.354 Base-Backbone interact. energy: -0.407 local terms energy: -283.230323 where: bonds (distance) C4'-P energy: -63.264 bonds (distance) P-C4' energy: -75.288 flat angles C4'-P-C4' energy: -70.470 flat angles P-C4'-P energy: -64.562 tors. eta vs tors. theta energy: -9.646 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: 5 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1499.641959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.641959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.641959 (E_RNA) where: Base-Base interactions energy: -995.240 where: short stacking energy: -456.929 Base-Backbone interact. energy: -1.661 local terms energy: -502.741229 where: bonds (distance) C4'-P energy: -96.237 bonds (distance) P-C4' energy: -90.553 flat angles C4'-P-C4' energy: -112.967 flat angles P-C4'-P energy: -73.327 tors. eta vs tors. theta energy: -129.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1324.533263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.533263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.533263 (E_RNA) where: Base-Base interactions energy: -852.854 where: short stacking energy: -375.668 Base-Backbone interact. energy: 0.746 local terms energy: -472.425045 where: bonds (distance) C4'-P energy: -87.408 bonds (distance) P-C4' energy: -106.474 flat angles C4'-P-C4' energy: -99.817 flat angles P-C4'-P energy: -71.936 tors. eta vs tors. theta energy: -106.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1281.141803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.141803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.141803 (E_RNA) where: Base-Base interactions energy: -841.787 where: short stacking energy: -398.770 Base-Backbone interact. energy: 1.707 local terms energy: -441.061167 where: bonds (distance) C4'-P energy: -97.239 bonds (distance) P-C4' energy: -91.555 flat angles C4'-P-C4' energy: -94.787 flat angles P-C4'-P energy: -45.941 tors. eta vs tors. theta energy: -111.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1170.290371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.290371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.290371 (E_RNA) where: Base-Base interactions energy: -728.406 where: short stacking energy: -340.329 Base-Backbone interact. energy: 5.221 local terms energy: -447.105636 where: bonds (distance) C4'-P energy: -89.169 bonds (distance) P-C4' energy: -106.795 flat angles C4'-P-C4' energy: -93.450 flat angles P-C4'-P energy: -56.757 tors. eta vs tors. theta energy: -100.935 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: 3 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1066.147200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.147200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.147200 (E_RNA) where: Base-Base interactions energy: -665.598 where: short stacking energy: -306.702 Base-Backbone interact. energy: 0.436 local terms energy: -400.985486 where: bonds (distance) C4'-P energy: -86.482 bonds (distance) P-C4' energy: -91.315 flat angles C4'-P-C4' energy: -87.671 flat angles P-C4'-P energy: -67.261 tors. eta vs tors. theta energy: -68.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1030.539418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.539418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.539418 (E_RNA) where: Base-Base interactions energy: -666.443 where: short stacking energy: -305.433 Base-Backbone interact. energy: 1.580 local terms energy: -365.676447 where: bonds (distance) C4'-P energy: -70.654 bonds (distance) P-C4' energy: -78.297 flat angles C4'-P-C4' energy: -90.777 flat angles P-C4'-P energy: -49.936 tors. eta vs tors. theta energy: -76.014 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: 4 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -887.930841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.930841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.930841 (E_RNA) where: Base-Base interactions energy: -594.597 where: short stacking energy: -257.164 Base-Backbone interact. energy: 2.510 local terms energy: -295.843836 where: bonds (distance) C4'-P energy: -68.765 bonds (distance) P-C4' energy: -71.011 flat angles C4'-P-C4' energy: -73.774 flat angles P-C4'-P energy: -52.384 tors. eta vs tors. theta energy: -29.910 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: 7 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -640.404002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.404002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.404002 (E_RNA) where: Base-Base interactions energy: -349.256 where: short stacking energy: -215.490 Base-Backbone interact. energy: 3.251 local terms energy: -294.398749 where: bonds (distance) C4'-P energy: -69.934 bonds (distance) P-C4' energy: -87.694 flat angles C4'-P-C4' energy: -72.081 flat angles P-C4'-P energy: -36.885 tors. eta vs tors. theta energy: -27.805 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: 1 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -656.513062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.513062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.513062 (E_RNA) where: Base-Base interactions energy: -364.686 where: short stacking energy: -179.068 Base-Backbone interact. energy: -2.785 local terms energy: -289.042195 where: bonds (distance) C4'-P energy: -62.233 bonds (distance) P-C4' energy: -86.273 flat angles C4'-P-C4' energy: -82.717 flat angles P-C4'-P energy: -48.156 tors. eta vs tors. theta energy: -9.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -527.883462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.883462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.883462 (E_RNA) where: Base-Base interactions energy: -269.266 where: short stacking energy: -156.457 Base-Backbone interact. energy: -0.488 local terms energy: -258.129356 where: bonds (distance) C4'-P energy: -64.689 bonds (distance) P-C4' energy: -77.659 flat angles C4'-P-C4' energy: -74.702 flat angles P-C4'-P energy: -41.020 tors. eta vs tors. theta energy: -0.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1514.395569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.395569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.395569 (E_RNA) where: Base-Base interactions energy: -987.747 where: short stacking energy: -455.086 Base-Backbone interact. energy: -4.561 local terms energy: -522.087460 where: bonds (distance) C4'-P energy: -95.423 bonds (distance) P-C4' energy: -94.894 flat angles C4'-P-C4' energy: -105.987 flat angles P-C4'-P energy: -77.282 tors. eta vs tors. theta energy: -148.502 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: 9 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1378.842557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.842557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.842557 (E_RNA) where: Base-Base interactions energy: -903.011 where: short stacking energy: -415.978 Base-Backbone interact. energy: -2.498 local terms energy: -473.333491 where: bonds (distance) C4'-P energy: -88.612 bonds (distance) P-C4' energy: -89.527 flat angles C4'-P-C4' energy: -112.919 flat angles P-C4'-P energy: -64.931 tors. eta vs tors. theta energy: -117.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1268.388407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.388407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.388407 (E_RNA) where: Base-Base interactions energy: -825.707 where: short stacking energy: -373.575 Base-Backbone interact. energy: -1.109 local terms energy: -441.572588 where: bonds (distance) C4'-P energy: -90.575 bonds (distance) P-C4' energy: -88.587 flat angles C4'-P-C4' energy: -97.846 flat angles P-C4'-P energy: -61.699 tors. eta vs tors. theta energy: -102.866 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: 2 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1175.487129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.487129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.487129 (E_RNA) where: Base-Base interactions energy: -747.829 where: short stacking energy: -375.808 Base-Backbone interact. energy: -0.377 local terms energy: -427.280457 where: bonds (distance) C4'-P energy: -86.331 bonds (distance) P-C4' energy: -89.134 flat angles C4'-P-C4' energy: -84.885 flat angles P-C4'-P energy: -65.033 tors. eta vs tors. theta energy: -101.897 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: 3 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -1090.992789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.992789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.992789 (E_RNA) where: Base-Base interactions energy: -686.821 where: short stacking energy: -315.919 Base-Backbone interact. energy: -3.343 local terms energy: -400.828950 where: bonds (distance) C4'-P energy: -84.209 bonds (distance) P-C4' energy: -88.805 flat angles C4'-P-C4' energy: -86.352 flat angles P-C4'-P energy: -66.555 tors. eta vs tors. theta energy: -74.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -1008.149640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.149640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.149640 (E_RNA) where: Base-Base interactions energy: -625.336 where: short stacking energy: -312.854 Base-Backbone interact. energy: 1.530 local terms energy: -384.343606 where: bonds (distance) C4'-P energy: -82.840 bonds (distance) P-C4' energy: -82.748 flat angles C4'-P-C4' energy: -92.252 flat angles P-C4'-P energy: -51.414 tors. eta vs tors. theta energy: -75.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -917.904877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.904877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.904877 (E_RNA) where: Base-Base interactions energy: -545.411 where: short stacking energy: -240.215 Base-Backbone interact. energy: 0.325 local terms energy: -372.818157 where: bonds (distance) C4'-P energy: -89.707 bonds (distance) P-C4' energy: -86.856 flat angles C4'-P-C4' energy: -99.252 flat angles P-C4'-P energy: -42.436 tors. eta vs tors. theta energy: -54.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -701.810335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.810335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.810335 (E_RNA) where: Base-Base interactions energy: -403.525 where: short stacking energy: -164.799 Base-Backbone interact. energy: -2.306 local terms energy: -295.978890 where: bonds (distance) C4'-P energy: -89.172 bonds (distance) P-C4' energy: -81.924 flat angles C4'-P-C4' energy: -68.359 flat angles P-C4'-P energy: -38.462 tors. eta vs tors. theta energy: -18.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -661.362534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.362534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.362534 (E_RNA) where: Base-Base interactions energy: -345.924 where: short stacking energy: -175.178 Base-Backbone interact. energy: 4.027 local terms energy: -319.465953 where: bonds (distance) C4'-P energy: -93.117 bonds (distance) P-C4' energy: -77.586 flat angles C4'-P-C4' energy: -75.473 flat angles P-C4'-P energy: -42.886 tors. eta vs tors. theta energy: -30.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -523.607406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.607406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.607406 (E_RNA) where: Base-Base interactions energy: -256.964 where: short stacking energy: -141.405 Base-Backbone interact. energy: 2.275 local terms energy: -268.918442 where: bonds (distance) C4'-P energy: -76.931 bonds (distance) P-C4' energy: -84.782 flat angles C4'-P-C4' energy: -65.967 flat angles P-C4'-P energy: -39.681 tors. eta vs tors. theta energy: -1.557 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: 174 Temperature: 0.900000 Total energy: -1540.409067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.409067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.409067 (E_RNA) where: Base-Base interactions energy: -1018.563 where: short stacking energy: -462.149 Base-Backbone interact. energy: -0.854 local terms energy: -520.992722 where: bonds (distance) C4'-P energy: -106.821 bonds (distance) P-C4' energy: -98.270 flat angles C4'-P-C4' energy: -102.561 flat angles P-C4'-P energy: -73.359 tors. eta vs tors. theta energy: -139.982 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: 174 Temperature: 0.950000 Total energy: -1359.691061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.691061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.691061 (E_RNA) where: Base-Base interactions energy: -904.956 where: short stacking energy: -421.961 Base-Backbone interact. energy: -0.445 local terms energy: -454.289748 where: bonds (distance) C4'-P energy: -90.398 bonds (distance) P-C4' energy: -84.867 flat angles C4'-P-C4' energy: -108.122 flat angles P-C4'-P energy: -64.969 tors. eta vs tors. theta energy: -105.933 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: 10 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1266.261670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.261670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.261670 (E_RNA) where: Base-Base interactions energy: -795.988 where: short stacking energy: -348.996 Base-Backbone interact. energy: -1.630 local terms energy: -468.643497 where: bonds (distance) C4'-P energy: -99.720 bonds (distance) P-C4' energy: -96.510 flat angles C4'-P-C4' energy: -100.080 flat angles P-C4'-P energy: -73.583 tors. eta vs tors. theta energy: -98.751 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: 2 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1140.875836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.875836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.875836 (E_RNA) where: Base-Base interactions energy: -713.265 where: short stacking energy: -346.613 Base-Backbone interact. energy: 0.532 local terms energy: -428.142838 where: bonds (distance) C4'-P energy: -83.648 bonds (distance) P-C4' energy: -84.808 flat angles C4'-P-C4' energy: -98.035 flat angles P-C4'-P energy: -63.635 tors. eta vs tors. theta energy: -98.017 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: 3 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1103.054945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.054945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.054945 (E_RNA) where: Base-Base interactions energy: -696.964 where: short stacking energy: -328.069 Base-Backbone interact. energy: -1.517 local terms energy: -404.573548 where: bonds (distance) C4'-P energy: -74.836 bonds (distance) P-C4' energy: -94.042 flat angles C4'-P-C4' energy: -94.822 flat angles P-C4'-P energy: -67.780 tors. eta vs tors. theta energy: -73.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -995.701612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.701612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.701612 (E_RNA) where: Base-Base interactions energy: -615.409 where: short stacking energy: -273.397 Base-Backbone interact. energy: 2.225 local terms energy: -382.517850 where: bonds (distance) C4'-P energy: -87.864 bonds (distance) P-C4' energy: -92.995 flat angles C4'-P-C4' energy: -81.353 flat angles P-C4'-P energy: -55.918 tors. eta vs tors. theta energy: -64.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -898.455056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.455056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.455056 (E_RNA) where: Base-Base interactions energy: -556.235 where: short stacking energy: -256.441 Base-Backbone interact. energy: -2.096 local terms energy: -340.123901 where: bonds (distance) C4'-P energy: -75.380 bonds (distance) P-C4' energy: -76.862 flat angles C4'-P-C4' energy: -84.960 flat angles P-C4'-P energy: -52.819 tors. eta vs tors. theta energy: -50.102 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: 7 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -688.390178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.390178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.390178 (E_RNA) where: Base-Base interactions energy: -383.146 where: short stacking energy: -195.305 Base-Backbone interact. energy: 0.923 local terms energy: -306.167800 where: bonds (distance) C4'-P energy: -83.380 bonds (distance) P-C4' energy: -81.058 flat angles C4'-P-C4' energy: -73.641 flat angles P-C4'-P energy: -43.146 tors. eta vs tors. theta energy: -24.942 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: 1 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -661.154981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.154981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.154981 (E_RNA) where: Base-Base interactions energy: -371.030 where: short stacking energy: -188.672 Base-Backbone interact. energy: -0.187 local terms energy: -289.938116 where: bonds (distance) C4'-P energy: -69.117 bonds (distance) P-C4' energy: -81.136 flat angles C4'-P-C4' energy: -70.712 flat angles P-C4'-P energy: -48.502 tors. eta vs tors. theta energy: -20.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -490.473255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.473255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.473255 (E_RNA) where: Base-Base interactions energy: -207.220 where: short stacking energy: -121.414 Base-Backbone interact. energy: -1.674 local terms energy: -281.578635 where: bonds (distance) C4'-P energy: -93.738 bonds (distance) P-C4' energy: -62.669 flat angles C4'-P-C4' energy: -64.683 flat angles P-C4'-P energy: -57.841 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: 175 Temperature: 0.900000 Total energy: -1532.928177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.928177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.928177 (E_RNA) where: Base-Base interactions energy: -1011.340 where: short stacking energy: -478.800 Base-Backbone interact. energy: -2.278 local terms energy: -519.310870 where: bonds (distance) C4'-P energy: -104.569 bonds (distance) P-C4' energy: -100.843 flat angles C4'-P-C4' energy: -110.199 flat angles P-C4'-P energy: -65.457 tors. eta vs tors. theta energy: -138.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1390.142608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.142608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.142608 (E_RNA) where: Base-Base interactions energy: -920.158 where: short stacking energy: -426.559 Base-Backbone interact. energy: -2.476 local terms energy: -467.508773 where: bonds (distance) C4'-P energy: -86.629 bonds (distance) P-C4' energy: -83.368 flat angles C4'-P-C4' energy: -109.585 flat angles P-C4'-P energy: -69.829 tors. eta vs tors. theta energy: -118.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1264.141703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.141703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.141703 (E_RNA) where: Base-Base interactions energy: -809.750 where: short stacking energy: -377.641 Base-Backbone interact. energy: -3.887 local terms energy: -450.505124 where: bonds (distance) C4'-P energy: -85.221 bonds (distance) P-C4' energy: -81.766 flat angles C4'-P-C4' energy: -104.825 flat angles P-C4'-P energy: -75.545 tors. eta vs tors. theta energy: -103.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1148.923768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.923768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.923768 (E_RNA) where: Base-Base interactions energy: -721.458 where: short stacking energy: -351.497 Base-Backbone interact. energy: -1.651 local terms energy: -425.814425 where: bonds (distance) C4'-P energy: -80.303 bonds (distance) P-C4' energy: -85.998 flat angles C4'-P-C4' energy: -101.036 flat angles P-C4'-P energy: -62.246 tors. eta vs tors. theta energy: -96.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -1049.074823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.074823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.074823 (E_RNA) where: Base-Base interactions energy: -679.610 where: short stacking energy: -317.739 Base-Backbone interact. energy: 10.177 local terms energy: -379.641664 where: bonds (distance) C4'-P energy: -78.260 bonds (distance) P-C4' energy: -88.255 flat angles C4'-P-C4' energy: -83.395 flat angles P-C4'-P energy: -48.392 tors. eta vs tors. theta energy: -81.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -995.621228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.621228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.621228 (E_RNA) where: Base-Base interactions energy: -653.628 where: short stacking energy: -292.960 Base-Backbone interact. energy: 0.287 local terms energy: -342.280966 where: bonds (distance) C4'-P energy: -79.741 bonds (distance) P-C4' energy: -74.465 flat angles C4'-P-C4' energy: -89.300 flat angles P-C4'-P energy: -48.569 tors. eta vs tors. theta energy: -50.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -853.867914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.867914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.867914 (E_RNA) where: Base-Base interactions energy: -518.915 where: short stacking energy: -261.777 Base-Backbone interact. energy: -1.488 local terms energy: -333.464782 where: bonds (distance) C4'-P energy: -78.491 bonds (distance) P-C4' energy: -82.934 flat angles C4'-P-C4' energy: -80.576 flat angles P-C4'-P energy: -44.479 tors. eta vs tors. theta energy: -46.986 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: 175 Temperature: 1.250000 Total energy: -673.854985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.854985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.854985 (E_RNA) where: Base-Base interactions energy: -396.197 where: short stacking energy: -189.058 Base-Backbone interact. energy: 1.664 local terms energy: -279.322076 where: bonds (distance) C4'-P energy: -79.032 bonds (distance) P-C4' energy: -85.959 flat angles C4'-P-C4' energy: -63.133 flat angles P-C4'-P energy: -36.904 tors. eta vs tors. theta energy: -14.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -661.495080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.495080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.495080 (E_RNA) where: Base-Base interactions energy: -398.919 where: short stacking energy: -193.222 Base-Backbone interact. energy: -0.506 local terms energy: -262.070345 where: bonds (distance) C4'-P energy: -65.383 bonds (distance) P-C4' energy: -74.500 flat angles C4'-P-C4' energy: -76.811 flat angles P-C4'-P energy: -35.976 tors. eta vs tors. theta energy: -9.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -491.032538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.032538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.032538 (E_RNA) where: Base-Base interactions energy: -231.748 where: short stacking energy: -115.983 Base-Backbone interact. energy: -0.222 local terms energy: -259.062619 where: bonds (distance) C4'-P energy: -77.183 bonds (distance) P-C4' energy: -72.145 flat angles C4'-P-C4' energy: -85.983 flat angles P-C4'-P energy: -32.904 tors. eta vs tors. theta energy: 9.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1521.094894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.094894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.094894 (E_RNA) where: Base-Base interactions energy: -998.944 where: short stacking energy: -484.206 Base-Backbone interact. energy: -0.017 local terms energy: -522.133804 where: bonds (distance) C4'-P energy: -93.426 bonds (distance) P-C4' energy: -109.395 flat angles C4'-P-C4' energy: -113.495 flat angles P-C4'-P energy: -57.350 tors. eta vs tors. theta energy: -148.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1379.583415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.583415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.583415 (E_RNA) where: Base-Base interactions energy: -902.456 where: short stacking energy: -435.337 Base-Backbone interact. energy: 0.168 local terms energy: -477.294869 where: bonds (distance) C4'-P energy: -105.465 bonds (distance) P-C4' energy: -99.247 flat angles C4'-P-C4' energy: -101.329 flat angles P-C4'-P energy: -56.099 tors. eta vs tors. theta energy: -115.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1250.368923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.368923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.368923 (E_RNA) where: Base-Base interactions energy: -816.646 where: short stacking energy: -366.749 Base-Backbone interact. energy: -2.522 local terms energy: -431.200722 where: bonds (distance) C4'-P energy: -87.170 bonds (distance) P-C4' energy: -95.343 flat angles C4'-P-C4' energy: -97.854 flat angles P-C4'-P energy: -57.648 tors. eta vs tors. theta energy: -93.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -1190.480857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.480857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.480857 (E_RNA) where: Base-Base interactions energy: -745.257 where: short stacking energy: -352.075 Base-Backbone interact. energy: -2.445 local terms energy: -442.778807 where: bonds (distance) C4'-P energy: -85.811 bonds (distance) P-C4' energy: -99.918 flat angles C4'-P-C4' energy: -97.210 flat angles P-C4'-P energy: -55.385 tors. eta vs tors. theta energy: -104.455 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: 5, replica: 3 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -1058.099109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.099109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.099109 (E_RNA) where: Base-Base interactions energy: -658.411 where: short stacking energy: -327.677 Base-Backbone interact. energy: -0.899 local terms energy: -398.789103 where: bonds (distance) C4'-P energy: -74.876 bonds (distance) P-C4' energy: -90.639 flat angles C4'-P-C4' energy: -86.048 flat angles P-C4'-P energy: -66.522 tors. eta vs tors. theta energy: -80.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -994.637258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.637258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.637258 (E_RNA) where: Base-Base interactions energy: -621.657 where: short stacking energy: -274.676 Base-Backbone interact. energy: -0.951 local terms energy: -372.029190 where: bonds (distance) C4'-P energy: -85.376 bonds (distance) P-C4' energy: -77.395 flat angles C4'-P-C4' energy: -88.476 flat angles P-C4'-P energy: -67.827 tors. eta vs tors. theta energy: -52.955 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: 7, replica: 4 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -887.914380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.914380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.914380 (E_RNA) where: Base-Base interactions energy: -525.392 where: short stacking energy: -270.104 Base-Backbone interact. energy: -0.478 local terms energy: -362.044739 where: bonds (distance) C4'-P energy: -75.524 bonds (distance) P-C4' energy: -84.413 flat angles C4'-P-C4' energy: -91.609 flat angles P-C4'-P energy: -51.329 tors. eta vs tors. theta energy: -59.170 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: 7 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -669.418154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.418154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.418154 (E_RNA) where: Base-Base interactions energy: -367.001 where: short stacking energy: -194.685 Base-Backbone interact. energy: 0.760 local terms energy: -303.177508 where: bonds (distance) C4'-P energy: -74.300 bonds (distance) P-C4' energy: -76.590 flat angles C4'-P-C4' energy: -79.687 flat angles P-C4'-P energy: -50.279 tors. eta vs tors. theta energy: -22.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -616.615167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.615167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.615167 (E_RNA) where: Base-Base interactions energy: -343.256 where: short stacking energy: -154.944 Base-Backbone interact. energy: 0.971 local terms energy: -274.330038 where: bonds (distance) C4'-P energy: -67.994 bonds (distance) P-C4' energy: -82.699 flat angles C4'-P-C4' energy: -82.629 flat angles P-C4'-P energy: -41.756 tors. eta vs tors. theta energy: 0.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -541.004572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.004572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.004572 (E_RNA) where: Base-Base interactions energy: -281.749 where: short stacking energy: -149.808 Base-Backbone interact. energy: -2.769 local terms energy: -256.486870 where: bonds (distance) C4'-P energy: -83.345 bonds (distance) P-C4' energy: -66.077 flat angles C4'-P-C4' energy: -69.843 flat angles P-C4'-P energy: -49.929 tors. eta vs tors. theta energy: 12.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1523.431332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.431332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.431332 (E_RNA) where: Base-Base interactions energy: -1020.663 where: short stacking energy: -479.778 Base-Backbone interact. energy: -2.953 local terms energy: -499.815575 where: bonds (distance) C4'-P energy: -84.827 bonds (distance) P-C4' energy: -95.236 flat angles C4'-P-C4' energy: -106.644 flat angles P-C4'-P energy: -68.412 tors. eta vs tors. theta energy: -144.697 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: 9 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1409.843792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.843792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.843792 (E_RNA) where: Base-Base interactions energy: -929.405 where: short stacking energy: -447.818 Base-Backbone interact. energy: -1.830 local terms energy: -478.609327 where: bonds (distance) C4'-P energy: -86.026 bonds (distance) P-C4' energy: -98.949 flat angles C4'-P-C4' energy: -106.581 flat angles P-C4'-P energy: -62.519 tors. eta vs tors. theta energy: -124.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1287.429631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.429631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.429631 (E_RNA) where: Base-Base interactions energy: -830.679 where: short stacking energy: -388.118 Base-Backbone interact. energy: -1.515 local terms energy: -455.235747 where: bonds (distance) C4'-P energy: -96.889 bonds (distance) P-C4' energy: -91.839 flat angles C4'-P-C4' energy: -103.322 flat angles P-C4'-P energy: -61.293 tors. eta vs tors. theta energy: -101.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1210.818577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.818577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.818577 (E_RNA) where: Base-Base interactions energy: -777.164 where: short stacking energy: -375.916 Base-Backbone interact. energy: 4.022 local terms energy: -437.676008 where: bonds (distance) C4'-P energy: -89.863 bonds (distance) P-C4' energy: -99.449 flat angles C4'-P-C4' energy: -85.854 flat angles P-C4'-P energy: -59.286 tors. eta vs tors. theta energy: -103.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1093.436256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.436256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.436256 (E_RNA) where: Base-Base interactions energy: -685.401 where: short stacking energy: -326.955 Base-Backbone interact. energy: 2.726 local terms energy: -410.761430 where: bonds (distance) C4'-P energy: -86.144 bonds (distance) P-C4' energy: -91.367 flat angles C4'-P-C4' energy: -88.069 flat angles P-C4'-P energy: -65.555 tors. eta vs tors. theta energy: -79.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1035.519782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.519782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.519782 (E_RNA) where: Base-Base interactions energy: -643.564 where: short stacking energy: -307.931 Base-Backbone interact. energy: -0.274 local terms energy: -391.681166 where: bonds (distance) C4'-P energy: -96.813 bonds (distance) P-C4' energy: -80.582 flat angles C4'-P-C4' energy: -95.819 flat angles P-C4'-P energy: -56.113 tors. eta vs tors. theta energy: -62.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -889.171346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.171346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.171346 (E_RNA) where: Base-Base interactions energy: -552.546 where: short stacking energy: -266.576 Base-Backbone interact. energy: -0.874 local terms energy: -335.751184 where: bonds (distance) C4'-P energy: -69.906 bonds (distance) P-C4' energy: -79.768 flat angles C4'-P-C4' energy: -94.183 flat angles P-C4'-P energy: -49.653 tors. eta vs tors. theta energy: -42.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -686.034340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.034340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.034340 (E_RNA) where: Base-Base interactions energy: -367.743 where: short stacking energy: -192.668 Base-Backbone interact. energy: 2.634 local terms energy: -320.925026 where: bonds (distance) C4'-P energy: -90.212 bonds (distance) P-C4' energy: -82.021 flat angles C4'-P-C4' energy: -82.383 flat angles P-C4'-P energy: -51.592 tors. eta vs tors. theta energy: -14.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -560.509680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.509680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.509680 (E_RNA) where: Base-Base interactions energy: -261.763 where: short stacking energy: -159.910 Base-Backbone interact. energy: 0.459 local terms energy: -299.205353 where: bonds (distance) C4'-P energy: -79.695 bonds (distance) P-C4' energy: -83.767 flat angles C4'-P-C4' energy: -81.211 flat angles P-C4'-P energy: -49.762 tors. eta vs tors. theta energy: -4.771 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: 8 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -536.814189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.814189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.814189 (E_RNA) where: Base-Base interactions energy: -276.158 where: short stacking energy: -136.314 Base-Backbone interact. energy: -0.697 local terms energy: -259.959668 where: bonds (distance) C4'-P energy: -68.362 bonds (distance) P-C4' energy: -101.218 flat angles C4'-P-C4' energy: -58.154 flat angles P-C4'-P energy: -40.266 tors. eta vs tors. theta energy: 8.040 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: 1, replica: 5 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1516.737623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.737623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.737623 (E_RNA) where: Base-Base interactions energy: -1011.103 where: short stacking energy: -480.252 Base-Backbone interact. energy: -0.431 local terms energy: -505.203775 where: bonds (distance) C4'-P energy: -94.977 bonds (distance) P-C4' energy: -95.109 flat angles C4'-P-C4' energy: -105.336 flat angles P-C4'-P energy: -64.834 tors. eta vs tors. theta energy: -144.947 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: 2, replica: 9 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1387.746102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.746102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.746102 (E_RNA) where: Base-Base interactions energy: -928.669 where: short stacking energy: -423.677 Base-Backbone interact. energy: -0.870 local terms energy: -458.207235 where: bonds (distance) C4'-P energy: -90.840 bonds (distance) P-C4' energy: -98.242 flat angles C4'-P-C4' energy: -98.101 flat angles P-C4'-P energy: -56.828 tors. eta vs tors. theta energy: -114.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1266.704010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.704010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.704010 (E_RNA) where: Base-Base interactions energy: -804.651 where: short stacking energy: -382.868 Base-Backbone interact. energy: -1.687 local terms energy: -460.365443 where: bonds (distance) C4'-P energy: -95.760 bonds (distance) P-C4' energy: -100.840 flat angles C4'-P-C4' energy: -106.261 flat angles P-C4'-P energy: -52.564 tors. eta vs tors. theta energy: -104.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1213.939869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.939869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.939869 (E_RNA) where: Base-Base interactions energy: -762.290 where: short stacking energy: -364.190 Base-Backbone interact. energy: -1.139 local terms energy: -450.511413 where: bonds (distance) C4'-P energy: -94.077 bonds (distance) P-C4' energy: -78.847 flat angles C4'-P-C4' energy: -101.906 flat angles P-C4'-P energy: -64.499 tors. eta vs tors. theta energy: -111.182 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: 3 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1096.094034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.094034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.094034 (E_RNA) where: Base-Base interactions energy: -724.600 where: short stacking energy: -339.586 Base-Backbone interact. energy: 1.180 local terms energy: -372.673982 where: bonds (distance) C4'-P energy: -79.642 bonds (distance) P-C4' energy: -84.812 flat angles C4'-P-C4' energy: -86.336 flat angles P-C4'-P energy: -45.344 tors. eta vs tors. theta energy: -76.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1008.193426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.193426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.193426 (E_RNA) where: Base-Base interactions energy: -642.738 where: short stacking energy: -280.907 Base-Backbone interact. energy: -1.427 local terms energy: -364.028364 where: bonds (distance) C4'-P energy: -94.757 bonds (distance) P-C4' energy: -79.373 flat angles C4'-P-C4' energy: -86.005 flat angles P-C4'-P energy: -51.613 tors. eta vs tors. theta energy: -52.280 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: 178 Temperature: 1.200000 Total energy: -866.327326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.327326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.327326 (E_RNA) where: Base-Base interactions energy: -540.546 where: short stacking energy: -259.412 Base-Backbone interact. energy: -3.215 local terms energy: -322.566876 where: bonds (distance) C4'-P energy: -77.119 bonds (distance) P-C4' energy: -76.105 flat angles C4'-P-C4' energy: -68.225 flat angles P-C4'-P energy: -48.901 tors. eta vs tors. theta energy: -52.216 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: 7 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -679.347775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.347775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.347775 (E_RNA) where: Base-Base interactions energy: -386.717 where: short stacking energy: -215.099 Base-Backbone interact. energy: 0.218 local terms energy: -292.849234 where: bonds (distance) C4'-P energy: -72.683 bonds (distance) P-C4' energy: -76.123 flat angles C4'-P-C4' energy: -85.114 flat angles P-C4'-P energy: -39.510 tors. eta vs tors. theta energy: -19.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -511.322208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.322208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.322208 (E_RNA) where: Base-Base interactions energy: -247.188 where: short stacking energy: -122.597 Base-Backbone interact. energy: 3.497 local terms energy: -267.630424 where: bonds (distance) C4'-P energy: -77.236 bonds (distance) P-C4' energy: -85.963 flat angles C4'-P-C4' energy: -89.127 flat angles P-C4'-P energy: -38.466 tors. eta vs tors. theta energy: 23.162 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: 1 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -514.257541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.257541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.257541 (E_RNA) where: Base-Base interactions energy: -258.970 where: short stacking energy: -139.940 Base-Backbone interact. energy: 3.630 local terms energy: -258.917308 where: bonds (distance) C4'-P energy: -64.502 bonds (distance) P-C4' energy: -87.134 flat angles C4'-P-C4' energy: -61.698 flat angles P-C4'-P energy: -41.388 tors. eta vs tors. theta energy: -4.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1511.998828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.998828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.998828 (E_RNA) where: Base-Base interactions energy: -1003.288 where: short stacking energy: -481.067 Base-Backbone interact. energy: -0.591 local terms energy: -508.119951 where: bonds (distance) C4'-P energy: -93.340 bonds (distance) P-C4' energy: -96.243 flat angles C4'-P-C4' energy: -104.950 flat angles P-C4'-P energy: -67.301 tors. eta vs tors. theta energy: -146.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1380.849304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.849304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.849304 (E_RNA) where: Base-Base interactions energy: -912.114 where: short stacking energy: -439.831 Base-Backbone interact. energy: -3.619 local terms energy: -465.116518 where: bonds (distance) C4'-P energy: -82.878 bonds (distance) P-C4' energy: -89.696 flat angles C4'-P-C4' energy: -105.808 flat angles P-C4'-P energy: -71.306 tors. eta vs tors. theta energy: -115.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1269.448790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.448790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.448790 (E_RNA) where: Base-Base interactions energy: -850.696 where: short stacking energy: -379.253 Base-Backbone interact. energy: -1.291 local terms energy: -417.462017 where: bonds (distance) C4'-P energy: -83.744 bonds (distance) P-C4' energy: -90.485 flat angles C4'-P-C4' energy: -92.388 flat angles P-C4'-P energy: -56.608 tors. eta vs tors. theta energy: -94.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1142.286888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.286888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.286888 (E_RNA) where: Base-Base interactions energy: -695.095 where: short stacking energy: -350.522 Base-Backbone interact. energy: 0.178 local terms energy: -447.370431 where: bonds (distance) C4'-P energy: -95.972 bonds (distance) P-C4' energy: -99.382 flat angles C4'-P-C4' energy: -92.677 flat angles P-C4'-P energy: -68.087 tors. eta vs tors. theta energy: -91.252 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: 3 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1067.149298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.149298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.149298 (E_RNA) where: Base-Base interactions energy: -675.329 where: short stacking energy: -304.370 Base-Backbone interact. energy: -2.208 local terms energy: -389.612047 where: bonds (distance) C4'-P energy: -90.384 bonds (distance) P-C4' energy: -81.846 flat angles C4'-P-C4' energy: -91.434 flat angles P-C4'-P energy: -55.969 tors. eta vs tors. theta energy: -69.979 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: 6 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1043.242275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.242275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.242275 (E_RNA) where: Base-Base interactions energy: -632.042 where: short stacking energy: -297.539 Base-Backbone interact. energy: 3.056 local terms energy: -414.256076 where: bonds (distance) C4'-P energy: -89.995 bonds (distance) P-C4' energy: -97.070 flat angles C4'-P-C4' energy: -91.159 flat angles P-C4'-P energy: -59.803 tors. eta vs tors. theta energy: -76.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -862.698075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.698075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.698075 (E_RNA) where: Base-Base interactions energy: -516.138 where: short stacking energy: -240.353 Base-Backbone interact. energy: -0.340 local terms energy: -346.219563 where: bonds (distance) C4'-P energy: -83.233 bonds (distance) P-C4' energy: -78.388 flat angles C4'-P-C4' energy: -89.374 flat angles P-C4'-P energy: -45.036 tors. eta vs tors. theta energy: -50.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -677.463951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.463951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.463951 (E_RNA) where: Base-Base interactions energy: -364.724 where: short stacking energy: -196.822 Base-Backbone interact. energy: 0.716 local terms energy: -313.456028 where: bonds (distance) C4'-P energy: -83.690 bonds (distance) P-C4' energy: -68.680 flat angles C4'-P-C4' energy: -80.489 flat angles P-C4'-P energy: -55.047 tors. eta vs tors. theta energy: -25.550 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: 8 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -492.068080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.068080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.068080 (E_RNA) where: Base-Base interactions energy: -245.732 where: short stacking energy: -167.093 Base-Backbone interact. energy: 2.854 local terms energy: -249.190367 where: bonds (distance) C4'-P energy: -57.389 bonds (distance) P-C4' energy: -62.939 flat angles C4'-P-C4' energy: -80.606 flat angles P-C4'-P energy: -41.761 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: 1 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -604.884276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.884276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.884276 (E_RNA) where: Base-Base interactions energy: -352.014 where: short stacking energy: -193.815 Base-Backbone interact. energy: -0.593 local terms energy: -252.277806 where: bonds (distance) C4'-P energy: -57.406 bonds (distance) P-C4' energy: -88.396 flat angles C4'-P-C4' energy: -71.447 flat angles P-C4'-P energy: -26.948 tors. eta vs tors. theta energy: -8.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1571.244927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.244927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.244927 (E_RNA) where: Base-Base interactions energy: -1047.754 where: short stacking energy: -491.329 Base-Backbone interact. energy: -1.899 local terms energy: -521.592511 where: bonds (distance) C4'-P energy: -93.080 bonds (distance) P-C4' energy: -103.148 flat angles C4'-P-C4' energy: -110.717 flat angles P-C4'-P energy: -68.551 tors. eta vs tors. theta energy: -146.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1381.919331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.919331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.919331 (E_RNA) where: Base-Base interactions energy: -898.177 where: short stacking energy: -421.538 Base-Backbone interact. energy: -1.560 local terms energy: -482.182432 where: bonds (distance) C4'-P energy: -94.857 bonds (distance) P-C4' energy: -99.140 flat angles C4'-P-C4' energy: -101.489 flat angles P-C4'-P energy: -67.192 tors. eta vs tors. theta energy: -119.504 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: 10 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1270.187169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.187169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.187169 (E_RNA) where: Base-Base interactions energy: -840.362 where: short stacking energy: -375.902 Base-Backbone interact. energy: -3.321 local terms energy: -426.504581 where: bonds (distance) C4'-P energy: -86.796 bonds (distance) P-C4' energy: -97.142 flat angles C4'-P-C4' energy: -89.822 flat angles P-C4'-P energy: -46.277 tors. eta vs tors. theta energy: -106.468 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: 2 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1147.364699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.364699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.364699 (E_RNA) where: Base-Base interactions energy: -715.623 where: short stacking energy: -345.519 Base-Backbone interact. energy: 1.766 local terms energy: -433.508622 where: bonds (distance) C4'-P energy: -97.486 bonds (distance) P-C4' energy: -84.491 flat angles C4'-P-C4' energy: -99.714 flat angles P-C4'-P energy: -65.909 tors. eta vs tors. theta energy: -85.908 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: 180 Temperature: 1.100000 Total energy: -1144.485498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.485498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.485498 (E_RNA) where: Base-Base interactions energy: -724.734 where: short stacking energy: -333.271 Base-Backbone interact. energy: -1.023 local terms energy: -418.728973 where: bonds (distance) C4'-P energy: -85.136 bonds (distance) P-C4' energy: -99.988 flat angles C4'-P-C4' energy: -95.733 flat angles P-C4'-P energy: -56.186 tors. eta vs tors. theta energy: -81.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1005.980106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.980106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.980106 (E_RNA) where: Base-Base interactions energy: -613.860 where: short stacking energy: -291.076 Base-Backbone interact. energy: -1.578 local terms energy: -390.542569 where: bonds (distance) C4'-P energy: -88.080 bonds (distance) P-C4' energy: -96.905 flat angles C4'-P-C4' energy: -84.730 flat angles P-C4'-P energy: -43.497 tors. eta vs tors. theta energy: -77.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -853.552179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.552179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.552179 (E_RNA) where: Base-Base interactions energy: -520.202 where: short stacking energy: -227.971 Base-Backbone interact. energy: -1.782 local terms energy: -331.567677 where: bonds (distance) C4'-P energy: -84.672 bonds (distance) P-C4' energy: -84.892 flat angles C4'-P-C4' energy: -86.137 flat angles P-C4'-P energy: -37.805 tors. eta vs tors. theta energy: -38.061 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: 180 Temperature: 1.250000 Total energy: -739.979173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.979173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.979173 (E_RNA) where: Base-Base interactions energy: -398.637 where: short stacking energy: -228.299 Base-Backbone interact. energy: -2.349 local terms energy: -338.993334 where: bonds (distance) C4'-P energy: -82.149 bonds (distance) P-C4' energy: -80.327 flat angles C4'-P-C4' energy: -96.385 flat angles P-C4'-P energy: -41.279 tors. eta vs tors. theta energy: -38.853 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: 1 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -616.765517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.765517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.765517 (E_RNA) where: Base-Base interactions energy: -337.605 where: short stacking energy: -161.915 Base-Backbone interact. energy: -1.464 local terms energy: -277.696450 where: bonds (distance) C4'-P energy: -77.462 bonds (distance) P-C4' energy: -77.465 flat angles C4'-P-C4' energy: -78.505 flat angles P-C4'-P energy: -36.166 tors. eta vs tors. theta energy: -8.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -463.387311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.387311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.387311 (E_RNA) where: Base-Base interactions energy: -215.577 where: short stacking energy: -115.289 Base-Backbone interact. energy: -3.028 local terms energy: -244.782875 where: bonds (distance) C4'-P energy: -72.642 bonds (distance) P-C4' energy: -78.537 flat angles C4'-P-C4' energy: -81.856 flat angles P-C4'-P energy: -35.385 tors. eta vs tors. theta energy: 23.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1488.915881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.915881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.915881 (E_RNA) where: Base-Base interactions energy: -985.999 where: short stacking energy: -463.164 Base-Backbone interact. energy: -0.382 local terms energy: -502.534224 where: bonds (distance) C4'-P energy: -83.278 bonds (distance) P-C4' energy: -104.355 flat angles C4'-P-C4' energy: -107.526 flat angles P-C4'-P energy: -58.824 tors. eta vs tors. theta energy: -148.552 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: 9 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1383.327119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.327119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.327119 (E_RNA) where: Base-Base interactions energy: -923.894 where: short stacking energy: -415.467 Base-Backbone interact. energy: -0.652 local terms energy: -458.780793 where: bonds (distance) C4'-P energy: -83.766 bonds (distance) P-C4' energy: -99.180 flat angles C4'-P-C4' energy: -113.768 flat angles P-C4'-P energy: -61.510 tors. eta vs tors. theta energy: -100.557 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: 10 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1283.858645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.858645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.858645 (E_RNA) where: Base-Base interactions energy: -844.117 where: short stacking energy: -368.857 Base-Backbone interact. energy: -4.046 local terms energy: -435.695626 where: bonds (distance) C4'-P energy: -91.949 bonds (distance) P-C4' energy: -87.170 flat angles C4'-P-C4' energy: -89.251 flat angles P-C4'-P energy: -63.525 tors. eta vs tors. theta energy: -103.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1182.668873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.668873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.668873 (E_RNA) where: Base-Base interactions energy: -760.969 where: short stacking energy: -352.745 Base-Backbone interact. energy: -2.027 local terms energy: -419.672649 where: bonds (distance) C4'-P energy: -85.807 bonds (distance) P-C4' energy: -92.116 flat angles C4'-P-C4' energy: -94.252 flat angles P-C4'-P energy: -65.277 tors. eta vs tors. theta energy: -82.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -1096.053492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.053492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.053492 (E_RNA) where: Base-Base interactions energy: -688.949 where: short stacking energy: -322.403 Base-Backbone interact. energy: -2.304 local terms energy: -404.801360 where: bonds (distance) C4'-P energy: -96.155 bonds (distance) P-C4' energy: -68.556 flat angles C4'-P-C4' energy: -91.645 flat angles P-C4'-P energy: -56.033 tors. eta vs tors. theta energy: -92.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1021.947189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.947189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.947189 (E_RNA) where: Base-Base interactions energy: -648.189 where: short stacking energy: -305.344 Base-Backbone interact. energy: -1.575 local terms energy: -372.182897 where: bonds (distance) C4'-P energy: -81.685 bonds (distance) P-C4' energy: -73.201 flat angles C4'-P-C4' energy: -81.771 flat angles P-C4'-P energy: -59.786 tors. eta vs tors. theta energy: -75.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -874.145866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.145866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.145866 (E_RNA) where: Base-Base interactions energy: -562.404 where: short stacking energy: -261.013 Base-Backbone interact. energy: 4.844 local terms energy: -316.585516 where: bonds (distance) C4'-P energy: -77.026 bonds (distance) P-C4' energy: -78.275 flat angles C4'-P-C4' energy: -70.581 flat angles P-C4'-P energy: -44.665 tors. eta vs tors. theta energy: -46.038 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: 8, replica: 7 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -699.530417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.530417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.530417 (E_RNA) where: Base-Base interactions energy: -372.688 where: short stacking energy: -196.953 Base-Backbone interact. energy: -2.357 local terms energy: -324.485082 where: bonds (distance) C4'-P energy: -89.826 bonds (distance) P-C4' energy: -76.402 flat angles C4'-P-C4' energy: -70.315 flat angles P-C4'-P energy: -56.379 tors. eta vs tors. theta energy: -31.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -660.870866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.870866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.870866 (E_RNA) where: Base-Base interactions energy: -362.642 where: short stacking energy: -178.536 Base-Backbone interact. energy: -0.475 local terms energy: -297.754215 where: bonds (distance) C4'-P energy: -80.731 bonds (distance) P-C4' energy: -79.739 flat angles C4'-P-C4' energy: -68.252 flat angles P-C4'-P energy: -49.837 tors. eta vs tors. theta energy: -19.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -485.311649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.311649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.311649 (E_RNA) where: Base-Base interactions energy: -223.383 where: short stacking energy: -137.560 Base-Backbone interact. energy: 0.583 local terms energy: -262.511736 where: bonds (distance) C4'-P energy: -81.628 bonds (distance) P-C4' energy: -70.924 flat angles C4'-P-C4' energy: -72.053 flat angles P-C4'-P energy: -47.998 tors. eta vs tors. theta energy: 10.092 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: 5 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1524.561692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.561692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.561692 (E_RNA) where: Base-Base interactions energy: -1011.421 where: short stacking energy: -484.743 Base-Backbone interact. energy: -1.757 local terms energy: -511.383383 where: bonds (distance) C4'-P energy: -93.500 bonds (distance) P-C4' energy: -96.631 flat angles C4'-P-C4' energy: -105.645 flat angles P-C4'-P energy: -70.931 tors. eta vs tors. theta energy: -144.676 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: 9 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1414.991260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.991260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.991260 (E_RNA) where: Base-Base interactions energy: -932.356 where: short stacking energy: -412.863 Base-Backbone interact. energy: 5.931 local terms energy: -488.566715 where: bonds (distance) C4'-P energy: -99.369 bonds (distance) P-C4' energy: -98.326 flat angles C4'-P-C4' energy: -101.571 flat angles P-C4'-P energy: -69.527 tors. eta vs tors. theta energy: -119.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1243.135963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.135963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.135963 (E_RNA) where: Base-Base interactions energy: -787.019 where: short stacking energy: -382.365 Base-Backbone interact. energy: -0.365 local terms energy: -455.752651 where: bonds (distance) C4'-P energy: -101.847 bonds (distance) P-C4' energy: -88.375 flat angles C4'-P-C4' energy: -104.464 flat angles P-C4'-P energy: -58.970 tors. eta vs tors. theta energy: -102.097 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: 4, replica: 10 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1218.623419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.623419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.623419 (E_RNA) where: Base-Base interactions energy: -791.198 where: short stacking energy: -383.617 Base-Backbone interact. energy: -1.480 local terms energy: -425.945752 where: bonds (distance) C4'-P energy: -78.569 bonds (distance) P-C4' energy: -84.272 flat angles C4'-P-C4' energy: -105.635 flat angles P-C4'-P energy: -66.318 tors. eta vs tors. theta energy: -91.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -1098.399749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.399749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.399749 (E_RNA) where: Base-Base interactions energy: -705.550 where: short stacking energy: -319.997 Base-Backbone interact. energy: -0.687 local terms energy: -392.163171 where: bonds (distance) C4'-P energy: -84.161 bonds (distance) P-C4' energy: -84.714 flat angles C4'-P-C4' energy: -84.866 flat angles P-C4'-P energy: -55.218 tors. eta vs tors. theta energy: -83.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1013.832889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.832889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.832889 (E_RNA) where: Base-Base interactions energy: -615.191 where: short stacking energy: -281.285 Base-Backbone interact. energy: -1.052 local terms energy: -397.590149 where: bonds (distance) C4'-P energy: -80.386 bonds (distance) P-C4' energy: -84.564 flat angles C4'-P-C4' energy: -93.674 flat angles P-C4'-P energy: -63.822 tors. eta vs tors. theta energy: -75.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -869.032015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.032015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.032015 (E_RNA) where: Base-Base interactions energy: -519.762 where: short stacking energy: -249.299 Base-Backbone interact. energy: -1.917 local terms energy: -347.352248 where: bonds (distance) C4'-P energy: -78.229 bonds (distance) P-C4' energy: -91.901 flat angles C4'-P-C4' energy: -76.845 flat angles P-C4'-P energy: -55.363 tors. eta vs tors. theta energy: -45.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -741.337388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.337388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.337388 (E_RNA) where: Base-Base interactions energy: -421.344 where: short stacking energy: -248.051 Base-Backbone interact. energy: -1.480 local terms energy: -318.512689 where: bonds (distance) C4'-P energy: -71.157 bonds (distance) P-C4' energy: -72.798 flat angles C4'-P-C4' energy: -71.078 flat angles P-C4'-P energy: -61.014 tors. eta vs tors. theta energy: -42.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -641.973624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.973624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.973624 (E_RNA) where: Base-Base interactions energy: -337.163 where: short stacking energy: -183.304 Base-Backbone interact. energy: 2.403 local terms energy: -307.213718 where: bonds (distance) C4'-P energy: -68.904 bonds (distance) P-C4' energy: -79.924 flat angles C4'-P-C4' energy: -89.737 flat angles P-C4'-P energy: -53.643 tors. eta vs tors. theta energy: -15.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -512.691137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.691137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.691137 (E_RNA) where: Base-Base interactions energy: -248.709 where: short stacking energy: -145.255 Base-Backbone interact. energy: -1.839 local terms energy: -262.142938 where: bonds (distance) C4'-P energy: -64.302 bonds (distance) P-C4' energy: -76.095 flat angles C4'-P-C4' energy: -82.360 flat angles P-C4'-P energy: -43.649 tors. eta vs tors. theta energy: 4.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1509.768675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.768675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.768675 (E_RNA) where: Base-Base interactions energy: -998.049 where: short stacking energy: -474.722 Base-Backbone interact. energy: -1.540 local terms energy: -510.179562 where: bonds (distance) C4'-P energy: -87.017 bonds (distance) P-C4' energy: -90.482 flat angles C4'-P-C4' energy: -108.178 flat angles P-C4'-P energy: -76.669 tors. eta vs tors. theta energy: -147.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1443.084811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.084811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.084811 (E_RNA) where: Base-Base interactions energy: -965.953 where: short stacking energy: -434.869 Base-Backbone interact. energy: -1.977 local terms energy: -475.154417 where: bonds (distance) C4'-P energy: -99.844 bonds (distance) P-C4' energy: -86.326 flat angles C4'-P-C4' energy: -105.142 flat angles P-C4'-P energy: -64.016 tors. eta vs tors. theta energy: -119.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1225.475386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.475386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.475386 (E_RNA) where: Base-Base interactions energy: -777.167 where: short stacking energy: -362.307 Base-Backbone interact. energy: -1.434 local terms energy: -446.874164 where: bonds (distance) C4'-P energy: -99.292 bonds (distance) P-C4' energy: -89.094 flat angles C4'-P-C4' energy: -92.782 flat angles P-C4'-P energy: -70.142 tors. eta vs tors. theta energy: -95.564 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: 10 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1186.126573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.126573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.126573 (E_RNA) where: Base-Base interactions energy: -775.601 where: short stacking energy: -360.033 Base-Backbone interact. energy: -1.599 local terms energy: -408.925953 where: bonds (distance) C4'-P energy: -68.761 bonds (distance) P-C4' energy: -86.909 flat angles C4'-P-C4' energy: -96.601 flat angles P-C4'-P energy: -60.473 tors. eta vs tors. theta energy: -96.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -1132.902082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.902082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.902082 (E_RNA) where: Base-Base interactions energy: -719.053 where: short stacking energy: -324.089 Base-Backbone interact. energy: -2.126 local terms energy: -411.722678 where: bonds (distance) C4'-P energy: -86.165 bonds (distance) P-C4' energy: -84.254 flat angles C4'-P-C4' energy: -96.956 flat angles P-C4'-P energy: -64.636 tors. eta vs tors. theta energy: -79.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -957.397612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.397612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.397612 (E_RNA) where: Base-Base interactions energy: -577.446 where: short stacking energy: -281.734 Base-Backbone interact. energy: 1.659 local terms energy: -381.611079 where: bonds (distance) C4'-P energy: -91.010 bonds (distance) P-C4' energy: -101.030 flat angles C4'-P-C4' energy: -97.223 flat angles P-C4'-P energy: -42.937 tors. eta vs tors. theta energy: -49.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -896.503632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.503632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.503632 (E_RNA) where: Base-Base interactions energy: -544.757 where: short stacking energy: -268.731 Base-Backbone interact. energy: -1.229 local terms energy: -350.518000 where: bonds (distance) C4'-P energy: -90.031 bonds (distance) P-C4' energy: -85.910 flat angles C4'-P-C4' energy: -75.462 flat angles P-C4'-P energy: -46.576 tors. eta vs tors. theta energy: -52.539 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: 7 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -686.476891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.476891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.476891 (E_RNA) where: Base-Base interactions energy: -360.890 where: short stacking energy: -217.330 Base-Backbone interact. energy: 0.662 local terms energy: -326.249519 where: bonds (distance) C4'-P energy: -69.729 bonds (distance) P-C4' energy: -85.056 flat angles C4'-P-C4' energy: -85.173 flat angles P-C4'-P energy: -45.189 tors. eta vs tors. theta energy: -41.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -581.009333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.009333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.009333 (E_RNA) where: Base-Base interactions energy: -310.221 where: short stacking energy: -171.632 Base-Backbone interact. energy: 1.343 local terms energy: -272.131975 where: bonds (distance) C4'-P energy: -80.615 bonds (distance) P-C4' energy: -93.098 flat angles C4'-P-C4' energy: -66.778 flat angles P-C4'-P energy: -38.473 tors. eta vs tors. theta energy: 6.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -478.765344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.765344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.765344 (E_RNA) where: Base-Base interactions energy: -226.294 where: short stacking energy: -142.707 Base-Backbone interact. energy: 2.851 local terms energy: -255.322173 where: bonds (distance) C4'-P energy: -72.034 bonds (distance) P-C4' energy: -83.943 flat angles C4'-P-C4' energy: -59.723 flat angles P-C4'-P energy: -38.377 tors. eta vs tors. theta energy: -1.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1523.231755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.231755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.231755 (E_RNA) where: Base-Base interactions energy: -1002.139 where: short stacking energy: -486.621 Base-Backbone interact. energy: -3.532 local terms energy: -517.560521 where: bonds (distance) C4'-P energy: -97.276 bonds (distance) P-C4' energy: -91.218 flat angles C4'-P-C4' energy: -110.099 flat angles P-C4'-P energy: -62.922 tors. eta vs tors. theta energy: -156.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1457.023139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.023139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.023139 (E_RNA) where: Base-Base interactions energy: -951.425 where: short stacking energy: -427.840 Base-Backbone interact. energy: -0.548 local terms energy: -505.051024 where: bonds (distance) C4'-P energy: -100.586 bonds (distance) P-C4' energy: -104.383 flat angles C4'-P-C4' energy: -109.293 flat angles P-C4'-P energy: -66.438 tors. eta vs tors. theta energy: -124.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1242.446241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.446241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.446241 (E_RNA) where: Base-Base interactions energy: -776.705 where: short stacking energy: -366.106 Base-Backbone interact. energy: -2.332 local terms energy: -463.409586 where: bonds (distance) C4'-P energy: -105.306 bonds (distance) P-C4' energy: -93.183 flat angles C4'-P-C4' energy: -104.023 flat angles P-C4'-P energy: -66.194 tors. eta vs tors. theta energy: -94.704 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: 3 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1208.588244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.588244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.588244 (E_RNA) where: Base-Base interactions energy: -771.030 where: short stacking energy: -381.856 Base-Backbone interact. energy: -0.388 local terms energy: -437.169297 where: bonds (distance) C4'-P energy: -83.395 bonds (distance) P-C4' energy: -95.941 flat angles C4'-P-C4' energy: -95.605 flat angles P-C4'-P energy: -67.630 tors. eta vs tors. theta energy: -94.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -1158.194504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.194504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.194504 (E_RNA) where: Base-Base interactions energy: -741.937 where: short stacking energy: -346.500 Base-Backbone interact. energy: -1.154 local terms energy: -415.103356 where: bonds (distance) C4'-P energy: -92.307 bonds (distance) P-C4' energy: -77.006 flat angles C4'-P-C4' energy: -97.988 flat angles P-C4'-P energy: -59.014 tors. eta vs tors. theta energy: -88.788 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: 4 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -946.998903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.998903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.998903 (E_RNA) where: Base-Base interactions energy: -596.779 where: short stacking energy: -264.172 Base-Backbone interact. energy: -0.834 local terms energy: -349.385455 where: bonds (distance) C4'-P energy: -77.093 bonds (distance) P-C4' energy: -80.861 flat angles C4'-P-C4' energy: -84.887 flat angles P-C4'-P energy: -57.501 tors. eta vs tors. theta energy: -49.044 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: 6 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -874.638491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.638491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.638491 (E_RNA) where: Base-Base interactions energy: -512.576 where: short stacking energy: -255.338 Base-Backbone interact. energy: 1.559 local terms energy: -363.622226 where: bonds (distance) C4'-P energy: -80.812 bonds (distance) P-C4' energy: -86.814 flat angles C4'-P-C4' energy: -79.507 flat angles P-C4'-P energy: -58.986 tors. eta vs tors. theta energy: -57.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -664.408414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.408414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.408414 (E_RNA) where: Base-Base interactions energy: -365.410 where: short stacking energy: -207.905 Base-Backbone interact. energy: 0.273 local terms energy: -299.271592 where: bonds (distance) C4'-P energy: -85.821 bonds (distance) P-C4' energy: -82.127 flat angles C4'-P-C4' energy: -64.030 flat angles P-C4'-P energy: -46.945 tors. eta vs tors. theta energy: -20.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -498.725266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.725266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.725266 (E_RNA) where: Base-Base interactions energy: -230.484 where: short stacking energy: -128.403 Base-Backbone interact. energy: -1.996 local terms energy: -266.245536 where: bonds (distance) C4'-P energy: -74.431 bonds (distance) P-C4' energy: -61.391 flat angles C4'-P-C4' energy: -88.689 flat angles P-C4'-P energy: -47.094 tors. eta vs tors. theta energy: 5.361 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: 1 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -537.988277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.988277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.988277 (E_RNA) where: Base-Base interactions energy: -283.178 where: short stacking energy: -150.690 Base-Backbone interact. energy: 0.815 local terms energy: -255.624926 where: bonds (distance) C4'-P energy: -50.378 bonds (distance) P-C4' energy: -99.057 flat angles C4'-P-C4' energy: -65.984 flat angles P-C4'-P energy: -47.211 tors. eta vs tors. theta energy: 7.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1557.195177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.195177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.195177 (E_RNA) where: Base-Base interactions energy: -1029.008 where: short stacking energy: -487.660 Base-Backbone interact. energy: -1.705 local terms energy: -526.482866 where: bonds (distance) C4'-P energy: -95.834 bonds (distance) P-C4' energy: -95.210 flat angles C4'-P-C4' energy: -108.670 flat angles P-C4'-P energy: -75.790 tors. eta vs tors. theta energy: -150.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1429.618077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.618077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.618077 (E_RNA) where: Base-Base interactions energy: -939.041 where: short stacking energy: -432.743 Base-Backbone interact. energy: 1.818 local terms energy: -492.395153 where: bonds (distance) C4'-P energy: -87.091 bonds (distance) P-C4' energy: -97.941 flat angles C4'-P-C4' energy: -109.306 flat angles P-C4'-P energy: -77.426 tors. eta vs tors. theta energy: -120.630 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: 10 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1184.314652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.314652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.314652 (E_RNA) where: Base-Base interactions energy: -763.665 where: short stacking energy: -359.513 Base-Backbone interact. energy: -4.649 local terms energy: -416.000598 where: bonds (distance) C4'-P energy: -77.809 bonds (distance) P-C4' energy: -99.534 flat angles C4'-P-C4' energy: -101.913 flat angles P-C4'-P energy: -41.781 tors. eta vs tors. theta energy: -94.964 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: 3 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1166.787558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.787558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.787558 (E_RNA) where: Base-Base interactions energy: -734.950 where: short stacking energy: -349.837 Base-Backbone interact. energy: -2.504 local terms energy: -429.333194 where: bonds (distance) C4'-P energy: -87.026 bonds (distance) P-C4' energy: -105.584 flat angles C4'-P-C4' energy: -103.947 flat angles P-C4'-P energy: -57.067 tors. eta vs tors. theta energy: -75.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -1138.013639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.013639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.013639 (E_RNA) where: Base-Base interactions energy: -745.829 where: short stacking energy: -344.066 Base-Backbone interact. energy: -2.095 local terms energy: -390.088877 where: bonds (distance) C4'-P energy: -77.304 bonds (distance) P-C4' energy: -92.701 flat angles C4'-P-C4' energy: -86.146 flat angles P-C4'-P energy: -47.714 tors. eta vs tors. theta energy: -86.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -982.977436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.977436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.977436 (E_RNA) where: Base-Base interactions energy: -616.492 where: short stacking energy: -300.447 Base-Backbone interact. energy: -0.933 local terms energy: -365.553344 where: bonds (distance) C4'-P energy: -78.113 bonds (distance) P-C4' energy: -92.612 flat angles C4'-P-C4' energy: -82.446 flat angles P-C4'-P energy: -43.573 tors. eta vs tors. theta energy: -68.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -857.964723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.964723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.964723 (E_RNA) where: Base-Base interactions energy: -508.369 where: short stacking energy: -261.767 Base-Backbone interact. energy: -1.503 local terms energy: -348.092627 where: bonds (distance) C4'-P energy: -76.241 bonds (distance) P-C4' energy: -83.300 flat angles C4'-P-C4' energy: -82.217 flat angles P-C4'-P energy: -48.431 tors. eta vs tors. theta energy: -57.904 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: 8, replica: 7 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -680.266665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.266665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.266665 (E_RNA) where: Base-Base interactions energy: -390.333 where: short stacking energy: -200.591 Base-Backbone interact. energy: 1.104 local terms energy: -291.037126 where: bonds (distance) C4'-P energy: -71.892 bonds (distance) P-C4' energy: -81.408 flat angles C4'-P-C4' energy: -69.617 flat angles P-C4'-P energy: -42.940 tors. eta vs tors. theta energy: -25.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -529.667539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.667539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.667539 (E_RNA) where: Base-Base interactions energy: -232.841 where: short stacking energy: -123.952 Base-Backbone interact. energy: -0.861 local terms energy: -295.966427 where: bonds (distance) C4'-P energy: -83.567 bonds (distance) P-C4' energy: -93.327 flat angles C4'-P-C4' energy: -79.814 flat angles P-C4'-P energy: -46.277 tors. eta vs tors. theta energy: 7.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -543.283207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.283207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.283207 (E_RNA) where: Base-Base interactions energy: -270.564 where: short stacking energy: -151.657 Base-Backbone interact. energy: -1.492 local terms energy: -271.226845 where: bonds (distance) C4'-P energy: -65.074 bonds (distance) P-C4' energy: -75.537 flat angles C4'-P-C4' energy: -64.791 flat angles P-C4'-P energy: -64.171 tors. eta vs tors. theta energy: -1.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1534.807546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.807546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.807546 (E_RNA) where: Base-Base interactions energy: -1009.832 where: short stacking energy: -479.225 Base-Backbone interact. energy: -1.329 local terms energy: -523.646820 where: bonds (distance) C4'-P energy: -92.169 bonds (distance) P-C4' energy: -98.766 flat angles C4'-P-C4' energy: -107.556 flat angles P-C4'-P energy: -76.054 tors. eta vs tors. theta energy: -149.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1377.223176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.223176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.223176 (E_RNA) where: Base-Base interactions energy: -896.553 where: short stacking energy: -416.750 Base-Backbone interact. energy: -1.043 local terms energy: -479.627426 where: bonds (distance) C4'-P energy: -98.485 bonds (distance) P-C4' energy: -89.974 flat angles C4'-P-C4' energy: -108.367 flat angles P-C4'-P energy: -62.947 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: 3, replica: 10 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1241.667225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.667225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.667225 (E_RNA) where: Base-Base interactions energy: -819.894 where: short stacking energy: -404.548 Base-Backbone interact. energy: 0.187 local terms energy: -421.959966 where: bonds (distance) C4'-P energy: -73.955 bonds (distance) P-C4' energy: -82.328 flat angles C4'-P-C4' energy: -98.105 flat angles P-C4'-P energy: -65.123 tors. eta vs tors. theta energy: -102.449 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: 3 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1180.881341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.881341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.881341 (E_RNA) where: Base-Base interactions energy: -763.701 where: short stacking energy: -361.921 Base-Backbone interact. energy: -1.195 local terms energy: -415.985670 where: bonds (distance) C4'-P energy: -80.453 bonds (distance) P-C4' energy: -76.524 flat angles C4'-P-C4' energy: -100.708 flat angles P-C4'-P energy: -63.248 tors. eta vs tors. theta energy: -95.053 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: 2 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -1153.176057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.176057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.176057 (E_RNA) where: Base-Base interactions energy: -731.828 where: short stacking energy: -342.788 Base-Backbone interact. energy: -2.512 local terms energy: -418.835802 where: bonds (distance) C4'-P energy: -85.657 bonds (distance) P-C4' energy: -84.662 flat angles C4'-P-C4' energy: -98.795 flat angles P-C4'-P energy: -55.377 tors. eta vs tors. theta energy: -94.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -952.378531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.378531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.378531 (E_RNA) where: Base-Base interactions energy: -550.242 where: short stacking energy: -252.504 Base-Backbone interact. energy: -2.077 local terms energy: -400.059869 where: bonds (distance) C4'-P energy: -99.786 bonds (distance) P-C4' energy: -89.679 flat angles C4'-P-C4' energy: -104.242 flat angles P-C4'-P energy: -59.246 tors. eta vs tors. theta energy: -47.107 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: 186 Temperature: 1.200000 Total energy: -862.478594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.478594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.478594 (E_RNA) where: Base-Base interactions energy: -508.282 where: short stacking energy: -242.671 Base-Backbone interact. energy: 0.978 local terms energy: -355.174893 where: bonds (distance) C4'-P energy: -85.529 bonds (distance) P-C4' energy: -80.038 flat angles C4'-P-C4' energy: -85.079 flat angles P-C4'-P energy: -48.243 tors. eta vs tors. theta energy: -56.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -690.019294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.019294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.019294 (E_RNA) where: Base-Base interactions energy: -362.743 where: short stacking energy: -179.439 Base-Backbone interact. energy: 0.442 local terms energy: -327.718745 where: bonds (distance) C4'-P energy: -83.899 bonds (distance) P-C4' energy: -73.193 flat angles C4'-P-C4' energy: -82.386 flat angles P-C4'-P energy: -60.035 tors. eta vs tors. theta energy: -28.205 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: 1 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -561.222915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.222915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.222915 (E_RNA) where: Base-Base interactions energy: -294.386 where: short stacking energy: -165.933 Base-Backbone interact. energy: 1.255 local terms energy: -268.091602 where: bonds (distance) C4'-P energy: -79.913 bonds (distance) P-C4' energy: -74.253 flat angles C4'-P-C4' energy: -65.891 flat angles P-C4'-P energy: -43.639 tors. eta vs tors. theta energy: -4.397 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: 8 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -472.114050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.114050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.114050 (E_RNA) where: Base-Base interactions energy: -229.547 where: short stacking energy: -151.403 Base-Backbone interact. energy: -0.964 local terms energy: -241.603290 where: bonds (distance) C4'-P energy: -77.802 bonds (distance) P-C4' energy: -83.248 flat angles C4'-P-C4' energy: -58.266 flat angles P-C4'-P energy: -31.365 tors. eta vs tors. theta energy: 9.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1513.181816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.181816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.181816 (E_RNA) where: Base-Base interactions energy: -997.789 where: short stacking energy: -469.188 Base-Backbone interact. energy: -2.748 local terms energy: -512.644879 where: bonds (distance) C4'-P energy: -97.057 bonds (distance) P-C4' energy: -99.145 flat angles C4'-P-C4' energy: -109.970 flat angles P-C4'-P energy: -66.789 tors. eta vs tors. theta energy: -139.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1366.096660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.096660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.096660 (E_RNA) where: Base-Base interactions energy: -885.771 where: short stacking energy: -400.582 Base-Backbone interact. energy: 1.871 local terms energy: -482.196197 where: bonds (distance) C4'-P energy: -89.400 bonds (distance) P-C4' energy: -99.437 flat angles C4'-P-C4' energy: -104.143 flat angles P-C4'-P energy: -75.836 tors. eta vs tors. theta energy: -113.380 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: 10 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1204.254516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.254516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.254516 (E_RNA) where: Base-Base interactions energy: -767.829 where: short stacking energy: -360.412 Base-Backbone interact. energy: -2.587 local terms energy: -433.837882 where: bonds (distance) C4'-P energy: -85.804 bonds (distance) P-C4' energy: -95.187 flat angles C4'-P-C4' energy: -94.841 flat angles P-C4'-P energy: -59.281 tors. eta vs tors. theta energy: -98.724 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: 3 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1183.833944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.833944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.833944 (E_RNA) where: Base-Base interactions energy: -750.274 where: short stacking energy: -357.101 Base-Backbone interact. energy: 2.047 local terms energy: -435.606844 where: bonds (distance) C4'-P energy: -88.796 bonds (distance) P-C4' energy: -104.912 flat angles C4'-P-C4' energy: -98.136 flat angles P-C4'-P energy: -54.041 tors. eta vs tors. theta energy: -89.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1144.610403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.610403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.610403 (E_RNA) where: Base-Base interactions energy: -728.374 where: short stacking energy: -349.948 Base-Backbone interact. energy: -3.174 local terms energy: -413.062832 where: bonds (distance) C4'-P energy: -63.835 bonds (distance) P-C4' energy: -84.117 flat angles C4'-P-C4' energy: -102.210 flat angles P-C4'-P energy: -60.436 tors. eta vs tors. theta energy: -102.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -931.787418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.787418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.787418 (E_RNA) where: Base-Base interactions energy: -587.714 where: short stacking energy: -275.964 Base-Backbone interact. energy: -2.164 local terms energy: -341.908632 where: bonds (distance) C4'-P energy: -81.616 bonds (distance) P-C4' energy: -83.605 flat angles C4'-P-C4' energy: -88.659 flat angles P-C4'-P energy: -47.153 tors. eta vs tors. theta energy: -40.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -902.943067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.943067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.943067 (E_RNA) where: Base-Base interactions energy: -530.046 where: short stacking energy: -244.851 Base-Backbone interact. energy: 3.725 local terms energy: -376.622660 where: bonds (distance) C4'-P energy: -84.416 bonds (distance) P-C4' energy: -96.223 flat angles C4'-P-C4' energy: -102.042 flat angles P-C4'-P energy: -48.780 tors. eta vs tors. theta energy: -45.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -719.310264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.310264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.310264 (E_RNA) where: Base-Base interactions energy: -426.146 where: short stacking energy: -196.538 Base-Backbone interact. energy: 4.546 local terms energy: -297.709658 where: bonds (distance) C4'-P energy: -82.848 bonds (distance) P-C4' energy: -77.213 flat angles C4'-P-C4' energy: -71.834 flat angles P-C4'-P energy: -46.544 tors. eta vs tors. theta energy: -19.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -580.594074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.594074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.594074 (E_RNA) where: Base-Base interactions energy: -300.906 where: short stacking energy: -176.343 Base-Backbone interact. energy: 0.915 local terms energy: -280.602839 where: bonds (distance) C4'-P energy: -64.329 bonds (distance) P-C4' energy: -77.381 flat angles C4'-P-C4' energy: -80.136 flat angles P-C4'-P energy: -50.834 tors. eta vs tors. theta energy: -7.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -509.986256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.986256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.986256 (E_RNA) where: Base-Base interactions energy: -229.864 where: short stacking energy: -118.053 Base-Backbone interact. energy: 4.515 local terms energy: -284.637317 where: bonds (distance) C4'-P energy: -81.157 bonds (distance) P-C4' energy: -87.363 flat angles C4'-P-C4' energy: -76.048 flat angles P-C4'-P energy: -49.464 tors. eta vs tors. theta energy: 9.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1530.605669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.605669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.605669 (E_RNA) where: Base-Base interactions energy: -1010.056 where: short stacking energy: -478.655 Base-Backbone interact. energy: -0.172 local terms energy: -520.377258 where: bonds (distance) C4'-P energy: -91.852 bonds (distance) P-C4' energy: -101.853 flat angles C4'-P-C4' energy: -116.896 flat angles P-C4'-P energy: -61.435 tors. eta vs tors. theta energy: -148.340 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: 9 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1402.537296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.537296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.537296 (E_RNA) where: Base-Base interactions energy: -924.378 where: short stacking energy: -429.442 Base-Backbone interact. energy: -0.942 local terms energy: -477.217178 where: bonds (distance) C4'-P energy: -96.618 bonds (distance) P-C4' energy: -98.701 flat angles C4'-P-C4' energy: -96.520 flat angles P-C4'-P energy: -67.694 tors. eta vs tors. theta energy: -117.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1231.229198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.229198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.229198 (E_RNA) where: Base-Base interactions energy: -801.417 where: short stacking energy: -406.904 Base-Backbone interact. energy: 0.169 local terms energy: -429.981288 where: bonds (distance) C4'-P energy: -77.883 bonds (distance) P-C4' energy: -85.038 flat angles C4'-P-C4' energy: -92.128 flat angles P-C4'-P energy: -56.317 tors. eta vs tors. theta energy: -118.614 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: 3 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1175.611653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.611653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.611653 (E_RNA) where: Base-Base interactions energy: -732.093 where: short stacking energy: -374.303 Base-Backbone interact. energy: 0.580 local terms energy: -444.097982 where: bonds (distance) C4'-P energy: -95.325 bonds (distance) P-C4' energy: -92.081 flat angles C4'-P-C4' energy: -92.808 flat angles P-C4'-P energy: -55.470 tors. eta vs tors. theta energy: -108.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -1153.343984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.343984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.343984 (E_RNA) where: Base-Base interactions energy: -731.303 where: short stacking energy: -335.997 Base-Backbone interact. energy: -1.378 local terms energy: -420.663104 where: bonds (distance) C4'-P energy: -87.120 bonds (distance) P-C4' energy: -78.907 flat angles C4'-P-C4' energy: -101.992 flat angles P-C4'-P energy: -57.795 tors. eta vs tors. theta energy: -94.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -978.277724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.277724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.277724 (E_RNA) where: Base-Base interactions energy: -604.496 where: short stacking energy: -274.989 Base-Backbone interact. energy: -1.968 local terms energy: -371.812864 where: bonds (distance) C4'-P energy: -94.629 bonds (distance) P-C4' energy: -75.082 flat angles C4'-P-C4' energy: -84.216 flat angles P-C4'-P energy: -67.176 tors. eta vs tors. theta energy: -50.710 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: 6 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -896.686105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.686105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.686105 (E_RNA) where: Base-Base interactions energy: -523.402 where: short stacking energy: -243.096 Base-Backbone interact. energy: -1.593 local terms energy: -371.691666 where: bonds (distance) C4'-P energy: -86.121 bonds (distance) P-C4' energy: -85.322 flat angles C4'-P-C4' energy: -94.479 flat angles P-C4'-P energy: -66.026 tors. eta vs tors. theta energy: -39.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -756.076239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.076239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.076239 (E_RNA) where: Base-Base interactions energy: -443.644 where: short stacking energy: -219.489 Base-Backbone interact. energy: -4.298 local terms energy: -308.134965 where: bonds (distance) C4'-P energy: -65.136 bonds (distance) P-C4' energy: -91.862 flat angles C4'-P-C4' energy: -76.706 flat angles P-C4'-P energy: -49.040 tors. eta vs tors. theta energy: -25.390 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: 1 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -619.347490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.347490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.347490 (E_RNA) where: Base-Base interactions energy: -342.721 where: short stacking energy: -158.487 Base-Backbone interact. energy: 2.653 local terms energy: -279.279178 where: bonds (distance) C4'-P energy: -93.778 bonds (distance) P-C4' energy: -84.744 flat angles C4'-P-C4' energy: -57.788 flat angles P-C4'-P energy: -37.191 tors. eta vs tors. theta energy: -5.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -465.996807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.996807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.996807 (E_RNA) where: Base-Base interactions energy: -212.619 where: short stacking energy: -132.976 Base-Backbone interact. energy: -0.870 local terms energy: -252.508238 where: bonds (distance) C4'-P energy: -65.946 bonds (distance) P-C4' energy: -83.508 flat angles C4'-P-C4' energy: -72.630 flat angles P-C4'-P energy: -30.062 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: 1, replica: 5 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1536.574006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.574006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.574006 (E_RNA) where: Base-Base interactions energy: -995.977 where: short stacking energy: -477.261 Base-Backbone interact. energy: -1.441 local terms energy: -539.155902 where: bonds (distance) C4'-P energy: -98.357 bonds (distance) P-C4' energy: -105.540 flat angles C4'-P-C4' energy: -116.049 flat angles P-C4'-P energy: -69.674 tors. eta vs tors. theta energy: -149.535 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: 9 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1385.006745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.006745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.006745 (E_RNA) where: Base-Base interactions energy: -887.713 where: short stacking energy: -422.682 Base-Backbone interact. energy: -1.667 local terms energy: -495.626979 where: bonds (distance) C4'-P energy: -97.109 bonds (distance) P-C4' energy: -106.545 flat angles C4'-P-C4' energy: -114.585 flat angles P-C4'-P energy: -60.298 tors. eta vs tors. theta energy: -117.090 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: 10 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1204.916444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.916444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.916444 (E_RNA) where: Base-Base interactions energy: -756.773 where: short stacking energy: -372.632 Base-Backbone interact. energy: -0.898 local terms energy: -447.245280 where: bonds (distance) C4'-P energy: -107.383 bonds (distance) P-C4' energy: -92.926 flat angles C4'-P-C4' energy: -93.752 flat angles P-C4'-P energy: -49.399 tors. eta vs tors. theta energy: -103.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1180.623095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.623095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.623095 (E_RNA) where: Base-Base interactions energy: -764.154 where: short stacking energy: -360.169 Base-Backbone interact. energy: 2.606 local terms energy: -419.075938 where: bonds (distance) C4'-P energy: -75.638 bonds (distance) P-C4' energy: -91.455 flat angles C4'-P-C4' energy: -96.091 flat angles P-C4'-P energy: -55.329 tors. eta vs tors. theta energy: -100.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -1109.134269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.134269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.134269 (E_RNA) where: Base-Base interactions energy: -696.441 where: short stacking energy: -336.411 Base-Backbone interact. energy: 0.788 local terms energy: -413.480800 where: bonds (distance) C4'-P energy: -73.177 bonds (distance) P-C4' energy: -99.402 flat angles C4'-P-C4' energy: -93.607 flat angles P-C4'-P energy: -59.790 tors. eta vs tors. theta energy: -87.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -974.688682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.688682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.688682 (E_RNA) where: Base-Base interactions energy: -606.294 where: short stacking energy: -294.227 Base-Backbone interact. energy: 0.513 local terms energy: -368.907854 where: bonds (distance) C4'-P energy: -76.152 bonds (distance) P-C4' energy: -84.717 flat angles C4'-P-C4' energy: -89.008 flat angles P-C4'-P energy: -55.592 tors. eta vs tors. theta energy: -63.438 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: 6 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -872.017220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.017220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.017220 (E_RNA) where: Base-Base interactions energy: -527.751 where: short stacking energy: -240.000 Base-Backbone interact. energy: 1.140 local terms energy: -345.406468 where: bonds (distance) C4'-P energy: -83.202 bonds (distance) P-C4' energy: -77.184 flat angles C4'-P-C4' energy: -90.200 flat angles P-C4'-P energy: -49.824 tors. eta vs tors. theta energy: -44.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -666.191248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.191248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.191248 (E_RNA) where: Base-Base interactions energy: -345.095 where: short stacking energy: -195.265 Base-Backbone interact. energy: 0.656 local terms energy: -321.752980 where: bonds (distance) C4'-P energy: -83.284 bonds (distance) P-C4' energy: -84.045 flat angles C4'-P-C4' energy: -81.262 flat angles P-C4'-P energy: -48.604 tors. eta vs tors. theta energy: -24.557 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: 1 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -589.742593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.742593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.742593 (E_RNA) where: Base-Base interactions energy: -324.670 where: short stacking energy: -192.686 Base-Backbone interact. energy: 1.032 local terms energy: -266.103771 where: bonds (distance) C4'-P energy: -76.370 bonds (distance) P-C4' energy: -71.112 flat angles C4'-P-C4' energy: -65.560 flat angles P-C4'-P energy: -38.187 tors. eta vs tors. theta energy: -14.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -465.017886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.017886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.017886 (E_RNA) where: Base-Base interactions energy: -208.389 where: short stacking energy: -133.671 Base-Backbone interact. energy: 1.321 local terms energy: -257.950064 where: bonds (distance) C4'-P energy: -72.913 bonds (distance) P-C4' energy: -79.700 flat angles C4'-P-C4' energy: -55.832 flat angles P-C4'-P energy: -49.709 tors. eta vs tors. theta energy: 0.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1539.338541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.338541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.338541 (E_RNA) where: Base-Base interactions energy: -1003.783 where: short stacking energy: -497.422 Base-Backbone interact. energy: -0.015 local terms energy: -535.540770 where: bonds (distance) C4'-P energy: -90.187 bonds (distance) P-C4' energy: -109.205 flat angles C4'-P-C4' energy: -110.195 flat angles P-C4'-P energy: -77.686 tors. eta vs tors. theta energy: -148.269 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: 9 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1360.397202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.397202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.397202 (E_RNA) where: Base-Base interactions energy: -897.102 where: short stacking energy: -434.823 Base-Backbone interact. energy: -0.497 local terms energy: -462.798096 where: bonds (distance) C4'-P energy: -85.698 bonds (distance) P-C4' energy: -96.624 flat angles C4'-P-C4' energy: -105.583 flat angles P-C4'-P energy: -64.224 tors. eta vs tors. theta energy: -110.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1215.543815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.543815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.543815 (E_RNA) where: Base-Base interactions energy: -789.146 where: short stacking energy: -381.818 Base-Backbone interact. energy: -4.190 local terms energy: -422.207246 where: bonds (distance) C4'-P energy: -81.309 bonds (distance) P-C4' energy: -90.290 flat angles C4'-P-C4' energy: -94.276 flat angles P-C4'-P energy: -61.480 tors. eta vs tors. theta energy: -94.853 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: 3 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1121.201624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.201624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.201624 (E_RNA) where: Base-Base interactions energy: -713.281 where: short stacking energy: -351.252 Base-Backbone interact. energy: -1.473 local terms energy: -406.447423 where: bonds (distance) C4'-P energy: -77.161 bonds (distance) P-C4' energy: -87.524 flat angles C4'-P-C4' energy: -92.004 flat angles P-C4'-P energy: -61.759 tors. eta vs tors. theta energy: -87.999 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: 2 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1090.687519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.687519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.687519 (E_RNA) where: Base-Base interactions energy: -699.863 where: short stacking energy: -324.729 Base-Backbone interact. energy: -1.613 local terms energy: -389.212153 where: bonds (distance) C4'-P energy: -71.874 bonds (distance) P-C4' energy: -95.902 flat angles C4'-P-C4' energy: -93.992 flat angles P-C4'-P energy: -55.502 tors. eta vs tors. theta energy: -71.941 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: 4 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -978.581761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.581761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.581761 (E_RNA) where: Base-Base interactions energy: -599.930 where: short stacking energy: -290.847 Base-Backbone interact. energy: -1.151 local terms energy: -377.500546 where: bonds (distance) C4'-P energy: -81.023 bonds (distance) P-C4' energy: -84.540 flat angles C4'-P-C4' energy: -81.374 flat angles P-C4'-P energy: -58.528 tors. eta vs tors. theta energy: -72.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -889.583508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.583508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.583508 (E_RNA) where: Base-Base interactions energy: -516.201 where: short stacking energy: -249.414 Base-Backbone interact. energy: 6.625 local terms energy: -380.007267 where: bonds (distance) C4'-P energy: -86.697 bonds (distance) P-C4' energy: -90.032 flat angles C4'-P-C4' energy: -100.697 flat angles P-C4'-P energy: -47.168 tors. eta vs tors. theta energy: -55.414 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: 7 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -642.761775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.761775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.761775 (E_RNA) where: Base-Base interactions energy: -331.970 where: short stacking energy: -152.368 Base-Backbone interact. energy: 0.480 local terms energy: -311.271829 where: bonds (distance) C4'-P energy: -67.018 bonds (distance) P-C4' energy: -94.788 flat angles C4'-P-C4' energy: -85.593 flat angles P-C4'-P energy: -51.838 tors. eta vs tors. theta energy: -12.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -596.242617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.242617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.242617 (E_RNA) where: Base-Base interactions energy: -309.966 where: short stacking energy: -162.102 Base-Backbone interact. energy: -1.744 local terms energy: -284.532577 where: bonds (distance) C4'-P energy: -82.507 bonds (distance) P-C4' energy: -71.466 flat angles C4'-P-C4' energy: -73.843 flat angles P-C4'-P energy: -56.095 tors. eta vs tors. theta energy: -0.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -511.762752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.762752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.762752 (E_RNA) where: Base-Base interactions energy: -263.536 where: short stacking energy: -154.953 Base-Backbone interact. energy: -0.758 local terms energy: -247.468997 where: bonds (distance) C4'-P energy: -80.242 bonds (distance) P-C4' energy: -84.271 flat angles C4'-P-C4' energy: -51.184 flat angles P-C4'-P energy: -42.066 tors. eta vs tors. theta energy: 10.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1486.043120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.043120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.043120 (E_RNA) where: Base-Base interactions energy: -980.418 where: short stacking energy: -480.703 Base-Backbone interact. energy: -0.952 local terms energy: -504.672608 where: bonds (distance) C4'-P energy: -83.610 bonds (distance) P-C4' energy: -117.063 flat angles C4'-P-C4' energy: -99.745 flat angles P-C4'-P energy: -66.531 tors. eta vs tors. theta energy: -137.723 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: 2, replica: 9 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1347.424246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.424246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.424246 (E_RNA) where: Base-Base interactions energy: -885.279 where: short stacking energy: -408.550 Base-Backbone interact. energy: -0.704 local terms energy: -461.440901 where: bonds (distance) C4'-P energy: -97.877 bonds (distance) P-C4' energy: -93.958 flat angles C4'-P-C4' energy: -107.322 flat angles P-C4'-P energy: -51.490 tors. eta vs tors. theta energy: -110.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1228.311362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.311362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.311362 (E_RNA) where: Base-Base interactions energy: -773.432 where: short stacking energy: -369.469 Base-Backbone interact. energy: -1.134 local terms energy: -453.745209 where: bonds (distance) C4'-P energy: -88.916 bonds (distance) P-C4' energy: -97.314 flat angles C4'-P-C4' energy: -91.556 flat angles P-C4'-P energy: -75.766 tors. eta vs tors. theta energy: -100.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1133.535280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.535280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.535280 (E_RNA) where: Base-Base interactions energy: -704.933 where: short stacking energy: -324.368 Base-Backbone interact. energy: -1.937 local terms energy: -426.664661 where: bonds (distance) C4'-P energy: -97.954 bonds (distance) P-C4' energy: -95.144 flat angles C4'-P-C4' energy: -96.587 flat angles P-C4'-P energy: -61.059 tors. eta vs tors. theta energy: -75.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1127.544714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.544714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.544714 (E_RNA) where: Base-Base interactions energy: -712.843 where: short stacking energy: -334.615 Base-Backbone interact. energy: -1.132 local terms energy: -413.569520 where: bonds (distance) C4'-P energy: -78.859 bonds (distance) P-C4' energy: -98.346 flat angles C4'-P-C4' energy: -96.355 flat angles P-C4'-P energy: -52.592 tors. eta vs tors. theta energy: -87.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -940.619109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.619109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.619109 (E_RNA) where: Base-Base interactions energy: -556.949 where: short stacking energy: -310.887 Base-Backbone interact. energy: -0.261 local terms energy: -383.408633 where: bonds (distance) C4'-P energy: -74.002 bonds (distance) P-C4' energy: -97.234 flat angles C4'-P-C4' energy: -91.046 flat angles P-C4'-P energy: -41.327 tors. eta vs tors. theta energy: -79.801 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: 4 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -872.553570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.553570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.553570 (E_RNA) where: Base-Base interactions energy: -525.427 where: short stacking energy: -259.981 Base-Backbone interact. energy: -0.255 local terms energy: -346.871439 where: bonds (distance) C4'-P energy: -77.355 bonds (distance) P-C4' energy: -82.650 flat angles C4'-P-C4' energy: -91.812 flat angles P-C4'-P energy: -47.279 tors. eta vs tors. theta energy: -47.776 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: 7 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -643.348102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.348102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.348102 (E_RNA) where: Base-Base interactions energy: -326.742 where: short stacking energy: -168.699 Base-Backbone interact. energy: -1.487 local terms energy: -315.118609 where: bonds (distance) C4'-P energy: -80.283 bonds (distance) P-C4' energy: -99.771 flat angles C4'-P-C4' energy: -75.405 flat angles P-C4'-P energy: -52.025 tors. eta vs tors. theta energy: -7.634 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: 1 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -596.240059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.240059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.240059 (E_RNA) where: Base-Base interactions energy: -316.642 where: short stacking energy: -168.642 Base-Backbone interact. energy: 2.215 local terms energy: -281.812805 where: bonds (distance) C4'-P energy: -72.657 bonds (distance) P-C4' energy: -84.393 flat angles C4'-P-C4' energy: -62.114 flat angles P-C4'-P energy: -57.529 tors. eta vs tors. theta energy: -5.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -514.713438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.713438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.713438 (E_RNA) where: Base-Base interactions energy: -256.448 where: short stacking energy: -154.891 Base-Backbone interact. energy: -2.650 local terms energy: -255.615806 where: bonds (distance) C4'-P energy: -65.517 bonds (distance) P-C4' energy: -80.996 flat angles C4'-P-C4' energy: -65.654 flat angles P-C4'-P energy: -33.344 tors. eta vs tors. theta energy: -10.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1499.336744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.336744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.336744 (E_RNA) where: Base-Base interactions energy: -991.943 where: short stacking energy: -461.566 Base-Backbone interact. energy: -0.258 local terms energy: -507.135271 where: bonds (distance) C4'-P energy: -95.711 bonds (distance) P-C4' energy: -99.457 flat angles C4'-P-C4' energy: -107.607 flat angles P-C4'-P energy: -64.396 tors. eta vs tors. theta energy: -139.964 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: 9 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1359.861076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.861076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.861076 (E_RNA) where: Base-Base interactions energy: -895.569 where: short stacking energy: -416.789 Base-Backbone interact. energy: 2.588 local terms energy: -466.880596 where: bonds (distance) C4'-P energy: -87.553 bonds (distance) P-C4' energy: -85.156 flat angles C4'-P-C4' energy: -102.630 flat angles P-C4'-P energy: -73.241 tors. eta vs tors. theta energy: -118.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1241.603149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.603149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.603149 (E_RNA) where: Base-Base interactions energy: -800.269 where: short stacking energy: -386.345 Base-Backbone interact. energy: -1.413 local terms energy: -439.921301 where: bonds (distance) C4'-P energy: -92.114 bonds (distance) P-C4' energy: -96.667 flat angles C4'-P-C4' energy: -94.941 flat angles P-C4'-P energy: -53.044 tors. eta vs tors. theta energy: -103.155 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: 3 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1143.671004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.671004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.671004 (E_RNA) where: Base-Base interactions energy: -726.749 where: short stacking energy: -344.353 Base-Backbone interact. energy: -0.982 local terms energy: -415.939397 where: bonds (distance) C4'-P energy: -83.738 bonds (distance) P-C4' energy: -94.071 flat angles C4'-P-C4' energy: -91.688 flat angles P-C4'-P energy: -54.876 tors. eta vs tors. theta energy: -91.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -1014.708650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.708650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.708650 (E_RNA) where: Base-Base interactions energy: -627.115 where: short stacking energy: -314.877 Base-Backbone interact. energy: 2.056 local terms energy: -389.650242 where: bonds (distance) C4'-P energy: -85.648 bonds (distance) P-C4' energy: -86.907 flat angles C4'-P-C4' energy: -88.218 flat angles P-C4'-P energy: -46.997 tors. eta vs tors. theta energy: -81.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1093.923605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.923605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.923605 (E_RNA) where: Base-Base interactions energy: -679.818 where: short stacking energy: -318.500 Base-Backbone interact. energy: -3.253 local terms energy: -410.852934 where: bonds (distance) C4'-P energy: -88.781 bonds (distance) P-C4' energy: -91.383 flat angles C4'-P-C4' energy: -82.278 flat angles P-C4'-P energy: -56.227 tors. eta vs tors. theta energy: -92.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -861.720059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.720059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.720059 (E_RNA) where: Base-Base interactions energy: -510.586 where: short stacking energy: -230.280 Base-Backbone interact. energy: -1.782 local terms energy: -349.352601 where: bonds (distance) C4'-P energy: -80.344 bonds (distance) P-C4' energy: -93.116 flat angles C4'-P-C4' energy: -73.386 flat angles P-C4'-P energy: -58.801 tors. eta vs tors. theta energy: -43.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -635.573558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.573558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.573558 (E_RNA) where: Base-Base interactions energy: -321.161 where: short stacking energy: -161.581 Base-Backbone interact. energy: -1.995 local terms energy: -312.417265 where: bonds (distance) C4'-P energy: -82.866 bonds (distance) P-C4' energy: -84.038 flat angles C4'-P-C4' energy: -71.592 flat angles P-C4'-P energy: -50.748 tors. eta vs tors. theta energy: -23.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -642.295764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.295764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.295764 (E_RNA) where: Base-Base interactions energy: -347.886 where: short stacking energy: -161.813 Base-Backbone interact. energy: 0.147 local terms energy: -294.556288 where: bonds (distance) C4'-P energy: -78.789 bonds (distance) P-C4' energy: -77.091 flat angles C4'-P-C4' energy: -77.197 flat angles P-C4'-P energy: -48.031 tors. eta vs tors. theta energy: -13.448 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: 8 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -512.083479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.083479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.083479 (E_RNA) where: Base-Base interactions energy: -246.995 where: short stacking energy: -141.916 Base-Backbone interact. energy: 0.662 local terms energy: -265.750567 where: bonds (distance) C4'-P energy: -79.307 bonds (distance) P-C4' energy: -81.666 flat angles C4'-P-C4' energy: -69.305 flat angles P-C4'-P energy: -44.914 tors. eta vs tors. theta energy: 9.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1481.600108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.600108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.600108 (E_RNA) where: Base-Base interactions energy: -969.806 where: short stacking energy: -455.118 Base-Backbone interact. energy: -1.976 local terms energy: -509.817980 where: bonds (distance) C4'-P energy: -99.467 bonds (distance) P-C4' energy: -102.422 flat angles C4'-P-C4' energy: -101.278 flat angles P-C4'-P energy: -68.859 tors. eta vs tors. theta energy: -137.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1347.470334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.470334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.470334 (E_RNA) where: Base-Base interactions energy: -876.530 where: short stacking energy: -409.319 Base-Backbone interact. energy: -0.856 local terms energy: -470.084791 where: bonds (distance) C4'-P energy: -101.040 bonds (distance) P-C4' energy: -105.379 flat angles C4'-P-C4' energy: -103.987 flat angles P-C4'-P energy: -49.940 tors. eta vs tors. theta energy: -109.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1207.065248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.065248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.065248 (E_RNA) where: Base-Base interactions energy: -744.717 where: short stacking energy: -368.316 Base-Backbone interact. energy: -2.620 local terms energy: -459.727634 where: bonds (distance) C4'-P energy: -101.549 bonds (distance) P-C4' energy: -89.499 flat angles C4'-P-C4' energy: -84.217 flat angles P-C4'-P energy: -70.012 tors. eta vs tors. theta energy: -114.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1143.647659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.647659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.647659 (E_RNA) where: Base-Base interactions energy: -704.069 where: short stacking energy: -346.920 Base-Backbone interact. energy: -0.993 local terms energy: -438.586234 where: bonds (distance) C4'-P energy: -91.583 bonds (distance) P-C4' energy: -98.451 flat angles C4'-P-C4' energy: -96.606 flat angles P-C4'-P energy: -67.926 tors. eta vs tors. theta energy: -84.020 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: 5, replica: 6 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -1013.928729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.928729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.928729 (E_RNA) where: Base-Base interactions energy: -605.560 where: short stacking energy: -300.503 Base-Backbone interact. energy: -1.253 local terms energy: -407.115808 where: bonds (distance) C4'-P energy: -84.643 bonds (distance) P-C4' energy: -92.723 flat angles C4'-P-C4' energy: -94.829 flat angles P-C4'-P energy: -55.992 tors. eta vs tors. theta energy: -78.929 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: 2 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1056.756242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.756242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.756242 (E_RNA) where: Base-Base interactions energy: -686.821 where: short stacking energy: -296.462 Base-Backbone interact. energy: -0.256 local terms energy: -369.678816 where: bonds (distance) C4'-P energy: -85.831 bonds (distance) P-C4' energy: -81.794 flat angles C4'-P-C4' energy: -93.862 flat angles P-C4'-P energy: -52.044 tors. eta vs tors. theta energy: -56.148 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: 193 Temperature: 1.200000 Total energy: -823.138220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.138220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.138220 (E_RNA) where: Base-Base interactions energy: -486.311 where: short stacking energy: -236.179 Base-Backbone interact. energy: -0.173 local terms energy: -336.653854 where: bonds (distance) C4'-P energy: -72.882 bonds (distance) P-C4' energy: -83.546 flat angles C4'-P-C4' energy: -85.390 flat angles P-C4'-P energy: -54.604 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: 8, replica: 1 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -688.135200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.135200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.135200 (E_RNA) where: Base-Base interactions energy: -374.083 where: short stacking energy: -192.611 Base-Backbone interact. energy: -2.786 local terms energy: -311.266118 where: bonds (distance) C4'-P energy: -68.302 bonds (distance) P-C4' energy: -94.196 flat angles C4'-P-C4' energy: -96.650 flat angles P-C4'-P energy: -44.900 tors. eta vs tors. theta energy: -7.218 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: 7 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -683.943530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.943530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.943530 (E_RNA) where: Base-Base interactions energy: -371.965 where: short stacking energy: -176.693 Base-Backbone interact. energy: -0.680 local terms energy: -311.297722 where: bonds (distance) C4'-P energy: -82.458 bonds (distance) P-C4' energy: -97.800 flat angles C4'-P-C4' energy: -61.203 flat angles P-C4'-P energy: -49.053 tors. eta vs tors. theta energy: -20.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -480.711482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.711482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.711482 (E_RNA) where: Base-Base interactions energy: -236.485 where: short stacking energy: -146.972 Base-Backbone interact. energy: 3.216 local terms energy: -247.442727 where: bonds (distance) C4'-P energy: -75.371 bonds (distance) P-C4' energy: -75.187 flat angles C4'-P-C4' energy: -51.674 flat angles P-C4'-P energy: -39.756 tors. eta vs tors. theta energy: -5.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1498.713155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.713155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.713155 (E_RNA) where: Base-Base interactions energy: -1000.531 where: short stacking energy: -491.071 Base-Backbone interact. energy: -2.332 local terms energy: -495.850138 where: bonds (distance) C4'-P energy: -89.040 bonds (distance) P-C4' energy: -89.876 flat angles C4'-P-C4' energy: -105.562 flat angles P-C4'-P energy: -63.108 tors. eta vs tors. theta energy: -148.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1373.060348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.060348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.060348 (E_RNA) where: Base-Base interactions energy: -895.145 where: short stacking energy: -392.754 Base-Backbone interact. energy: -2.490 local terms energy: -475.425792 where: bonds (distance) C4'-P energy: -92.775 bonds (distance) P-C4' energy: -100.109 flat angles C4'-P-C4' energy: -100.696 flat angles P-C4'-P energy: -73.048 tors. eta vs tors. theta energy: -108.797 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: 10 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1214.821235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.821235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.821235 (E_RNA) where: Base-Base interactions energy: -783.470 where: short stacking energy: -383.430 Base-Backbone interact. energy: -0.427 local terms energy: -430.924637 where: bonds (distance) C4'-P energy: -91.403 bonds (distance) P-C4' energy: -83.819 flat angles C4'-P-C4' energy: -95.728 flat angles P-C4'-P energy: -55.346 tors. eta vs tors. theta energy: -104.629 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: 3 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1114.262721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.262721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.262721 (E_RNA) where: Base-Base interactions energy: -687.463 where: short stacking energy: -336.521 Base-Backbone interact. energy: 0.071 local terms energy: -426.871561 where: bonds (distance) C4'-P energy: -85.118 bonds (distance) P-C4' energy: -89.798 flat angles C4'-P-C4' energy: -100.350 flat angles P-C4'-P energy: -58.897 tors. eta vs tors. theta energy: -92.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -1119.880528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.880528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.880528 (E_RNA) where: Base-Base interactions energy: -723.702 where: short stacking energy: -339.505 Base-Backbone interact. energy: 2.207 local terms energy: -398.385064 where: bonds (distance) C4'-P energy: -68.274 bonds (distance) P-C4' energy: -95.063 flat angles C4'-P-C4' energy: -88.532 flat angles P-C4'-P energy: -55.638 tors. eta vs tors. theta energy: -90.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -1021.510361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.510361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.510361 (E_RNA) where: Base-Base interactions energy: -641.666 where: short stacking energy: -290.554 Base-Backbone interact. energy: -0.778 local terms energy: -379.066517 where: bonds (distance) C4'-P energy: -89.646 bonds (distance) P-C4' energy: -84.894 flat angles C4'-P-C4' energy: -80.740 flat angles P-C4'-P energy: -56.778 tors. eta vs tors. theta energy: -67.008 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: 194 Temperature: 1.200000 Total energy: -826.092991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.092991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.092991 (E_RNA) where: Base-Base interactions energy: -488.158 where: short stacking energy: -235.043 Base-Backbone interact. energy: -1.111 local terms energy: -336.824115 where: bonds (distance) C4'-P energy: -75.335 bonds (distance) P-C4' energy: -81.106 flat angles C4'-P-C4' energy: -90.791 flat angles P-C4'-P energy: -51.793 tors. eta vs tors. theta energy: -37.799 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: 1 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -722.526649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.526649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.526649 (E_RNA) where: Base-Base interactions energy: -416.552 where: short stacking energy: -216.830 Base-Backbone interact. energy: -2.249 local terms energy: -303.726135 where: bonds (distance) C4'-P energy: -70.773 bonds (distance) P-C4' energy: -83.560 flat angles C4'-P-C4' energy: -83.278 flat angles P-C4'-P energy: -44.440 tors. eta vs tors. theta energy: -21.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -662.427602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.427602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.427602 (E_RNA) where: Base-Base interactions energy: -374.741 where: short stacking energy: -184.804 Base-Backbone interact. energy: 4.871 local terms energy: -292.557469 where: bonds (distance) C4'-P energy: -83.072 bonds (distance) P-C4' energy: -76.082 flat angles C4'-P-C4' energy: -82.694 flat angles P-C4'-P energy: -39.706 tors. eta vs tors. theta energy: -11.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -453.495881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.495881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.495881 (E_RNA) where: Base-Base interactions energy: -191.964 where: short stacking energy: -124.748 Base-Backbone interact. energy: 6.566 local terms energy: -268.098285 where: bonds (distance) C4'-P energy: -83.274 bonds (distance) P-C4' energy: -74.085 flat angles C4'-P-C4' energy: -65.259 flat angles P-C4'-P energy: -43.895 tors. eta vs tors. theta energy: -1.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1506.721600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.721600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.721600 (E_RNA) where: Base-Base interactions energy: -1002.248 where: short stacking energy: -461.698 Base-Backbone interact. energy: -1.081 local terms energy: -503.392383 where: bonds (distance) C4'-P energy: -88.872 bonds (distance) P-C4' energy: -102.690 flat angles C4'-P-C4' energy: -97.714 flat angles P-C4'-P energy: -76.417 tors. eta vs tors. theta energy: -137.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1360.865893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.865893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.865893 (E_RNA) where: Base-Base interactions energy: -916.676 where: short stacking energy: -432.759 Base-Backbone interact. energy: 4.501 local terms energy: -448.691156 where: bonds (distance) C4'-P energy: -96.396 bonds (distance) P-C4' energy: -91.426 flat angles C4'-P-C4' energy: -104.150 flat angles P-C4'-P energy: -51.125 tors. eta vs tors. theta energy: -105.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1232.089843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.089843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.089843 (E_RNA) where: Base-Base interactions energy: -779.442 where: short stacking energy: -378.578 Base-Backbone interact. energy: -1.046 local terms energy: -451.601494 where: bonds (distance) C4'-P energy: -94.450 bonds (distance) P-C4' energy: -90.366 flat angles C4'-P-C4' energy: -102.517 flat angles P-C4'-P energy: -59.638 tors. eta vs tors. theta energy: -104.631 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: 2 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1199.557487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.557487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.557487 (E_RNA) where: Base-Base interactions energy: -750.574 where: short stacking energy: -317.033 Base-Backbone interact. energy: -2.628 local terms energy: -446.355456 where: bonds (distance) C4'-P energy: -88.610 bonds (distance) P-C4' energy: -93.226 flat angles C4'-P-C4' energy: -108.289 flat angles P-C4'-P energy: -61.585 tors. eta vs tors. theta energy: -94.644 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: 3 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1089.884667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.884667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.884667 (E_RNA) where: Base-Base interactions energy: -678.388 where: short stacking energy: -329.104 Base-Backbone interact. energy: -2.777 local terms energy: -408.718937 where: bonds (distance) C4'-P energy: -86.634 bonds (distance) P-C4' energy: -94.195 flat angles C4'-P-C4' energy: -79.982 flat angles P-C4'-P energy: -69.320 tors. eta vs tors. theta energy: -78.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1018.884997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.884997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.884997 (E_RNA) where: Base-Base interactions energy: -616.165 where: short stacking energy: -281.113 Base-Backbone interact. energy: 3.708 local terms energy: -406.428439 where: bonds (distance) C4'-P energy: -83.621 bonds (distance) P-C4' energy: -93.762 flat angles C4'-P-C4' energy: -97.322 flat angles P-C4'-P energy: -58.842 tors. eta vs tors. theta energy: -72.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -849.884987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.884987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.884987 (E_RNA) where: Base-Base interactions energy: -504.265 where: short stacking energy: -267.190 Base-Backbone interact. energy: -2.297 local terms energy: -343.323435 where: bonds (distance) C4'-P energy: -79.597 bonds (distance) P-C4' energy: -86.974 flat angles C4'-P-C4' energy: -80.488 flat angles P-C4'-P energy: -49.077 tors. eta vs tors. theta energy: -47.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -758.062623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.062623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.062623 (E_RNA) where: Base-Base interactions energy: -449.633 where: short stacking energy: -205.270 Base-Backbone interact. energy: 2.719 local terms energy: -311.148124 where: bonds (distance) C4'-P energy: -81.692 bonds (distance) P-C4' energy: -83.720 flat angles C4'-P-C4' energy: -80.025 flat angles P-C4'-P energy: -43.743 tors. eta vs tors. theta energy: -21.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -637.129571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.129571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.129571 (E_RNA) where: Base-Base interactions energy: -345.535 where: short stacking energy: -164.672 Base-Backbone interact. energy: -1.728 local terms energy: -289.865784 where: bonds (distance) C4'-P energy: -64.859 bonds (distance) P-C4' energy: -87.487 flat angles C4'-P-C4' energy: -81.729 flat angles P-C4'-P energy: -36.846 tors. eta vs tors. theta energy: -18.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -505.867383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.867383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.867383 (E_RNA) where: Base-Base interactions energy: -244.877 where: short stacking energy: -139.196 Base-Backbone interact. energy: -2.137 local terms energy: -258.852949 where: bonds (distance) C4'-P energy: -61.892 bonds (distance) P-C4' energy: -95.505 flat angles C4'-P-C4' energy: -78.610 flat angles P-C4'-P energy: -37.796 tors. eta vs tors. theta energy: 14.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1511.285930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.285930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.285930 (E_RNA) where: Base-Base interactions energy: -1006.743 where: short stacking energy: -483.868 Base-Backbone interact. energy: -1.861 local terms energy: -502.681809 where: bonds (distance) C4'-P energy: -90.846 bonds (distance) P-C4' energy: -97.557 flat angles C4'-P-C4' energy: -104.216 flat angles P-C4'-P energy: -66.824 tors. eta vs tors. theta energy: -143.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1365.166933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.166933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.166933 (E_RNA) where: Base-Base interactions energy: -896.549 where: short stacking energy: -410.697 Base-Backbone interact. energy: -2.325 local terms energy: -466.293255 where: bonds (distance) C4'-P energy: -89.915 bonds (distance) P-C4' energy: -95.051 flat angles C4'-P-C4' energy: -107.196 flat angles P-C4'-P energy: -69.729 tors. eta vs tors. theta energy: -104.402 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: 10 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1256.991769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.991769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.991769 (E_RNA) where: Base-Base interactions energy: -806.733 where: short stacking energy: -382.864 Base-Backbone interact. energy: -2.189 local terms energy: -448.069665 where: bonds (distance) C4'-P energy: -90.072 bonds (distance) P-C4' energy: -88.302 flat angles C4'-P-C4' energy: -108.730 flat angles P-C4'-P energy: -62.751 tors. eta vs tors. theta energy: -98.214 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: 2 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1199.658819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.658819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.658819 (E_RNA) where: Base-Base interactions energy: -770.763 where: short stacking energy: -361.401 Base-Backbone interact. energy: -2.328 local terms energy: -426.567876 where: bonds (distance) C4'-P energy: -94.142 bonds (distance) P-C4' energy: -100.037 flat angles C4'-P-C4' energy: -79.849 flat angles P-C4'-P energy: -57.809 tors. eta vs tors. theta energy: -94.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -1079.376733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.376733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.376733 (E_RNA) where: Base-Base interactions energy: -677.021 where: short stacking energy: -316.475 Base-Backbone interact. energy: 3.547 local terms energy: -405.902248 where: bonds (distance) C4'-P energy: -89.847 bonds (distance) P-C4' energy: -86.617 flat angles C4'-P-C4' energy: -91.222 flat angles P-C4'-P energy: -63.324 tors. eta vs tors. theta energy: -74.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1058.494302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.494302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.494302 (E_RNA) where: Base-Base interactions energy: -672.361 where: short stacking energy: -295.058 Base-Backbone interact. energy: 0.187 local terms energy: -386.319765 where: bonds (distance) C4'-P energy: -84.766 bonds (distance) P-C4' energy: -85.786 flat angles C4'-P-C4' energy: -85.130 flat angles P-C4'-P energy: -56.594 tors. eta vs tors. theta energy: -74.044 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: 4 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -880.922585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.922585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.922585 (E_RNA) where: Base-Base interactions energy: -521.830 where: short stacking energy: -244.800 Base-Backbone interact. energy: -0.763 local terms energy: -358.329608 where: bonds (distance) C4'-P energy: -82.669 bonds (distance) P-C4' energy: -83.759 flat angles C4'-P-C4' energy: -83.552 flat angles P-C4'-P energy: -52.628 tors. eta vs tors. theta energy: -55.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -728.530871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.530871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.530871 (E_RNA) where: Base-Base interactions energy: -414.325 where: short stacking energy: -209.159 Base-Backbone interact. energy: 0.621 local terms energy: -314.826922 where: bonds (distance) C4'-P energy: -90.808 bonds (distance) P-C4' energy: -73.312 flat angles C4'-P-C4' energy: -83.368 flat angles P-C4'-P energy: -43.397 tors. eta vs tors. theta energy: -23.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -654.245364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.245364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.245364 (E_RNA) where: Base-Base interactions energy: -363.657 where: short stacking energy: -181.984 Base-Backbone interact. energy: -1.852 local terms energy: -288.735736 where: bonds (distance) C4'-P energy: -69.418 bonds (distance) P-C4' energy: -80.926 flat angles C4'-P-C4' energy: -74.610 flat angles P-C4'-P energy: -36.824 tors. eta vs tors. theta energy: -26.957 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: 8 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -523.669311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.669311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.669311 (E_RNA) where: Base-Base interactions energy: -272.392 where: short stacking energy: -131.416 Base-Backbone interact. energy: -1.562 local terms energy: -249.715524 where: bonds (distance) C4'-P energy: -83.988 bonds (distance) P-C4' energy: -82.982 flat angles C4'-P-C4' energy: -56.225 flat angles P-C4'-P energy: -37.446 tors. eta vs tors. theta energy: 10.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1529.449050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.449050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.449050 (E_RNA) where: Base-Base interactions energy: -1017.209 where: short stacking energy: -490.245 Base-Backbone interact. energy: 0.133 local terms energy: -512.372717 where: bonds (distance) C4'-P energy: -81.556 bonds (distance) P-C4' energy: -95.743 flat angles C4'-P-C4' energy: -105.595 flat angles P-C4'-P energy: -80.452 tors. eta vs tors. theta energy: -149.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1370.467244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.467244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.467244 (E_RNA) where: Base-Base interactions energy: -893.104 where: short stacking energy: -425.563 Base-Backbone interact. energy: -3.268 local terms energy: -474.095269 where: bonds (distance) C4'-P energy: -95.258 bonds (distance) P-C4' energy: -83.233 flat angles C4'-P-C4' energy: -111.838 flat angles P-C4'-P energy: -62.357 tors. eta vs tors. theta energy: -121.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1262.029162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.029162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.029162 (E_RNA) where: Base-Base interactions energy: -806.721 where: short stacking energy: -401.193 Base-Backbone interact. energy: -3.284 local terms energy: -452.024210 where: bonds (distance) C4'-P energy: -92.175 bonds (distance) P-C4' energy: -84.078 flat angles C4'-P-C4' energy: -99.272 flat angles P-C4'-P energy: -65.080 tors. eta vs tors. theta energy: -111.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1177.699449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.699449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.699449 (E_RNA) where: Base-Base interactions energy: -762.366 where: short stacking energy: -345.417 Base-Backbone interact. energy: -0.685 local terms energy: -414.648678 where: bonds (distance) C4'-P energy: -84.065 bonds (distance) P-C4' energy: -81.051 flat angles C4'-P-C4' energy: -90.913 flat angles P-C4'-P energy: -69.765 tors. eta vs tors. theta energy: -88.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1127.977026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.977026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.977026 (E_RNA) where: Base-Base interactions energy: -729.314 where: short stacking energy: -335.791 Base-Backbone interact. energy: -2.587 local terms energy: -396.075639 where: bonds (distance) C4'-P energy: -80.582 bonds (distance) P-C4' energy: -81.502 flat angles C4'-P-C4' energy: -93.693 flat angles P-C4'-P energy: -61.712 tors. eta vs tors. theta energy: -78.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1020.915689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.915689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.915689 (E_RNA) where: Base-Base interactions energy: -622.381 where: short stacking energy: -282.895 Base-Backbone interact. energy: -2.565 local terms energy: -395.969641 where: bonds (distance) C4'-P energy: -87.815 bonds (distance) P-C4' energy: -89.577 flat angles C4'-P-C4' energy: -88.195 flat angles P-C4'-P energy: -60.397 tors. eta vs tors. theta energy: -69.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -891.915682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.915682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.915682 (E_RNA) where: Base-Base interactions energy: -542.538 where: short stacking energy: -272.104 Base-Backbone interact. energy: -1.454 local terms energy: -347.923207 where: bonds (distance) C4'-P energy: -71.357 bonds (distance) P-C4' energy: -88.916 flat angles C4'-P-C4' energy: -87.689 flat angles P-C4'-P energy: -45.134 tors. eta vs tors. theta energy: -54.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -681.951963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.951963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.951963 (E_RNA) where: Base-Base interactions energy: -390.539 where: short stacking energy: -206.518 Base-Backbone interact. energy: 2.319 local terms energy: -293.731978 where: bonds (distance) C4'-P energy: -72.028 bonds (distance) P-C4' energy: -76.161 flat angles C4'-P-C4' energy: -81.646 flat angles P-C4'-P energy: -33.369 tors. eta vs tors. theta energy: -30.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -665.298302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.298302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.298302 (E_RNA) where: Base-Base interactions energy: -373.230 where: short stacking energy: -179.422 Base-Backbone interact. energy: 0.293 local terms energy: -292.361056 where: bonds (distance) C4'-P energy: -85.670 bonds (distance) P-C4' energy: -78.669 flat angles C4'-P-C4' energy: -71.130 flat angles P-C4'-P energy: -42.468 tors. eta vs tors. theta energy: -14.426 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: 8 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -479.242307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.242307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.242307 (E_RNA) where: Base-Base interactions energy: -209.258 where: short stacking energy: -115.562 Base-Backbone interact. energy: -1.965 local terms energy: -268.019188 where: bonds (distance) C4'-P energy: -77.826 bonds (distance) P-C4' energy: -79.443 flat angles C4'-P-C4' energy: -84.913 flat angles P-C4'-P energy: -39.776 tors. eta vs tors. theta energy: 13.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1509.983278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.983278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.983278 (E_RNA) where: Base-Base interactions energy: -990.957 where: short stacking energy: -469.905 Base-Backbone interact. energy: -0.642 local terms energy: -518.384470 where: bonds (distance) C4'-P energy: -100.785 bonds (distance) P-C4' energy: -85.418 flat angles C4'-P-C4' energy: -103.264 flat angles P-C4'-P energy: -85.424 tors. eta vs tors. theta energy: -143.494 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: 9 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -1392.658648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.658648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.658648 (E_RNA) where: Base-Base interactions energy: -913.852 where: short stacking energy: -416.692 Base-Backbone interact. energy: -2.677 local terms energy: -476.129443 where: bonds (distance) C4'-P energy: -96.415 bonds (distance) P-C4' energy: -99.491 flat angles C4'-P-C4' energy: -100.118 flat angles P-C4'-P energy: -64.165 tors. eta vs tors. theta energy: -115.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1230.613968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.613968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.613968 (E_RNA) where: Base-Base interactions energy: -791.082 where: short stacking energy: -382.068 Base-Backbone interact. energy: -3.489 local terms energy: -436.043449 where: bonds (distance) C4'-P energy: -92.698 bonds (distance) P-C4' energy: -77.796 flat angles C4'-P-C4' energy: -91.952 flat angles P-C4'-P energy: -73.532 tors. eta vs tors. theta energy: -100.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1231.095892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.095892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.095892 (E_RNA) where: Base-Base interactions energy: -826.655 where: short stacking energy: -379.100 Base-Backbone interact. energy: -2.549 local terms energy: -401.892027 where: bonds (distance) C4'-P energy: -83.697 bonds (distance) P-C4' energy: -72.794 flat angles C4'-P-C4' energy: -85.978 flat angles P-C4'-P energy: -50.229 tors. eta vs tors. theta energy: -109.194 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: 3 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -1095.142623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.142623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.142623 (E_RNA) where: Base-Base interactions energy: -704.739 where: short stacking energy: -332.216 Base-Backbone interact. energy: 0.116 local terms energy: -390.520189 where: bonds (distance) C4'-P energy: -80.001 bonds (distance) P-C4' energy: -80.175 flat angles C4'-P-C4' energy: -99.670 flat angles P-C4'-P energy: -51.288 tors. eta vs tors. theta energy: -79.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -990.336525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.336525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.336525 (E_RNA) where: Base-Base interactions energy: -598.451 where: short stacking energy: -308.558 Base-Backbone interact. energy: -1.998 local terms energy: -389.887918 where: bonds (distance) C4'-P energy: -76.517 bonds (distance) P-C4' energy: -81.507 flat angles C4'-P-C4' energy: -91.702 flat angles P-C4'-P energy: -68.298 tors. eta vs tors. theta energy: -71.864 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: 4 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -907.879723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.879723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.879723 (E_RNA) where: Base-Base interactions energy: -569.281 where: short stacking energy: -268.916 Base-Backbone interact. energy: 2.032 local terms energy: -340.631101 where: bonds (distance) C4'-P energy: -83.735 bonds (distance) P-C4' energy: -76.780 flat angles C4'-P-C4' energy: -76.864 flat angles P-C4'-P energy: -52.231 tors. eta vs tors. theta energy: -51.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -714.867222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.867222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.867222 (E_RNA) where: Base-Base interactions energy: -412.174 where: short stacking energy: -181.219 Base-Backbone interact. energy: -2.932 local terms energy: -299.761732 where: bonds (distance) C4'-P energy: -74.707 bonds (distance) P-C4' energy: -75.201 flat angles C4'-P-C4' energy: -85.671 flat angles P-C4'-P energy: -51.749 tors. eta vs tors. theta energy: -12.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -639.364287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.364287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.364287 (E_RNA) where: Base-Base interactions energy: -369.221 where: short stacking energy: -185.616 Base-Backbone interact. energy: -1.610 local terms energy: -268.532739 where: bonds (distance) C4'-P energy: -81.489 bonds (distance) P-C4' energy: -81.789 flat angles C4'-P-C4' energy: -67.093 flat angles P-C4'-P energy: -29.280 tors. eta vs tors. theta energy: -8.882 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: 10, replica: 8 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -498.176922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.176922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.176922 (E_RNA) where: Base-Base interactions energy: -215.223 where: short stacking energy: -121.592 Base-Backbone interact. energy: -1.015 local terms energy: -281.938546 where: bonds (distance) C4'-P energy: -74.816 bonds (distance) P-C4' energy: -87.698 flat angles C4'-P-C4' energy: -82.309 flat angles P-C4'-P energy: -46.716 tors. eta vs tors. theta energy: 9.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1517.406337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.406337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.406337 (E_RNA) where: Base-Base interactions energy: -998.632 where: short stacking energy: -468.785 Base-Backbone interact. energy: 0.012 local terms energy: -518.785857 where: bonds (distance) C4'-P energy: -100.862 bonds (distance) P-C4' energy: -95.809 flat angles C4'-P-C4' energy: -108.173 flat angles P-C4'-P energy: -67.174 tors. eta vs tors. theta energy: -146.768 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: 9 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1411.386571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.386571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.386571 (E_RNA) where: Base-Base interactions energy: -939.016 where: short stacking energy: -410.037 Base-Backbone interact. energy: -3.366 local terms energy: -469.004299 where: bonds (distance) C4'-P energy: -96.135 bonds (distance) P-C4' energy: -95.406 flat angles C4'-P-C4' energy: -98.474 flat angles P-C4'-P energy: -62.414 tors. eta vs tors. theta energy: -116.575 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: 10 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1236.368861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.368861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.368861 (E_RNA) where: Base-Base interactions energy: -815.079 where: short stacking energy: -369.474 Base-Backbone interact. energy: -1.153 local terms energy: -420.136993 where: bonds (distance) C4'-P energy: -83.107 bonds (distance) P-C4' energy: -94.179 flat angles C4'-P-C4' energy: -89.111 flat angles P-C4'-P energy: -56.813 tors. eta vs tors. theta energy: -96.927 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: 199 Temperature: 1.050000 Total energy: -1264.784214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.784214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.784214 (E_RNA) where: Base-Base interactions energy: -826.456 where: short stacking energy: -377.201 Base-Backbone interact. energy: -1.438 local terms energy: -436.889505 where: bonds (distance) C4'-P energy: -83.409 bonds (distance) P-C4' energy: -95.665 flat angles C4'-P-C4' energy: -94.688 flat angles P-C4'-P energy: -56.591 tors. eta vs tors. theta energy: -106.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -1085.288823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.288823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.288823 (E_RNA) where: Base-Base interactions energy: -699.604 where: short stacking energy: -325.854 Base-Backbone interact. energy: -0.079 local terms energy: -385.605771 where: bonds (distance) C4'-P energy: -77.999 bonds (distance) P-C4' energy: -80.628 flat angles C4'-P-C4' energy: -102.261 flat angles P-C4'-P energy: -60.703 tors. eta vs tors. theta energy: -64.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -988.027129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.027129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.027129 (E_RNA) where: Base-Base interactions energy: -610.278 where: short stacking energy: -267.666 Base-Backbone interact. energy: 2.679 local terms energy: -380.428540 where: bonds (distance) C4'-P energy: -84.044 bonds (distance) P-C4' energy: -78.102 flat angles C4'-P-C4' energy: -96.108 flat angles P-C4'-P energy: -53.841 tors. eta vs tors. theta energy: -68.333 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: 4 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -892.313505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.313505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.313505 (E_RNA) where: Base-Base interactions energy: -527.918 where: short stacking energy: -244.197 Base-Backbone interact. energy: -1.165 local terms energy: -363.231256 where: bonds (distance) C4'-P energy: -89.324 bonds (distance) P-C4' energy: -71.884 flat angles C4'-P-C4' energy: -94.308 flat angles P-C4'-P energy: -61.567 tors. eta vs tors. theta energy: -46.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -660.771259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.771259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.771259 (E_RNA) where: Base-Base interactions energy: -372.493 where: short stacking energy: -214.534 Base-Backbone interact. energy: -0.807 local terms energy: -287.471925 where: bonds (distance) C4'-P energy: -70.807 bonds (distance) P-C4' energy: -60.477 flat angles C4'-P-C4' energy: -82.418 flat angles P-C4'-P energy: -54.775 tors. eta vs tors. theta energy: -18.996 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: 1 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -629.955946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.955946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.955946 (E_RNA) where: Base-Base interactions energy: -348.994 where: short stacking energy: -200.913 Base-Backbone interact. energy: 1.491 local terms energy: -282.453220 where: bonds (distance) C4'-P energy: -78.931 bonds (distance) P-C4' energy: -75.885 flat angles C4'-P-C4' energy: -74.450 flat angles P-C4'-P energy: -49.361 tors. eta vs tors. theta energy: -3.826 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: 8 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -517.426010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.426010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.426010 (E_RNA) where: Base-Base interactions energy: -254.944 where: short stacking energy: -134.453 Base-Backbone interact. energy: -2.214 local terms energy: -260.268276 where: bonds (distance) C4'-P energy: -77.879 bonds (distance) P-C4' energy: -67.749 flat angles C4'-P-C4' energy: -71.596 flat angles P-C4'-P energy: -48.036 tors. eta vs tors. theta energy: 4.991 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: 1, replica: 5 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1516.076899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.076899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.076899 (E_RNA) where: Base-Base interactions energy: -1000.163 where: short stacking energy: -492.747 Base-Backbone interact. energy: -2.576 local terms energy: -513.338350 where: bonds (distance) C4'-P energy: -95.794 bonds (distance) P-C4' energy: -86.549 flat angles C4'-P-C4' energy: -109.448 flat angles P-C4'-P energy: -79.496 tors. eta vs tors. theta energy: -142.051 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: 9 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1385.554673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.554673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.554673 (E_RNA) where: Base-Base interactions energy: -909.738 where: short stacking energy: -407.406 Base-Backbone interact. energy: -4.655 local terms energy: -471.161177 where: bonds (distance) C4'-P energy: -83.208 bonds (distance) P-C4' energy: -107.446 flat angles C4'-P-C4' energy: -101.517 flat angles P-C4'-P energy: -70.993 tors. eta vs tors. theta energy: -107.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1297.577489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.577489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.577489 (E_RNA) where: Base-Base interactions energy: -848.040 where: short stacking energy: -405.042 Base-Backbone interact. energy: -0.309 local terms energy: -449.228897 where: bonds (distance) C4'-P energy: -81.877 bonds (distance) P-C4' energy: -86.112 flat angles C4'-P-C4' energy: -106.728 flat angles P-C4'-P energy: -57.435 tors. eta vs tors. theta energy: -117.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1208.322321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.322321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.322321 (E_RNA) where: Base-Base interactions energy: -756.623 where: short stacking energy: -364.264 Base-Backbone interact. energy: 1.619 local terms energy: -453.318235 where: bonds (distance) C4'-P energy: -89.295 bonds (distance) P-C4' energy: -92.539 flat angles C4'-P-C4' energy: -109.632 flat angles P-C4'-P energy: -67.978 tors. eta vs tors. theta energy: -93.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1127.438657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.438657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.438657 (E_RNA) where: Base-Base interactions energy: -709.055 where: short stacking energy: -355.631 Base-Backbone interact. energy: 2.614 local terms energy: -420.996966 where: bonds (distance) C4'-P energy: -91.011 bonds (distance) P-C4' energy: -85.772 flat angles C4'-P-C4' energy: -77.627 flat angles P-C4'-P energy: -71.376 tors. eta vs tors. theta energy: -95.211 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: 6 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -924.262474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.262474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.262474 (E_RNA) where: Base-Base interactions energy: -561.718 where: short stacking energy: -258.127 Base-Backbone interact. energy: 0.349 local terms energy: -362.893709 where: bonds (distance) C4'-P energy: -78.111 bonds (distance) P-C4' energy: -81.421 flat angles C4'-P-C4' energy: -86.079 flat angles P-C4'-P energy: -51.644 tors. eta vs tors. theta energy: -65.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -884.224859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.224859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.224859 (E_RNA) where: Base-Base interactions energy: -542.555 where: short stacking energy: -257.088 Base-Backbone interact. energy: -2.198 local terms energy: -339.471096 where: bonds (distance) C4'-P energy: -77.553 bonds (distance) P-C4' energy: -88.615 flat angles C4'-P-C4' energy: -76.819 flat angles P-C4'-P energy: -55.899 tors. eta vs tors. theta energy: -40.586 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: 7 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -674.460618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.460618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.460618 (E_RNA) where: Base-Base interactions energy: -392.829 where: short stacking energy: -209.219 Base-Backbone interact. energy: 2.683 local terms energy: -284.313799 where: bonds (distance) C4'-P energy: -68.275 bonds (distance) P-C4' energy: -98.106 flat angles C4'-P-C4' energy: -77.437 flat angles P-C4'-P energy: -33.844 tors. eta vs tors. theta energy: -6.651 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: 1 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -607.385966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.385966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.385966 (E_RNA) where: Base-Base interactions energy: -307.831 where: short stacking energy: -172.027 Base-Backbone interact. energy: 0.482 local terms energy: -300.036705 where: bonds (distance) C4'-P energy: -75.001 bonds (distance) P-C4' energy: -91.226 flat angles C4'-P-C4' energy: -65.310 flat angles P-C4'-P energy: -50.198 tors. eta vs tors. theta energy: -18.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -491.765611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.765611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.765611 (E_RNA) where: Base-Base interactions energy: -221.735 where: short stacking energy: -129.944 Base-Backbone interact. energy: -0.244 local terms energy: -269.786534 where: bonds (distance) C4'-P energy: -73.558 bonds (distance) P-C4' energy: -75.434 flat angles C4'-P-C4' energy: -76.811 flat angles P-C4'-P energy: -46.702 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: 5 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1522.953919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.953919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.953919 (E_RNA) where: Base-Base interactions energy: -1016.461 where: short stacking energy: -502.606 Base-Backbone interact. energy: -2.848 local terms energy: -503.644051 where: bonds (distance) C4'-P energy: -85.104 bonds (distance) P-C4' energy: -95.325 flat angles C4'-P-C4' energy: -108.403 flat angles P-C4'-P energy: -64.930 tors. eta vs tors. theta energy: -149.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1363.070491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.070491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.070491 (E_RNA) where: Base-Base interactions energy: -893.276 where: short stacking energy: -426.031 Base-Backbone interact. energy: -0.580 local terms energy: -469.215117 where: bonds (distance) C4'-P energy: -100.230 bonds (distance) P-C4' energy: -84.284 flat angles C4'-P-C4' energy: -109.564 flat angles P-C4'-P energy: -65.936 tors. eta vs tors. theta energy: -109.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1283.155280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.155280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.155280 (E_RNA) where: Base-Base interactions energy: -839.056 where: short stacking energy: -411.370 Base-Backbone interact. energy: 1.106 local terms energy: -445.205247 where: bonds (distance) C4'-P energy: -82.658 bonds (distance) P-C4' energy: -91.394 flat angles C4'-P-C4' energy: -107.189 flat angles P-C4'-P energy: -60.242 tors. eta vs tors. theta energy: -103.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1174.821310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.821310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.821310 (E_RNA) where: Base-Base interactions energy: -755.170 where: short stacking energy: -344.162 Base-Backbone interact. energy: 2.000 local terms energy: -421.651857 where: bonds (distance) C4'-P energy: -92.049 bonds (distance) P-C4' energy: -84.025 flat angles C4'-P-C4' energy: -91.486 flat angles P-C4'-P energy: -63.146 tors. eta vs tors. theta energy: -90.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1120.496821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.496821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.496821 (E_RNA) where: Base-Base interactions energy: -716.203 where: short stacking energy: -325.561 Base-Backbone interact. energy: -1.311 local terms energy: -402.982497 where: bonds (distance) C4'-P energy: -100.335 bonds (distance) P-C4' energy: -79.373 flat angles C4'-P-C4' energy: -96.451 flat angles P-C4'-P energy: -50.953 tors. eta vs tors. theta energy: -75.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1011.756545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.756545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.756545 (E_RNA) where: Base-Base interactions energy: -615.645 where: short stacking energy: -288.441 Base-Backbone interact. energy: 0.605 local terms energy: -396.716219 where: bonds (distance) C4'-P energy: -85.278 bonds (distance) P-C4' energy: -89.054 flat angles C4'-P-C4' energy: -94.452 flat angles P-C4'-P energy: -64.032 tors. eta vs tors. theta energy: -63.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -872.878529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.878529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.878529 (E_RNA) where: Base-Base interactions energy: -523.191 where: short stacking energy: -245.636 Base-Backbone interact. energy: -1.796 local terms energy: -347.890814 where: bonds (distance) C4'-P energy: -75.494 bonds (distance) P-C4' energy: -84.596 flat angles C4'-P-C4' energy: -96.151 flat angles P-C4'-P energy: -47.146 tors. eta vs tors. theta energy: -44.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -695.642457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.642457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.642457 (E_RNA) where: Base-Base interactions energy: -381.162 where: short stacking energy: -206.498 Base-Backbone interact. energy: 0.498 local terms energy: -314.979215 where: bonds (distance) C4'-P energy: -88.618 bonds (distance) P-C4' energy: -91.981 flat angles C4'-P-C4' energy: -71.599 flat angles P-C4'-P energy: -45.432 tors. eta vs tors. theta energy: -17.350 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: 9, replica: 1 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -602.552645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.552645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.552645 (E_RNA) where: Base-Base interactions energy: -325.458 where: short stacking energy: -174.414 Base-Backbone interact. energy: 0.465 local terms energy: -277.559802 where: bonds (distance) C4'-P energy: -63.861 bonds (distance) P-C4' energy: -76.083 flat angles C4'-P-C4' energy: -81.463 flat angles P-C4'-P energy: -54.219 tors. eta vs tors. theta energy: -1.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -492.928284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.928284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.928284 (E_RNA) where: Base-Base interactions energy: -203.302 where: short stacking energy: -129.911 Base-Backbone interact. energy: -0.196 local terms energy: -289.430397 where: bonds (distance) C4'-P energy: -82.156 bonds (distance) P-C4' energy: -91.745 flat angles C4'-P-C4' energy: -80.170 flat angles P-C4'-P energy: -33.399 tors. eta vs tors. theta energy: -1.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1529.442031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.442031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.442031 (E_RNA) where: Base-Base interactions energy: -1014.945 where: short stacking energy: -477.482 Base-Backbone interact. energy: -1.625 local terms energy: -512.871794 where: bonds (distance) C4'-P energy: -91.982 bonds (distance) P-C4' energy: -99.119 flat angles C4'-P-C4' energy: -107.366 flat angles P-C4'-P energy: -71.686 tors. eta vs tors. theta energy: -142.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1371.089995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.089995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.089995 (E_RNA) where: Base-Base interactions energy: -879.969 where: short stacking energy: -431.069 Base-Backbone interact. energy: 0.174 local terms energy: -491.295309 where: bonds (distance) C4'-P energy: -97.815 bonds (distance) P-C4' energy: -108.985 flat angles C4'-P-C4' energy: -86.308 flat angles P-C4'-P energy: -72.820 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: 3, replica: 2 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1268.457886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.457886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.457886 (E_RNA) where: Base-Base interactions energy: -815.596 where: short stacking energy: -372.105 Base-Backbone interact. energy: -0.564 local terms energy: -452.297532 where: bonds (distance) C4'-P energy: -97.223 bonds (distance) P-C4' energy: -84.838 flat angles C4'-P-C4' energy: -103.054 flat angles P-C4'-P energy: -64.927 tors. eta vs tors. theta energy: -102.256 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: 4, replica: 10 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1196.142809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.142809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.142809 (E_RNA) where: Base-Base interactions energy: -785.604 where: short stacking energy: -349.312 Base-Backbone interact. energy: -0.880 local terms energy: -409.658709 where: bonds (distance) C4'-P energy: -79.699 bonds (distance) P-C4' energy: -94.357 flat angles C4'-P-C4' energy: -101.688 flat angles P-C4'-P energy: -52.837 tors. eta vs tors. theta energy: -81.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -1147.076560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.076560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.076560 (E_RNA) where: Base-Base interactions energy: -725.067 where: short stacking energy: -342.677 Base-Backbone interact. energy: -0.412 local terms energy: -421.597823 where: bonds (distance) C4'-P energy: -86.618 bonds (distance) P-C4' energy: -87.800 flat angles C4'-P-C4' energy: -106.340 flat angles P-C4'-P energy: -63.252 tors. eta vs tors. theta energy: -77.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -947.942564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.942564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.942564 (E_RNA) where: Base-Base interactions energy: -579.043 where: short stacking energy: -262.359 Base-Backbone interact. energy: -1.085 local terms energy: -367.814850 where: bonds (distance) C4'-P energy: -93.360 bonds (distance) P-C4' energy: -82.293 flat angles C4'-P-C4' energy: -91.532 flat angles P-C4'-P energy: -44.191 tors. eta vs tors. theta energy: -56.438 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: 4 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -836.539090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.539090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.539090 (E_RNA) where: Base-Base interactions energy: -502.301 where: short stacking energy: -226.128 Base-Backbone interact. energy: -3.261 local terms energy: -330.977832 where: bonds (distance) C4'-P energy: -88.210 bonds (distance) P-C4' energy: -84.984 flat angles C4'-P-C4' energy: -78.538 flat angles P-C4'-P energy: -56.034 tors. eta vs tors. theta energy: -23.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -677.059123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.059123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.059123 (E_RNA) where: Base-Base interactions energy: -356.757 where: short stacking energy: -198.672 Base-Backbone interact. energy: 0.745 local terms energy: -321.046466 where: bonds (distance) C4'-P energy: -75.902 bonds (distance) P-C4' energy: -91.481 flat angles C4'-P-C4' energy: -79.760 flat angles P-C4'-P energy: -49.016 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: 8 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -592.481977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.481977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.481977 (E_RNA) where: Base-Base interactions energy: -298.951 where: short stacking energy: -153.751 Base-Backbone interact. energy: 2.254 local terms energy: -295.785607 where: bonds (distance) C4'-P energy: -74.315 bonds (distance) P-C4' energy: -74.052 flat angles C4'-P-C4' energy: -94.971 flat angles P-C4'-P energy: -44.031 tors. eta vs tors. theta energy: -8.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -570.973716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.973716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.973716 (E_RNA) where: Base-Base interactions energy: -315.507 where: short stacking energy: -152.115 Base-Backbone interact. energy: 1.035 local terms energy: -256.501264 where: bonds (distance) C4'-P energy: -78.774 bonds (distance) P-C4' energy: -63.148 flat angles C4'-P-C4' energy: -60.928 flat angles P-C4'-P energy: -50.521 tors. eta vs tors. theta energy: -3.130 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: 1, replica: 5 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1518.738750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.738750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.738750 (E_RNA) where: Base-Base interactions energy: -1002.682 where: short stacking energy: -476.329 Base-Backbone interact. energy: -1.187 local terms energy: -514.870583 where: bonds (distance) C4'-P energy: -83.994 bonds (distance) P-C4' energy: -82.766 flat angles C4'-P-C4' energy: -119.036 flat angles P-C4'-P energy: -83.878 tors. eta vs tors. theta energy: -145.196 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: 9 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1376.030236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.030236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.030236 (E_RNA) where: Base-Base interactions energy: -903.348 where: short stacking energy: -429.229 Base-Backbone interact. energy: -2.292 local terms energy: -470.390994 where: bonds (distance) C4'-P energy: -87.896 bonds (distance) P-C4' energy: -97.071 flat angles C4'-P-C4' energy: -100.680 flat angles P-C4'-P energy: -68.285 tors. eta vs tors. theta energy: -116.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1277.196509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.196509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.196509 (E_RNA) where: Base-Base interactions energy: -832.319 where: short stacking energy: -376.092 Base-Backbone interact. energy: 0.310 local terms energy: -445.187462 where: bonds (distance) C4'-P energy: -88.123 bonds (distance) P-C4' energy: -92.362 flat angles C4'-P-C4' energy: -92.475 flat angles P-C4'-P energy: -59.652 tors. eta vs tors. theta energy: -112.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -1183.313497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.313497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.313497 (E_RNA) where: Base-Base interactions energy: -782.805 where: short stacking energy: -356.744 Base-Backbone interact. energy: -0.751 local terms energy: -399.756839 where: bonds (distance) C4'-P energy: -81.257 bonds (distance) P-C4' energy: -74.009 flat angles C4'-P-C4' energy: -103.977 flat angles P-C4'-P energy: -59.463 tors. eta vs tors. theta energy: -81.050 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: 3 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -1116.952635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.952635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.952635 (E_RNA) where: Base-Base interactions energy: -717.975 where: short stacking energy: -360.966 Base-Backbone interact. energy: 0.417 local terms energy: -399.394429 where: bonds (distance) C4'-P energy: -83.176 bonds (distance) P-C4' energy: -86.289 flat angles C4'-P-C4' energy: -92.355 flat angles P-C4'-P energy: -51.623 tors. eta vs tors. theta energy: -85.952 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: 6 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1001.233803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.233803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.233803 (E_RNA) where: Base-Base interactions energy: -642.230 where: short stacking energy: -319.514 Base-Backbone interact. energy: 1.777 local terms energy: -360.780866 where: bonds (distance) C4'-P energy: -71.104 bonds (distance) P-C4' energy: -81.116 flat angles C4'-P-C4' energy: -82.692 flat angles P-C4'-P energy: -48.100 tors. eta vs tors. theta energy: -77.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -869.674494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.674494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.674494 (E_RNA) where: Base-Base interactions energy: -555.285 where: short stacking energy: -250.721 Base-Backbone interact. energy: -2.138 local terms energy: -312.251134 where: bonds (distance) C4'-P energy: -86.199 bonds (distance) P-C4' energy: -73.833 flat angles C4'-P-C4' energy: -70.446 flat angles P-C4'-P energy: -37.178 tors. eta vs tors. theta energy: -44.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -702.840485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.840485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.840485 (E_RNA) where: Base-Base interactions energy: -373.258 where: short stacking energy: -184.923 Base-Backbone interact. energy: -0.634 local terms energy: -328.948727 where: bonds (distance) C4'-P energy: -98.101 bonds (distance) P-C4' energy: -73.713 flat angles C4'-P-C4' energy: -80.548 flat angles P-C4'-P energy: -49.966 tors. eta vs tors. theta energy: -26.620 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: 9, replica: 8 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -604.375296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.375296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.375296 (E_RNA) where: Base-Base interactions energy: -299.205 where: short stacking energy: -158.701 Base-Backbone interact. energy: -2.337 local terms energy: -302.832787 where: bonds (distance) C4'-P energy: -89.733 bonds (distance) P-C4' energy: -85.092 flat angles C4'-P-C4' energy: -77.767 flat angles P-C4'-P energy: -35.254 tors. eta vs tors. theta energy: -14.987 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: 10, replica: 1 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -568.835421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.835421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.835421 (E_RNA) where: Base-Base interactions energy: -299.823 where: short stacking energy: -155.864 Base-Backbone interact. energy: 10.337 local terms energy: -279.348944 where: bonds (distance) C4'-P energy: -78.723 bonds (distance) P-C4' energy: -82.112 flat angles C4'-P-C4' energy: -74.476 flat angles P-C4'-P energy: -37.060 tors. eta vs tors. theta energy: -6.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1522.860922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.860922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.860922 (E_RNA) where: Base-Base interactions energy: -1016.527 where: short stacking energy: -472.923 Base-Backbone interact. energy: -1.186 local terms energy: -505.147605 where: bonds (distance) C4'-P energy: -81.321 bonds (distance) P-C4' energy: -92.090 flat angles C4'-P-C4' energy: -116.228 flat angles P-C4'-P energy: -73.089 tors. eta vs tors. theta energy: -142.420 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: 9 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1398.038553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.038553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.038553 (E_RNA) where: Base-Base interactions energy: -926.455 where: short stacking energy: -427.817 Base-Backbone interact. energy: -0.950 local terms energy: -470.633114 where: bonds (distance) C4'-P energy: -92.953 bonds (distance) P-C4' energy: -91.906 flat angles C4'-P-C4' energy: -105.309 flat angles P-C4'-P energy: -58.764 tors. eta vs tors. theta energy: -121.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1260.837505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.837505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.837505 (E_RNA) where: Base-Base interactions energy: -806.676 where: short stacking energy: -385.531 Base-Backbone interact. energy: -2.652 local terms energy: -451.509184 where: bonds (distance) C4'-P energy: -89.527 bonds (distance) P-C4' energy: -93.161 flat angles C4'-P-C4' energy: -93.457 flat angles P-C4'-P energy: -65.472 tors. eta vs tors. theta energy: -109.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1178.774627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.774627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.774627 (E_RNA) where: Base-Base interactions energy: -742.148 where: short stacking energy: -356.387 Base-Backbone interact. energy: 0.319 local terms energy: -436.946371 where: bonds (distance) C4'-P energy: -98.371 bonds (distance) P-C4' energy: -82.015 flat angles C4'-P-C4' energy: -104.284 flat angles P-C4'-P energy: -57.607 tors. eta vs tors. theta energy: -94.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1127.739763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.739763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.739763 (E_RNA) where: Base-Base interactions energy: -734.670 where: short stacking energy: -349.402 Base-Backbone interact. energy: -0.984 local terms energy: -392.085701 where: bonds (distance) C4'-P energy: -77.464 bonds (distance) P-C4' energy: -84.454 flat angles C4'-P-C4' energy: -97.490 flat angles P-C4'-P energy: -53.605 tors. eta vs tors. theta energy: -79.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -964.826369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.826369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.826369 (E_RNA) where: Base-Base interactions energy: -610.146 where: short stacking energy: -290.553 Base-Backbone interact. energy: -1.931 local terms energy: -352.749150 where: bonds (distance) C4'-P energy: -69.628 bonds (distance) P-C4' energy: -85.277 flat angles C4'-P-C4' energy: -83.472 flat angles P-C4'-P energy: -42.943 tors. eta vs tors. theta energy: -71.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -824.972141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.972141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.972141 (E_RNA) where: Base-Base interactions energy: -467.479 where: short stacking energy: -216.332 Base-Backbone interact. energy: 5.759 local terms energy: -363.252722 where: bonds (distance) C4'-P energy: -96.393 bonds (distance) P-C4' energy: -89.844 flat angles C4'-P-C4' energy: -93.407 flat angles P-C4'-P energy: -56.188 tors. eta vs tors. theta energy: -27.421 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: 8, replica: 7 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -706.814663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.814663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.814663 (E_RNA) where: Base-Base interactions energy: -396.271 where: short stacking energy: -190.896 Base-Backbone interact. energy: 1.708 local terms energy: -312.251671 where: bonds (distance) C4'-P energy: -74.656 bonds (distance) P-C4' energy: -89.246 flat angles C4'-P-C4' energy: -84.430 flat angles P-C4'-P energy: -42.634 tors. eta vs tors. theta energy: -21.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -587.494855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.494855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.494855 (E_RNA) where: Base-Base interactions energy: -297.273 where: short stacking energy: -167.339 Base-Backbone interact. energy: 0.055 local terms energy: -290.277011 where: bonds (distance) C4'-P energy: -65.510 bonds (distance) P-C4' energy: -88.852 flat angles C4'-P-C4' energy: -74.386 flat angles P-C4'-P energy: -49.454 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: 1 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -556.172672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.172672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.172672 (E_RNA) where: Base-Base interactions energy: -281.181 where: short stacking energy: -141.592 Base-Backbone interact. energy: -2.093 local terms energy: -272.898644 where: bonds (distance) C4'-P energy: -87.461 bonds (distance) P-C4' energy: -81.305 flat angles C4'-P-C4' energy: -71.857 flat angles P-C4'-P energy: -39.008 tors. eta vs tors. theta energy: 6.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1525.285294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.285294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.285294 (E_RNA) where: Base-Base interactions energy: -1003.607 where: short stacking energy: -474.261 Base-Backbone interact. energy: -1.051 local terms energy: -520.627224 where: bonds (distance) C4'-P energy: -88.620 bonds (distance) P-C4' energy: -99.619 flat angles C4'-P-C4' energy: -116.645 flat angles P-C4'-P energy: -65.821 tors. eta vs tors. theta energy: -149.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1369.495970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.495970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.495970 (E_RNA) where: Base-Base interactions energy: -930.422 where: short stacking energy: -428.325 Base-Backbone interact. energy: -4.208 local terms energy: -434.865993 where: bonds (distance) C4'-P energy: -72.202 bonds (distance) P-C4' energy: -90.865 flat angles C4'-P-C4' energy: -104.076 flat angles P-C4'-P energy: -52.778 tors. eta vs tors. theta energy: -114.945 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: 2 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -1308.086228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.086228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.086228 (E_RNA) where: Base-Base interactions energy: -835.174 where: short stacking energy: -408.788 Base-Backbone interact. energy: -2.472 local terms energy: -470.440175 where: bonds (distance) C4'-P energy: -87.657 bonds (distance) P-C4' energy: -100.142 flat angles C4'-P-C4' energy: -86.722 flat angles P-C4'-P energy: -74.299 tors. eta vs tors. theta energy: -121.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1190.692024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.692024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.692024 (E_RNA) where: Base-Base interactions energy: -767.545 where: short stacking energy: -360.343 Base-Backbone interact. energy: 8.851 local terms energy: -431.998077 where: bonds (distance) C4'-P energy: -96.627 bonds (distance) P-C4' energy: -83.390 flat angles C4'-P-C4' energy: -93.413 flat angles P-C4'-P energy: -60.012 tors. eta vs tors. theta energy: -98.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1135.464651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.464651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.464651 (E_RNA) where: Base-Base interactions energy: -724.818 where: short stacking energy: -337.033 Base-Backbone interact. energy: -2.208 local terms energy: -408.437967 where: bonds (distance) C4'-P energy: -85.261 bonds (distance) P-C4' energy: -92.028 flat angles C4'-P-C4' energy: -96.764 flat angles P-C4'-P energy: -52.323 tors. eta vs tors. theta energy: -82.062 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: 6, replica: 6 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -1035.844892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.844892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.844892 (E_RNA) where: Base-Base interactions energy: -629.325 where: short stacking energy: -274.683 Base-Backbone interact. energy: -2.006 local terms energy: -404.514391 where: bonds (distance) C4'-P energy: -94.025 bonds (distance) P-C4' energy: -95.628 flat angles C4'-P-C4' energy: -93.180 flat angles P-C4'-P energy: -53.204 tors. eta vs tors. theta energy: -68.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -848.505197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.505197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.505197 (E_RNA) where: Base-Base interactions energy: -513.068 where: short stacking energy: -226.110 Base-Backbone interact. energy: -2.543 local terms energy: -332.894409 where: bonds (distance) C4'-P energy: -88.298 bonds (distance) P-C4' energy: -75.788 flat angles C4'-P-C4' energy: -86.979 flat angles P-C4'-P energy: -53.099 tors. eta vs tors. theta energy: -28.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -739.392476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.392476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.392476 (E_RNA) where: Base-Base interactions energy: -402.373 where: short stacking energy: -198.299 Base-Backbone interact. energy: -2.090 local terms energy: -334.929892 where: bonds (distance) C4'-P energy: -76.443 bonds (distance) P-C4' energy: -90.754 flat angles C4'-P-C4' energy: -83.545 flat angles P-C4'-P energy: -55.903 tors. eta vs tors. theta energy: -28.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -609.857282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.857282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.857282 (E_RNA) where: Base-Base interactions energy: -312.747 where: short stacking energy: -180.564 Base-Backbone interact. energy: -0.901 local terms energy: -296.208699 where: bonds (distance) C4'-P energy: -73.394 bonds (distance) P-C4' energy: -77.373 flat angles C4'-P-C4' energy: -66.112 flat angles P-C4'-P energy: -57.130 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: 10, replica: 1 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -496.926741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.926741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.926741 (E_RNA) where: Base-Base interactions energy: -224.916 where: short stacking energy: -127.342 Base-Backbone interact. energy: -2.173 local terms energy: -269.838274 where: bonds (distance) C4'-P energy: -81.129 bonds (distance) P-C4' energy: -91.486 flat angles C4'-P-C4' energy: -58.140 flat angles P-C4'-P energy: -37.415 tors. eta vs tors. theta energy: -1.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1497.103315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.103315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.103315 (E_RNA) where: Base-Base interactions energy: -989.182 where: short stacking energy: -474.440 Base-Backbone interact. energy: -1.459 local terms energy: -506.461863 where: bonds (distance) C4'-P energy: -100.318 bonds (distance) P-C4' energy: -90.747 flat angles C4'-P-C4' energy: -110.542 flat angles P-C4'-P energy: -67.854 tors. eta vs tors. theta energy: -137.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1369.335988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.335988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.335988 (E_RNA) where: Base-Base interactions energy: -887.722 where: short stacking energy: -411.255 Base-Backbone interact. energy: -3.811 local terms energy: -477.802706 where: bonds (distance) C4'-P energy: -101.356 bonds (distance) P-C4' energy: -93.944 flat angles C4'-P-C4' energy: -100.593 flat angles P-C4'-P energy: -65.772 tors. eta vs tors. theta energy: -116.138 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: 2 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1291.033316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.033316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.033316 (E_RNA) where: Base-Base interactions energy: -799.883 where: short stacking energy: -388.914 Base-Backbone interact. energy: -1.594 local terms energy: -489.555945 where: bonds (distance) C4'-P energy: -91.159 bonds (distance) P-C4' energy: -103.180 flat angles C4'-P-C4' energy: -106.123 flat angles P-C4'-P energy: -71.580 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: 4, replica: 10 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -1167.648167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.648167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.648167 (E_RNA) where: Base-Base interactions energy: -756.517 where: short stacking energy: -332.375 Base-Backbone interact. energy: -2.412 local terms energy: -408.719272 where: bonds (distance) C4'-P energy: -87.364 bonds (distance) P-C4' energy: -86.816 flat angles C4'-P-C4' energy: -83.359 flat angles P-C4'-P energy: -69.352 tors. eta vs tors. theta energy: -81.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1116.726127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.726127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.726127 (E_RNA) where: Base-Base interactions energy: -720.652 where: short stacking energy: -326.268 Base-Backbone interact. energy: -1.619 local terms energy: -394.455723 where: bonds (distance) C4'-P energy: -86.648 bonds (distance) P-C4' energy: -83.180 flat angles C4'-P-C4' energy: -87.741 flat angles P-C4'-P energy: -63.349 tors. eta vs tors. theta energy: -73.538 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: 6, replica: 6 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1031.199519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.199519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.199519 (E_RNA) where: Base-Base interactions energy: -657.502 where: short stacking energy: -290.650 Base-Backbone interact. energy: -1.095 local terms energy: -372.601668 where: bonds (distance) C4'-P energy: -87.573 bonds (distance) P-C4' energy: -83.201 flat angles C4'-P-C4' energy: -88.762 flat angles P-C4'-P energy: -44.471 tors. eta vs tors. theta energy: -68.595 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: 4 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -899.010551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.010551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.010551 (E_RNA) where: Base-Base interactions energy: -517.455 where: short stacking energy: -255.891 Base-Backbone interact. energy: -4.251 local terms energy: -377.304192 where: bonds (distance) C4'-P energy: -80.520 bonds (distance) P-C4' energy: -90.582 flat angles C4'-P-C4' energy: -99.448 flat angles P-C4'-P energy: -52.923 tors. eta vs tors. theta energy: -53.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -702.226992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.226992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.226992 (E_RNA) where: Base-Base interactions energy: -395.901 where: short stacking energy: -202.699 Base-Backbone interact. energy: 0.251 local terms energy: -306.577502 where: bonds (distance) C4'-P energy: -87.191 bonds (distance) P-C4' energy: -85.679 flat angles C4'-P-C4' energy: -78.383 flat angles P-C4'-P energy: -32.974 tors. eta vs tors. theta energy: -22.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -620.085037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.085037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.085037 (E_RNA) where: Base-Base interactions energy: -325.838 where: short stacking energy: -160.925 Base-Backbone interact. energy: -2.294 local terms energy: -291.953550 where: bonds (distance) C4'-P energy: -88.367 bonds (distance) P-C4' energy: -83.947 flat angles C4'-P-C4' energy: -72.486 flat angles P-C4'-P energy: -44.329 tors. eta vs tors. theta energy: -2.825 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: 1 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -498.900812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.900812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.900812 (E_RNA) where: Base-Base interactions energy: -249.431 where: short stacking energy: -126.789 Base-Backbone interact. energy: -1.707 local terms energy: -247.762525 where: bonds (distance) C4'-P energy: -70.269 bonds (distance) P-C4' energy: -88.126 flat angles C4'-P-C4' energy: -65.359 flat angles P-C4'-P energy: -37.033 tors. eta vs tors. theta energy: 13.024 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: 5 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1501.234565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.234565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.234565 (E_RNA) where: Base-Base interactions energy: -997.806 where: short stacking energy: -467.749 Base-Backbone interact. energy: -1.163 local terms energy: -502.264652 where: bonds (distance) C4'-P energy: -94.403 bonds (distance) P-C4' energy: -106.346 flat angles C4'-P-C4' energy: -104.278 flat angles P-C4'-P energy: -66.715 tors. eta vs tors. theta energy: -130.523 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: 9 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1399.882428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.882428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.882428 (E_RNA) where: Base-Base interactions energy: -927.760 where: short stacking energy: -421.279 Base-Backbone interact. energy: -2.116 local terms energy: -470.006868 where: bonds (distance) C4'-P energy: -92.146 bonds (distance) P-C4' energy: -91.731 flat angles C4'-P-C4' energy: -93.803 flat angles P-C4'-P energy: -69.413 tors. eta vs tors. theta energy: -122.914 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: 3, replica: 2 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -1266.076970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.076970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.076970 (E_RNA) where: Base-Base interactions energy: -823.726 where: short stacking energy: -368.229 Base-Backbone interact. energy: -1.251 local terms energy: -441.100282 where: bonds (distance) C4'-P energy: -85.938 bonds (distance) P-C4' energy: -91.414 flat angles C4'-P-C4' energy: -84.266 flat angles P-C4'-P energy: -68.679 tors. eta vs tors. theta energy: -110.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1125.603981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.603981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.603981 (E_RNA) where: Base-Base interactions energy: -717.178 where: short stacking energy: -337.672 Base-Backbone interact. energy: -1.720 local terms energy: -406.706403 where: bonds (distance) C4'-P energy: -79.235 bonds (distance) P-C4' energy: -86.332 flat angles C4'-P-C4' energy: -93.030 flat angles P-C4'-P energy: -72.791 tors. eta vs tors. theta energy: -75.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1139.009734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.009734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.009734 (E_RNA) where: Base-Base interactions energy: -738.289 where: short stacking energy: -338.207 Base-Backbone interact. energy: 2.600 local terms energy: -403.320706 where: bonds (distance) C4'-P energy: -77.175 bonds (distance) P-C4' energy: -96.570 flat angles C4'-P-C4' energy: -97.635 flat angles P-C4'-P energy: -51.695 tors. eta vs tors. theta energy: -80.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -998.483202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.483202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.483202 (E_RNA) where: Base-Base interactions energy: -628.141 where: short stacking energy: -299.972 Base-Backbone interact. energy: 0.384 local terms energy: -370.726023 where: bonds (distance) C4'-P energy: -72.543 bonds (distance) P-C4' energy: -81.513 flat angles C4'-P-C4' energy: -82.283 flat angles P-C4'-P energy: -64.870 tors. eta vs tors. theta energy: -69.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -867.439985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.439985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.439985 (E_RNA) where: Base-Base interactions energy: -515.462 where: short stacking energy: -241.875 Base-Backbone interact. energy: 0.482 local terms energy: -352.459582 where: bonds (distance) C4'-P energy: -96.209 bonds (distance) P-C4' energy: -86.546 flat angles C4'-P-C4' energy: -80.179 flat angles P-C4'-P energy: -44.293 tors. eta vs tors. theta energy: -45.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -628.623027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.623027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.623027 (E_RNA) where: Base-Base interactions energy: -369.886 where: short stacking energy: -209.815 Base-Backbone interact. energy: 3.065 local terms energy: -261.801741 where: bonds (distance) C4'-P energy: -65.967 bonds (distance) P-C4' energy: -69.978 flat angles C4'-P-C4' energy: -78.946 flat angles P-C4'-P energy: -28.986 tors. eta vs tors. theta energy: -17.925 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: 9, replica: 8 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -606.777541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.777541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.777541 (E_RNA) where: Base-Base interactions energy: -330.889 where: short stacking energy: -176.193 Base-Backbone interact. energy: -2.062 local terms energy: -273.826815 where: bonds (distance) C4'-P energy: -70.172 bonds (distance) P-C4' energy: -86.915 flat angles C4'-P-C4' energy: -77.678 flat angles P-C4'-P energy: -33.072 tors. eta vs tors. theta energy: -5.990 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: 1 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -468.830781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.830781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.830781 (E_RNA) where: Base-Base interactions energy: -208.498 where: short stacking energy: -121.064 Base-Backbone interact. energy: -1.401 local terms energy: -258.932025 where: bonds (distance) C4'-P energy: -63.587 bonds (distance) P-C4' energy: -90.196 flat angles C4'-P-C4' energy: -69.781 flat angles P-C4'-P energy: -42.836 tors. eta vs tors. theta energy: 7.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1494.589177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.589177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.589177 (E_RNA) where: Base-Base interactions energy: -999.617 where: short stacking energy: -441.818 Base-Backbone interact. energy: 0.020 local terms energy: -494.992823 where: bonds (distance) C4'-P energy: -95.920 bonds (distance) P-C4' energy: -97.905 flat angles C4'-P-C4' energy: -108.023 flat angles P-C4'-P energy: -62.930 tors. eta vs tors. theta energy: -130.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1377.988108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.988108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.988108 (E_RNA) where: Base-Base interactions energy: -904.825 where: short stacking energy: -407.223 Base-Backbone interact. energy: -1.886 local terms energy: -471.276934 where: bonds (distance) C4'-P energy: -84.876 bonds (distance) P-C4' energy: -95.670 flat angles C4'-P-C4' energy: -109.953 flat angles P-C4'-P energy: -70.737 tors. eta vs tors. theta energy: -110.042 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: 2 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1235.299894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.299894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.299894 (E_RNA) where: Base-Base interactions energy: -809.283 where: short stacking energy: -370.174 Base-Backbone interact. energy: -2.882 local terms energy: -423.135046 where: bonds (distance) C4'-P energy: -83.485 bonds (distance) P-C4' energy: -81.017 flat angles C4'-P-C4' energy: -106.446 flat angles P-C4'-P energy: -54.964 tors. eta vs tors. theta energy: -97.223 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: 10 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1170.629110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.629110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.629110 (E_RNA) where: Base-Base interactions energy: -774.992 where: short stacking energy: -353.877 Base-Backbone interact. energy: -2.111 local terms energy: -393.526130 where: bonds (distance) C4'-P energy: -79.161 bonds (distance) P-C4' energy: -91.008 flat angles C4'-P-C4' energy: -88.736 flat angles P-C4'-P energy: -51.982 tors. eta vs tors. theta energy: -82.639 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: 3 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1132.312369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.312369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.312369 (E_RNA) where: Base-Base interactions energy: -711.970 where: short stacking energy: -348.114 Base-Backbone interact. energy: -0.373 local terms energy: -419.969492 where: bonds (distance) C4'-P energy: -86.820 bonds (distance) P-C4' energy: -108.813 flat angles C4'-P-C4' energy: -100.217 flat angles P-C4'-P energy: -44.778 tors. eta vs tors. theta energy: -79.342 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: 6 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1020.909704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.909704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.909704 (E_RNA) where: Base-Base interactions energy: -613.011 where: short stacking energy: -288.550 Base-Backbone interact. energy: 1.012 local terms energy: -408.910560 where: bonds (distance) C4'-P energy: -82.769 bonds (distance) P-C4' energy: -94.808 flat angles C4'-P-C4' energy: -99.328 flat angles P-C4'-P energy: -54.204 tors. eta vs tors. theta energy: -77.801 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: 4 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -862.155077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.155077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.155077 (E_RNA) where: Base-Base interactions energy: -541.751 where: short stacking energy: -254.357 Base-Backbone interact. energy: -2.136 local terms energy: -318.268089 where: bonds (distance) C4'-P energy: -88.512 bonds (distance) P-C4' energy: -69.292 flat angles C4'-P-C4' energy: -71.641 flat angles P-C4'-P energy: -37.835 tors. eta vs tors. theta energy: -50.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -689.054050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.054050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.054050 (E_RNA) where: Base-Base interactions energy: -363.400 where: short stacking energy: -188.824 Base-Backbone interact. energy: 2.598 local terms energy: -328.251834 where: bonds (distance) C4'-P energy: -84.497 bonds (distance) P-C4' energy: -79.054 flat angles C4'-P-C4' energy: -81.066 flat angles P-C4'-P energy: -58.413 tors. eta vs tors. theta energy: -25.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -624.778271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.778271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.778271 (E_RNA) where: Base-Base interactions energy: -318.994 where: short stacking energy: -165.960 Base-Backbone interact. energy: 0.050 local terms energy: -305.834236 where: bonds (distance) C4'-P energy: -72.556 bonds (distance) P-C4' energy: -91.582 flat angles C4'-P-C4' energy: -84.143 flat angles P-C4'-P energy: -47.639 tors. eta vs tors. theta energy: -9.914 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: 1 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -501.771950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.771950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.771950 (E_RNA) where: Base-Base interactions energy: -254.449 where: short stacking energy: -140.628 Base-Backbone interact. energy: 2.915 local terms energy: -250.238446 where: bonds (distance) C4'-P energy: -78.069 bonds (distance) P-C4' energy: -76.799 flat angles C4'-P-C4' energy: -63.245 flat angles P-C4'-P energy: -40.230 tors. eta vs tors. theta energy: 8.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1536.977899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.977899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.977899 (E_RNA) where: Base-Base interactions energy: -1032.253 where: short stacking energy: -495.587 Base-Backbone interact. energy: -1.045 local terms energy: -503.680890 where: bonds (distance) C4'-P energy: -83.570 bonds (distance) P-C4' energy: -93.712 flat angles C4'-P-C4' energy: -111.223 flat angles P-C4'-P energy: -67.308 tors. eta vs tors. theta energy: -147.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1414.652517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.652517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.652517 (E_RNA) where: Base-Base interactions energy: -930.350 where: short stacking energy: -442.165 Base-Backbone interact. energy: -3.442 local terms energy: -480.860553 where: bonds (distance) C4'-P energy: -85.574 bonds (distance) P-C4' energy: -111.563 flat angles C4'-P-C4' energy: -103.412 flat angles P-C4'-P energy: -65.236 tors. eta vs tors. theta energy: -115.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1244.077517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.077517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.077517 (E_RNA) where: Base-Base interactions energy: -793.660 where: short stacking energy: -385.789 Base-Backbone interact. energy: -0.182 local terms energy: -450.235346 where: bonds (distance) C4'-P energy: -96.821 bonds (distance) P-C4' energy: -91.722 flat angles C4'-P-C4' energy: -100.017 flat angles P-C4'-P energy: -55.843 tors. eta vs tors. theta energy: -105.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1194.193910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.193910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.193910 (E_RNA) where: Base-Base interactions energy: -777.865 where: short stacking energy: -337.242 Base-Backbone interact. energy: -3.502 local terms energy: -412.826951 where: bonds (distance) C4'-P energy: -85.137 bonds (distance) P-C4' energy: -92.409 flat angles C4'-P-C4' energy: -96.319 flat angles P-C4'-P energy: -58.096 tors. eta vs tors. theta energy: -80.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -1106.464690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.464690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.464690 (E_RNA) where: Base-Base interactions energy: -730.966 where: short stacking energy: -313.854 Base-Backbone interact. energy: -2.066 local terms energy: -373.432834 where: bonds (distance) C4'-P energy: -78.344 bonds (distance) P-C4' energy: -81.692 flat angles C4'-P-C4' energy: -100.411 flat angles P-C4'-P energy: -44.818 tors. eta vs tors. theta energy: -68.168 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: 6 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -979.076128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.076128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.076128 (E_RNA) where: Base-Base interactions energy: -592.999 where: short stacking energy: -285.032 Base-Backbone interact. energy: -2.621 local terms energy: -383.456005 where: bonds (distance) C4'-P energy: -92.792 bonds (distance) P-C4' energy: -79.911 flat angles C4'-P-C4' energy: -97.284 flat angles P-C4'-P energy: -48.887 tors. eta vs tors. theta energy: -64.582 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: 209 Temperature: 1.200000 Total energy: -858.984873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.984873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.984873 (E_RNA) where: Base-Base interactions energy: -501.427 where: short stacking energy: -253.610 Base-Backbone interact. energy: -1.978 local terms energy: -355.580098 where: bonds (distance) C4'-P energy: -82.007 bonds (distance) P-C4' energy: -86.747 flat angles C4'-P-C4' energy: -77.258 flat angles P-C4'-P energy: -51.234 tors. eta vs tors. theta energy: -58.334 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: 7 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -630.265092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.265092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.265092 (E_RNA) where: Base-Base interactions energy: -350.479 where: short stacking energy: -176.881 Base-Backbone interact. energy: 1.389 local terms energy: -281.175702 where: bonds (distance) C4'-P energy: -71.607 bonds (distance) P-C4' energy: -91.737 flat angles C4'-P-C4' energy: -75.004 flat angles P-C4'-P energy: -43.011 tors. eta vs tors. theta energy: 0.183 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: 9, replica: 8 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -601.570422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.570422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.570422 (E_RNA) where: Base-Base interactions energy: -306.930 where: short stacking energy: -158.154 Base-Backbone interact. energy: 4.342 local terms energy: -298.982254 where: bonds (distance) C4'-P energy: -87.299 bonds (distance) P-C4' energy: -82.472 flat angles C4'-P-C4' energy: -83.384 flat angles P-C4'-P energy: -33.809 tors. eta vs tors. theta energy: -12.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -549.526059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.526059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.526059 (E_RNA) where: Base-Base interactions energy: -273.898 where: short stacking energy: -168.084 Base-Backbone interact. energy: -1.519 local terms energy: -274.108561 where: bonds (distance) C4'-P energy: -72.387 bonds (distance) P-C4' energy: -73.740 flat angles C4'-P-C4' energy: -62.807 flat angles P-C4'-P energy: -55.082 tors. eta vs tors. theta energy: -10.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1511.292280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.292280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.292280 (E_RNA) where: Base-Base interactions energy: -1014.369 where: short stacking energy: -480.483 Base-Backbone interact. energy: 0.121 local terms energy: -497.044100 where: bonds (distance) C4'-P energy: -91.732 bonds (distance) P-C4' energy: -100.072 flat angles C4'-P-C4' energy: -93.868 flat angles P-C4'-P energy: -65.444 tors. eta vs tors. theta energy: -145.928 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: 210 Temperature: 0.950000 Total energy: -1417.833118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.833118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.833118 (E_RNA) where: Base-Base interactions energy: -948.310 where: short stacking energy: -423.864 Base-Backbone interact. energy: -2.458 local terms energy: -467.065445 where: bonds (distance) C4'-P energy: -91.156 bonds (distance) P-C4' energy: -95.567 flat angles C4'-P-C4' energy: -104.280 flat angles P-C4'-P energy: -66.990 tors. eta vs tors. theta energy: -109.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1285.341021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.341021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.341021 (E_RNA) where: Base-Base interactions energy: -816.205 where: short stacking energy: -380.608 Base-Backbone interact. energy: -1.810 local terms energy: -467.326316 where: bonds (distance) C4'-P energy: -95.707 bonds (distance) P-C4' energy: -92.219 flat angles C4'-P-C4' energy: -101.138 flat angles P-C4'-P energy: -68.781 tors. eta vs tors. theta energy: -109.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1193.792223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.792223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.792223 (E_RNA) where: Base-Base interactions energy: -769.622 where: short stacking energy: -343.672 Base-Backbone interact. energy: -1.572 local terms energy: -422.598507 where: bonds (distance) C4'-P energy: -81.090 bonds (distance) P-C4' energy: -93.960 flat angles C4'-P-C4' energy: -94.127 flat angles P-C4'-P energy: -64.645 tors. eta vs tors. theta energy: -88.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -1144.986885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.986885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.986885 (E_RNA) where: Base-Base interactions energy: -732.143 where: short stacking energy: -336.967 Base-Backbone interact. energy: -2.926 local terms energy: -409.918398 where: bonds (distance) C4'-P energy: -80.995 bonds (distance) P-C4' energy: -89.140 flat angles C4'-P-C4' energy: -90.126 flat angles P-C4'-P energy: -66.460 tors. eta vs tors. theta energy: -83.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -958.589277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.589277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.589277 (E_RNA) where: Base-Base interactions energy: -585.810 where: short stacking energy: -281.750 Base-Backbone interact. energy: -1.311 local terms energy: -371.468689 where: bonds (distance) C4'-P energy: -77.396 bonds (distance) P-C4' energy: -84.252 flat angles C4'-P-C4' energy: -89.503 flat angles P-C4'-P energy: -55.475 tors. eta vs tors. theta energy: -64.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -793.830666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.830666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.830666 (E_RNA) where: Base-Base interactions energy: -456.117 where: short stacking energy: -203.997 Base-Backbone interact. energy: -1.277 local terms energy: -336.436006 where: bonds (distance) C4'-P energy: -70.928 bonds (distance) P-C4' energy: -93.158 flat angles C4'-P-C4' energy: -98.798 flat angles P-C4'-P energy: -50.835 tors. eta vs tors. theta energy: -22.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -675.469284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.469284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.469284 (E_RNA) where: Base-Base interactions energy: -366.919 where: short stacking energy: -211.071 Base-Backbone interact. energy: 0.606 local terms energy: -309.156179 where: bonds (distance) C4'-P energy: -80.905 bonds (distance) P-C4' energy: -70.513 flat angles C4'-P-C4' energy: -69.579 flat angles P-C4'-P energy: -62.226 tors. eta vs tors. theta energy: -25.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -575.514411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.514411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.514411 (E_RNA) where: Base-Base interactions energy: -297.273 where: short stacking energy: -173.916 Base-Backbone interact. energy: -2.852 local terms energy: -275.388822 where: bonds (distance) C4'-P energy: -67.301 bonds (distance) P-C4' energy: -78.702 flat angles C4'-P-C4' energy: -70.928 flat angles P-C4'-P energy: -48.294 tors. eta vs tors. theta energy: -10.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -505.542348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.542348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.542348 (E_RNA) where: Base-Base interactions energy: -228.209 where: short stacking energy: -126.599 Base-Backbone interact. energy: -1.096 local terms energy: -276.237787 where: bonds (distance) C4'-P energy: -85.167 bonds (distance) P-C4' energy: -65.472 flat angles C4'-P-C4' energy: -65.449 flat angles P-C4'-P energy: -51.292 tors. eta vs tors. theta energy: -8.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1511.187363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.187363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.187363 (E_RNA) where: Base-Base interactions energy: -982.155 where: short stacking energy: -466.456 Base-Backbone interact. energy: -2.072 local terms energy: -526.960922 where: bonds (distance) C4'-P energy: -108.927 bonds (distance) P-C4' energy: -104.834 flat angles C4'-P-C4' energy: -109.859 flat angles P-C4'-P energy: -67.801 tors. eta vs tors. theta energy: -135.540 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: 211 Temperature: 0.950000 Total energy: -1382.437707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.437707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.437707 (E_RNA) where: Base-Base interactions energy: -902.115 where: short stacking energy: -411.451 Base-Backbone interact. energy: 0.059 local terms energy: -480.382327 where: bonds (distance) C4'-P energy: -95.534 bonds (distance) P-C4' energy: -88.604 flat angles C4'-P-C4' energy: -102.302 flat angles P-C4'-P energy: -71.625 tors. eta vs tors. theta energy: -122.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1279.036090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.036090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.036090 (E_RNA) where: Base-Base interactions energy: -821.770 where: short stacking energy: -389.146 Base-Backbone interact. energy: -1.103 local terms energy: -456.162341 where: bonds (distance) C4'-P energy: -95.200 bonds (distance) P-C4' energy: -93.635 flat angles C4'-P-C4' energy: -90.642 flat angles P-C4'-P energy: -61.493 tors. eta vs tors. theta energy: -115.192 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: 10 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1184.180509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.180509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.180509 (E_RNA) where: Base-Base interactions energy: -756.937 where: short stacking energy: -351.417 Base-Backbone interact. energy: 3.783 local terms energy: -431.027011 where: bonds (distance) C4'-P energy: -81.378 bonds (distance) P-C4' energy: -98.458 flat angles C4'-P-C4' energy: -100.741 flat angles P-C4'-P energy: -61.354 tors. eta vs tors. theta energy: -89.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -1117.105054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.105054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.105054 (E_RNA) where: Base-Base interactions energy: -705.826 where: short stacking energy: -333.282 Base-Backbone interact. energy: 0.904 local terms energy: -412.183222 where: bonds (distance) C4'-P energy: -77.368 bonds (distance) P-C4' energy: -81.938 flat angles C4'-P-C4' energy: -96.664 flat angles P-C4'-P energy: -66.663 tors. eta vs tors. theta energy: -89.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -944.695848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.695848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.695848 (E_RNA) where: Base-Base interactions energy: -595.071 where: short stacking energy: -280.571 Base-Backbone interact. energy: 0.622 local terms energy: -350.246529 where: bonds (distance) C4'-P energy: -74.820 bonds (distance) P-C4' energy: -83.364 flat angles C4'-P-C4' energy: -91.923 flat angles P-C4'-P energy: -50.721 tors. eta vs tors. theta energy: -49.418 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: 211 Temperature: 1.200000 Total energy: -884.452835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.452835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.452835 (E_RNA) where: Base-Base interactions energy: -562.063 where: short stacking energy: -247.522 Base-Backbone interact. energy: -3.861 local terms energy: -318.528210 where: bonds (distance) C4'-P energy: -73.959 bonds (distance) P-C4' energy: -79.854 flat angles C4'-P-C4' energy: -88.708 flat angles P-C4'-P energy: -42.933 tors. eta vs tors. theta energy: -33.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -615.972089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.972089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.972089 (E_RNA) where: Base-Base interactions energy: -306.251 where: short stacking energy: -170.976 Base-Backbone interact. energy: -1.418 local terms energy: -308.303725 where: bonds (distance) C4'-P energy: -75.394 bonds (distance) P-C4' energy: -102.048 flat angles C4'-P-C4' energy: -81.923 flat angles P-C4'-P energy: -46.980 tors. eta vs tors. theta energy: -1.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -629.672039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.672039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.672039 (E_RNA) where: Base-Base interactions energy: -340.492 where: short stacking energy: -166.683 Base-Backbone interact. energy: -0.799 local terms energy: -288.381195 where: bonds (distance) C4'-P energy: -72.196 bonds (distance) P-C4' energy: -69.467 flat angles C4'-P-C4' energy: -85.064 flat angles P-C4'-P energy: -56.530 tors. eta vs tors. theta energy: -5.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -495.170283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.170283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.170283 (E_RNA) where: Base-Base interactions energy: -247.118 where: short stacking energy: -155.108 Base-Backbone interact. energy: -1.465 local terms energy: -246.586947 where: bonds (distance) C4'-P energy: -55.240 bonds (distance) P-C4' energy: -71.031 flat angles C4'-P-C4' energy: -66.488 flat angles P-C4'-P energy: -47.400 tors. eta vs tors. theta energy: -6.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1490.115542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.115542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.115542 (E_RNA) where: Base-Base interactions energy: -987.828 where: short stacking energy: -471.773 Base-Backbone interact. energy: -1.476 local terms energy: -500.811429 where: bonds (distance) C4'-P energy: -103.810 bonds (distance) P-C4' energy: -74.284 flat angles C4'-P-C4' energy: -102.922 flat angles P-C4'-P energy: -79.397 tors. eta vs tors. theta energy: -140.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1399.430299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.430299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.430299 (E_RNA) where: Base-Base interactions energy: -898.794 where: short stacking energy: -399.923 Base-Backbone interact. energy: 0.342 local terms energy: -500.977969 where: bonds (distance) C4'-P energy: -105.014 bonds (distance) P-C4' energy: -100.525 flat angles C4'-P-C4' energy: -110.419 flat angles P-C4'-P energy: -62.453 tors. eta vs tors. theta energy: -122.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1288.670032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.670032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.670032 (E_RNA) where: Base-Base interactions energy: -836.338 where: short stacking energy: -371.249 Base-Backbone interact. energy: -2.329 local terms energy: -450.003227 where: bonds (distance) C4'-P energy: -91.051 bonds (distance) P-C4' energy: -91.886 flat angles C4'-P-C4' energy: -88.297 flat angles P-C4'-P energy: -67.690 tors. eta vs tors. theta energy: -111.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -1218.018370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.018370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.018370 (E_RNA) where: Base-Base interactions energy: -798.859 where: short stacking energy: -374.194 Base-Backbone interact. energy: -1.231 local terms energy: -417.928377 where: bonds (distance) C4'-P energy: -84.503 bonds (distance) P-C4' energy: -86.472 flat angles C4'-P-C4' energy: -95.199 flat angles P-C4'-P energy: -51.408 tors. eta vs tors. theta energy: -100.346 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: 3 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1140.941184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.941184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.941184 (E_RNA) where: Base-Base interactions energy: -718.762 where: short stacking energy: -338.981 Base-Backbone interact. energy: -2.142 local terms energy: -420.037309 where: bonds (distance) C4'-P energy: -78.840 bonds (distance) P-C4' energy: -90.261 flat angles C4'-P-C4' energy: -94.497 flat angles P-C4'-P energy: -72.765 tors. eta vs tors. theta energy: -83.673 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: 6, replica: 6 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -962.259689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.259689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.259689 (E_RNA) where: Base-Base interactions energy: -552.549 where: short stacking energy: -286.024 Base-Backbone interact. energy: -1.270 local terms energy: -408.440875 where: bonds (distance) C4'-P energy: -84.787 bonds (distance) P-C4' energy: -95.002 flat angles C4'-P-C4' energy: -93.707 flat angles P-C4'-P energy: -55.932 tors. eta vs tors. theta energy: -79.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -840.777259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.777259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.777259 (E_RNA) where: Base-Base interactions energy: -523.218 where: short stacking energy: -224.222 Base-Backbone interact. energy: -1.291 local terms energy: -316.268330 where: bonds (distance) C4'-P energy: -72.844 bonds (distance) P-C4' energy: -83.398 flat angles C4'-P-C4' energy: -63.675 flat angles P-C4'-P energy: -63.906 tors. eta vs tors. theta energy: -32.446 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: 8 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -627.283644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.283644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.283644 (E_RNA) where: Base-Base interactions energy: -328.781 where: short stacking energy: -147.416 Base-Backbone interact. energy: -0.842 local terms energy: -297.661356 where: bonds (distance) C4'-P energy: -90.652 bonds (distance) P-C4' energy: -78.434 flat angles C4'-P-C4' energy: -76.558 flat angles P-C4'-P energy: -46.523 tors. eta vs tors. theta energy: -5.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -641.254911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.254911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.254911 (E_RNA) where: Base-Base interactions energy: -327.172 where: short stacking energy: -179.248 Base-Backbone interact. energy: -0.833 local terms energy: -313.249806 where: bonds (distance) C4'-P energy: -85.412 bonds (distance) P-C4' energy: -89.755 flat angles C4'-P-C4' energy: -71.075 flat angles P-C4'-P energy: -46.688 tors. eta vs tors. theta energy: -20.321 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: 1 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -500.622779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.622779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.622779 (E_RNA) where: Base-Base interactions energy: -257.388 where: short stacking energy: -140.899 Base-Backbone interact. energy: 2.607 local terms energy: -245.841624 where: bonds (distance) C4'-P energy: -66.619 bonds (distance) P-C4' energy: -79.487 flat angles C4'-P-C4' energy: -68.761 flat angles P-C4'-P energy: -40.871 tors. eta vs tors. theta energy: 9.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1495.149282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.149282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.149282 (E_RNA) where: Base-Base interactions energy: -996.805 where: short stacking energy: -461.913 Base-Backbone interact. energy: -0.633 local terms energy: -497.710831 where: bonds (distance) C4'-P energy: -89.403 bonds (distance) P-C4' energy: -102.147 flat angles C4'-P-C4' energy: -107.368 flat angles P-C4'-P energy: -70.676 tors. eta vs tors. theta energy: -128.116 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: 213 Temperature: 0.950000 Total energy: -1396.985934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.985934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.985934 (E_RNA) where: Base-Base interactions energy: -935.788 where: short stacking energy: -432.380 Base-Backbone interact. energy: -0.565 local terms energy: -460.633076 where: bonds (distance) C4'-P energy: -81.484 bonds (distance) P-C4' energy: -80.822 flat angles C4'-P-C4' energy: -99.660 flat angles P-C4'-P energy: -73.892 tors. eta vs tors. theta energy: -124.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1268.408043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.408043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.408043 (E_RNA) where: Base-Base interactions energy: -818.855 where: short stacking energy: -399.731 Base-Backbone interact. energy: -0.353 local terms energy: -449.200041 where: bonds (distance) C4'-P energy: -73.762 bonds (distance) P-C4' energy: -92.597 flat angles C4'-P-C4' energy: -101.541 flat angles P-C4'-P energy: -59.271 tors. eta vs tors. theta energy: -122.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1211.368221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.368221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.368221 (E_RNA) where: Base-Base interactions energy: -769.968 where: short stacking energy: -381.528 Base-Backbone interact. energy: -0.540 local terms energy: -440.860347 where: bonds (distance) C4'-P energy: -76.889 bonds (distance) P-C4' energy: -92.500 flat angles C4'-P-C4' energy: -100.964 flat angles P-C4'-P energy: -74.582 tors. eta vs tors. theta energy: -95.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1141.836494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.836494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.836494 (E_RNA) where: Base-Base interactions energy: -737.186 where: short stacking energy: -337.686 Base-Backbone interact. energy: -0.617 local terms energy: -404.033452 where: bonds (distance) C4'-P energy: -82.492 bonds (distance) P-C4' energy: -93.052 flat angles C4'-P-C4' energy: -84.598 flat angles P-C4'-P energy: -64.664 tors. eta vs tors. theta energy: -79.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -923.562553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.562553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.562553 (E_RNA) where: Base-Base interactions energy: -556.678 where: short stacking energy: -279.340 Base-Backbone interact. energy: -0.263 local terms energy: -366.621212 where: bonds (distance) C4'-P energy: -88.908 bonds (distance) P-C4' energy: -85.212 flat angles C4'-P-C4' energy: -86.200 flat angles P-C4'-P energy: -47.929 tors. eta vs tors. theta energy: -58.372 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: 4 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -838.663465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.663465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.663465 (E_RNA) where: Base-Base interactions energy: -481.699 where: short stacking energy: -237.322 Base-Backbone interact. energy: -1.062 local terms energy: -355.901961 where: bonds (distance) C4'-P energy: -83.594 bonds (distance) P-C4' energy: -92.281 flat angles C4'-P-C4' energy: -89.753 flat angles P-C4'-P energy: -55.830 tors. eta vs tors. theta energy: -34.444 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: 7 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -687.128162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.128162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.128162 (E_RNA) where: Base-Base interactions energy: -382.262 where: short stacking energy: -193.193 Base-Backbone interact. energy: 2.479 local terms energy: -307.345109 where: bonds (distance) C4'-P energy: -85.325 bonds (distance) P-C4' energy: -75.896 flat angles C4'-P-C4' energy: -80.590 flat angles P-C4'-P energy: -53.340 tors. eta vs tors. theta energy: -12.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -611.591361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.591361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.591361 (E_RNA) where: Base-Base interactions energy: -326.600 where: short stacking energy: -168.139 Base-Backbone interact. energy: -0.011 local terms energy: -284.980121 where: bonds (distance) C4'-P energy: -73.423 bonds (distance) P-C4' energy: -79.382 flat angles C4'-P-C4' energy: -74.459 flat angles P-C4'-P energy: -46.998 tors. eta vs tors. theta energy: -10.719 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: 1 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -487.293683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.293683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.293683 (E_RNA) where: Base-Base interactions energy: -230.010 where: short stacking energy: -141.461 Base-Backbone interact. energy: 1.258 local terms energy: -258.541435 where: bonds (distance) C4'-P energy: -79.789 bonds (distance) P-C4' energy: -58.117 flat angles C4'-P-C4' energy: -81.507 flat angles P-C4'-P energy: -40.436 tors. eta vs tors. theta energy: 1.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1503.570251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.570251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.570251 (E_RNA) where: Base-Base interactions energy: -980.006 where: short stacking energy: -453.169 Base-Backbone interact. energy: -0.755 local terms energy: -522.809721 where: bonds (distance) C4'-P energy: -102.764 bonds (distance) P-C4' energy: -104.700 flat angles C4'-P-C4' energy: -103.447 flat angles P-C4'-P energy: -71.559 tors. eta vs tors. theta energy: -140.339 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: 9 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -1382.382149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.382149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.382149 (E_RNA) where: Base-Base interactions energy: -909.230 where: short stacking energy: -403.463 Base-Backbone interact. energy: -2.198 local terms energy: -470.954173 where: bonds (distance) C4'-P energy: -98.548 bonds (distance) P-C4' energy: -95.620 flat angles C4'-P-C4' energy: -104.334 flat angles P-C4'-P energy: -65.810 tors. eta vs tors. theta energy: -106.641 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: 3, replica: 2 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1271.539437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.539437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.539437 (E_RNA) where: Base-Base interactions energy: -811.811 where: short stacking energy: -382.841 Base-Backbone interact. energy: -0.429 local terms energy: -459.300018 where: bonds (distance) C4'-P energy: -79.523 bonds (distance) P-C4' energy: -96.410 flat angles C4'-P-C4' energy: -101.549 flat angles P-C4'-P energy: -68.694 tors. eta vs tors. theta energy: -113.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1157.460212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.460212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.460212 (E_RNA) where: Base-Base interactions energy: -756.714 where: short stacking energy: -368.690 Base-Backbone interact. energy: -0.499 local terms energy: -400.247007 where: bonds (distance) C4'-P energy: -89.050 bonds (distance) P-C4' energy: -77.341 flat angles C4'-P-C4' energy: -95.190 flat angles P-C4'-P energy: -59.188 tors. eta vs tors. theta energy: -79.478 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: 10 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1125.261547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.261547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.261547 (E_RNA) where: Base-Base interactions energy: -723.933 where: short stacking energy: -333.452 Base-Backbone interact. energy: 2.466 local terms energy: -403.794222 where: bonds (distance) C4'-P energy: -79.145 bonds (distance) P-C4' energy: -88.656 flat angles C4'-P-C4' energy: -89.179 flat angles P-C4'-P energy: -66.488 tors. eta vs tors. theta energy: -80.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -949.278647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.278647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.278647 (E_RNA) where: Base-Base interactions energy: -573.946 where: short stacking energy: -273.625 Base-Backbone interact. energy: -2.059 local terms energy: -373.274271 where: bonds (distance) C4'-P energy: -77.575 bonds (distance) P-C4' energy: -81.723 flat angles C4'-P-C4' energy: -94.138 flat angles P-C4'-P energy: -49.227 tors. eta vs tors. theta energy: -70.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -853.529460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.529460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.529460 (E_RNA) where: Base-Base interactions energy: -539.665 where: short stacking energy: -277.554 Base-Backbone interact. energy: -3.028 local terms energy: -310.835777 where: bonds (distance) C4'-P energy: -75.302 bonds (distance) P-C4' energy: -62.193 flat angles C4'-P-C4' energy: -70.402 flat angles P-C4'-P energy: -55.181 tors. eta vs tors. theta energy: -47.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -686.476228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.476228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.476228 (E_RNA) where: Base-Base interactions energy: -396.804 where: short stacking energy: -214.490 Base-Backbone interact. energy: -2.282 local terms energy: -287.390240 where: bonds (distance) C4'-P energy: -66.085 bonds (distance) P-C4' energy: -64.964 flat angles C4'-P-C4' energy: -83.352 flat angles P-C4'-P energy: -41.498 tors. eta vs tors. theta energy: -31.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -516.979704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.979704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.979704 (E_RNA) where: Base-Base interactions energy: -252.857 where: short stacking energy: -121.801 Base-Backbone interact. energy: -2.630 local terms energy: -261.492585 where: bonds (distance) C4'-P energy: -85.046 bonds (distance) P-C4' energy: -85.723 flat angles C4'-P-C4' energy: -73.411 flat angles P-C4'-P energy: -33.510 tors. eta vs tors. theta energy: 16.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -513.140323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.140323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.140323 (E_RNA) where: Base-Base interactions energy: -257.707 where: short stacking energy: -153.719 Base-Backbone interact. energy: 4.654 local terms energy: -260.087865 where: bonds (distance) C4'-P energy: -76.506 bonds (distance) P-C4' energy: -65.824 flat angles C4'-P-C4' energy: -76.055 flat angles P-C4'-P energy: -35.678 tors. eta vs tors. theta energy: -6.025 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: 5 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1462.525308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.525308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.525308 (E_RNA) where: Base-Base interactions energy: -943.840 where: short stacking energy: -463.118 Base-Backbone interact. energy: 0.065 local terms energy: -518.750391 where: bonds (distance) C4'-P energy: -103.517 bonds (distance) P-C4' energy: -94.090 flat angles C4'-P-C4' energy: -110.963 flat angles P-C4'-P energy: -73.345 tors. eta vs tors. theta energy: -136.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1425.630364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.630364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.630364 (E_RNA) where: Base-Base interactions energy: -951.111 where: short stacking energy: -462.562 Base-Backbone interact. energy: -1.364 local terms energy: -473.156211 where: bonds (distance) C4'-P energy: -99.627 bonds (distance) P-C4' energy: -91.557 flat angles C4'-P-C4' energy: -103.377 flat angles P-C4'-P energy: -60.102 tors. eta vs tors. theta energy: -118.494 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: 2 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1251.554865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.554865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.554865 (E_RNA) where: Base-Base interactions energy: -780.567 where: short stacking energy: -346.937 Base-Backbone interact. energy: 2.466 local terms energy: -473.453590 where: bonds (distance) C4'-P energy: -91.221 bonds (distance) P-C4' energy: -101.487 flat angles C4'-P-C4' energy: -105.528 flat angles P-C4'-P energy: -75.151 tors. eta vs tors. theta energy: -100.067 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: 4, replica: 3 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1167.893718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.893718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.893718 (E_RNA) where: Base-Base interactions energy: -737.439 where: short stacking energy: -347.539 Base-Backbone interact. energy: -1.802 local terms energy: -428.652678 where: bonds (distance) C4'-P energy: -83.032 bonds (distance) P-C4' energy: -95.427 flat angles C4'-P-C4' energy: -99.523 flat angles P-C4'-P energy: -56.005 tors. eta vs tors. theta energy: -94.666 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: 5, replica: 10 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1103.002302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.002302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.002302 (E_RNA) where: Base-Base interactions energy: -695.449 where: short stacking energy: -325.108 Base-Backbone interact. energy: -0.760 local terms energy: -406.792969 where: bonds (distance) C4'-P energy: -78.692 bonds (distance) P-C4' energy: -94.905 flat angles C4'-P-C4' energy: -91.480 flat angles P-C4'-P energy: -57.087 tors. eta vs tors. theta energy: -84.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -976.011520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.011520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.011520 (E_RNA) where: Base-Base interactions energy: -575.437 where: short stacking energy: -280.200 Base-Backbone interact. energy: -0.976 local terms energy: -399.598498 where: bonds (distance) C4'-P energy: -93.909 bonds (distance) P-C4' energy: -84.311 flat angles C4'-P-C4' energy: -94.312 flat angles P-C4'-P energy: -53.432 tors. eta vs tors. theta energy: -73.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -817.722457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.722457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.722457 (E_RNA) where: Base-Base interactions energy: -479.852 where: short stacking energy: -224.461 Base-Backbone interact. energy: -3.073 local terms energy: -334.797912 where: bonds (distance) C4'-P energy: -80.947 bonds (distance) P-C4' energy: -89.564 flat angles C4'-P-C4' energy: -77.955 flat angles P-C4'-P energy: -51.169 tors. eta vs tors. theta energy: -35.162 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: 7 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -669.184247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.184247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.184247 (E_RNA) where: Base-Base interactions energy: -366.788 where: short stacking energy: -209.593 Base-Backbone interact. energy: 0.157 local terms energy: -302.552930 where: bonds (distance) C4'-P energy: -74.385 bonds (distance) P-C4' energy: -85.939 flat angles C4'-P-C4' energy: -70.195 flat angles P-C4'-P energy: -48.944 tors. eta vs tors. theta energy: -23.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -530.731820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.731820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.731820 (E_RNA) where: Base-Base interactions energy: -253.716 where: short stacking energy: -142.390 Base-Backbone interact. energy: -2.189 local terms energy: -274.826765 where: bonds (distance) C4'-P energy: -73.448 bonds (distance) P-C4' energy: -84.925 flat angles C4'-P-C4' energy: -81.927 flat angles P-C4'-P energy: -37.162 tors. eta vs tors. theta energy: 2.636 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: 1 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -524.243055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.243055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.243055 (E_RNA) where: Base-Base interactions energy: -251.794 where: short stacking energy: -135.992 Base-Backbone interact. energy: -1.473 local terms energy: -270.976774 where: bonds (distance) C4'-P energy: -78.137 bonds (distance) P-C4' energy: -81.876 flat angles C4'-P-C4' energy: -77.521 flat angles P-C4'-P energy: -28.796 tors. eta vs tors. theta energy: -4.646 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: 9 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1457.009290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.009290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.009290 (E_RNA) where: Base-Base interactions energy: -955.613 where: short stacking energy: -431.291 Base-Backbone interact. energy: -1.151 local terms energy: -500.245127 where: bonds (distance) C4'-P energy: -103.645 bonds (distance) P-C4' energy: -97.939 flat angles C4'-P-C4' energy: -111.729 flat angles P-C4'-P energy: -69.673 tors. eta vs tors. theta energy: -117.259 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: 5 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1430.187775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.187775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.187775 (E_RNA) where: Base-Base interactions energy: -920.290 where: short stacking energy: -428.379 Base-Backbone interact. energy: -0.116 local terms energy: -509.781614 where: bonds (distance) C4'-P energy: -104.241 bonds (distance) P-C4' energy: -102.337 flat angles C4'-P-C4' energy: -112.885 flat angles P-C4'-P energy: -68.051 tors. eta vs tors. theta energy: -122.268 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: 2 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1237.859485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.859485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.859485 (E_RNA) where: Base-Base interactions energy: -797.740 where: short stacking energy: -359.901 Base-Backbone interact. energy: -1.873 local terms energy: -438.247152 where: bonds (distance) C4'-P energy: -87.180 bonds (distance) P-C4' energy: -84.279 flat angles C4'-P-C4' energy: -106.749 flat angles P-C4'-P energy: -65.551 tors. eta vs tors. theta energy: -94.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1198.909206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.909206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.909206 (E_RNA) where: Base-Base interactions energy: -756.690 where: short stacking energy: -371.424 Base-Backbone interact. energy: -2.136 local terms energy: -440.083777 where: bonds (distance) C4'-P energy: -79.719 bonds (distance) P-C4' energy: -100.534 flat angles C4'-P-C4' energy: -92.230 flat angles P-C4'-P energy: -68.679 tors. eta vs tors. theta energy: -98.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1112.007743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.007743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.007743 (E_RNA) where: Base-Base interactions energy: -701.601 where: short stacking energy: -334.867 Base-Backbone interact. energy: -1.707 local terms energy: -408.699502 where: bonds (distance) C4'-P energy: -97.074 bonds (distance) P-C4' energy: -71.478 flat angles C4'-P-C4' energy: -98.814 flat angles P-C4'-P energy: -58.988 tors. eta vs tors. theta energy: -82.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -966.092685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.092685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.092685 (E_RNA) where: Base-Base interactions energy: -596.727 where: short stacking energy: -297.843 Base-Backbone interact. energy: 1.003 local terms energy: -370.369338 where: bonds (distance) C4'-P energy: -81.196 bonds (distance) P-C4' energy: -83.720 flat angles C4'-P-C4' energy: -85.698 flat angles P-C4'-P energy: -59.244 tors. eta vs tors. theta energy: -60.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -853.481944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.481944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.481944 (E_RNA) where: Base-Base interactions energy: -485.453 where: short stacking energy: -262.573 Base-Backbone interact. energy: -2.326 local terms energy: -365.702461 where: bonds (distance) C4'-P energy: -82.913 bonds (distance) P-C4' energy: -82.203 flat angles C4'-P-C4' energy: -80.954 flat angles P-C4'-P energy: -62.254 tors. eta vs tors. theta energy: -57.379 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: 7 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -675.181729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.181729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.181729 (E_RNA) where: Base-Base interactions energy: -388.605 where: short stacking energy: -182.668 Base-Backbone interact. energy: -1.448 local terms energy: -285.128141 where: bonds (distance) C4'-P energy: -63.682 bonds (distance) P-C4' energy: -90.308 flat angles C4'-P-C4' energy: -83.705 flat angles P-C4'-P energy: -36.348 tors. eta vs tors. theta energy: -11.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -523.177072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.177072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.177072 (E_RNA) where: Base-Base interactions energy: -260.577 where: short stacking energy: -144.542 Base-Backbone interact. energy: -2.663 local terms energy: -259.936902 where: bonds (distance) C4'-P energy: -86.667 bonds (distance) P-C4' energy: -65.913 flat angles C4'-P-C4' energy: -67.622 flat angles P-C4'-P energy: -47.969 tors. eta vs tors. theta energy: 8.234 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: 8 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -515.391232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.391232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.391232 (E_RNA) where: Base-Base interactions energy: -224.854 where: short stacking energy: -127.549 Base-Backbone interact. energy: -3.513 local terms energy: -287.024307 where: bonds (distance) C4'-P energy: -70.952 bonds (distance) P-C4' energy: -93.023 flat angles C4'-P-C4' energy: -69.982 flat angles P-C4'-P energy: -58.196 tors. eta vs tors. theta energy: 5.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1454.850858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.850858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.850858 (E_RNA) where: Base-Base interactions energy: -933.691 where: short stacking energy: -450.297 Base-Backbone interact. energy: -2.737 local terms energy: -518.422931 where: bonds (distance) C4'-P energy: -86.370 bonds (distance) P-C4' energy: -103.599 flat angles C4'-P-C4' energy: -116.363 flat angles P-C4'-P energy: -76.396 tors. eta vs tors. theta energy: -135.695 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: 5 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -1407.297544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.297544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.297544 (E_RNA) where: Base-Base interactions energy: -929.384 where: short stacking energy: -419.368 Base-Backbone interact. energy: -3.594 local terms energy: -474.320408 where: bonds (distance) C4'-P energy: -92.475 bonds (distance) P-C4' energy: -97.824 flat angles C4'-P-C4' energy: -100.547 flat angles P-C4'-P energy: -63.952 tors. eta vs tors. theta energy: -119.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1269.505142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.505142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.505142 (E_RNA) where: Base-Base interactions energy: -778.742 where: short stacking energy: -347.115 Base-Backbone interact. energy: -2.202 local terms energy: -488.561328 where: bonds (distance) C4'-P energy: -99.208 bonds (distance) P-C4' energy: -107.386 flat angles C4'-P-C4' energy: -103.210 flat angles P-C4'-P energy: -69.286 tors. eta vs tors. theta energy: -109.472 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: 3 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1205.420982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.420982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.420982 (E_RNA) where: Base-Base interactions energy: -773.227 where: short stacking energy: -365.601 Base-Backbone interact. energy: -0.979 local terms energy: -431.214273 where: bonds (distance) C4'-P energy: -87.633 bonds (distance) P-C4' energy: -87.416 flat angles C4'-P-C4' energy: -107.721 flat angles P-C4'-P energy: -59.673 tors. eta vs tors. theta energy: -88.772 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: 10 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1135.117058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.117058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.117058 (E_RNA) where: Base-Base interactions energy: -714.923 where: short stacking energy: -337.816 Base-Backbone interact. energy: -3.492 local terms energy: -416.702145 where: bonds (distance) C4'-P energy: -75.062 bonds (distance) P-C4' energy: -96.061 flat angles C4'-P-C4' energy: -101.536 flat angles P-C4'-P energy: -53.189 tors. eta vs tors. theta energy: -90.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -973.584333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.584333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.584333 (E_RNA) where: Base-Base interactions energy: -590.574 where: short stacking energy: -265.515 Base-Backbone interact. energy: -1.306 local terms energy: -381.704617 where: bonds (distance) C4'-P energy: -96.635 bonds (distance) P-C4' energy: -88.852 flat angles C4'-P-C4' energy: -80.467 flat angles P-C4'-P energy: -48.917 tors. eta vs tors. theta energy: -66.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -817.211932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.211932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.211932 (E_RNA) where: Base-Base interactions energy: -473.477 where: short stacking energy: -208.366 Base-Backbone interact. energy: 1.367 local terms energy: -345.101317 where: bonds (distance) C4'-P energy: -90.835 bonds (distance) P-C4' energy: -83.745 flat angles C4'-P-C4' energy: -87.943 flat angles P-C4'-P energy: -54.637 tors. eta vs tors. theta energy: -27.942 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: 8, replica: 7 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -665.471277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.471277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.471277 (E_RNA) where: Base-Base interactions energy: -380.796 where: short stacking energy: -188.550 Base-Backbone interact. energy: 3.064 local terms energy: -287.738647 where: bonds (distance) C4'-P energy: -71.876 bonds (distance) P-C4' energy: -79.645 flat angles C4'-P-C4' energy: -86.793 flat angles P-C4'-P energy: -44.348 tors. eta vs tors. theta energy: -5.077 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: 9, replica: 1 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -520.033022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.033022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.033022 (E_RNA) where: Base-Base interactions energy: -229.057 where: short stacking energy: -130.448 Base-Backbone interact. energy: -2.006 local terms energy: -288.970099 where: bonds (distance) C4'-P energy: -83.551 bonds (distance) P-C4' energy: -96.012 flat angles C4'-P-C4' energy: -73.683 flat angles P-C4'-P energy: -46.720 tors. eta vs tors. theta energy: 10.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -506.359092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.359092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.359092 (E_RNA) where: Base-Base interactions energy: -238.565 where: short stacking energy: -136.189 Base-Backbone interact. energy: 0.675 local terms energy: -268.469560 where: bonds (distance) C4'-P energy: -80.360 bonds (distance) P-C4' energy: -84.063 flat angles C4'-P-C4' energy: -53.226 flat angles P-C4'-P energy: -40.415 tors. eta vs tors. theta energy: -10.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1503.200167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.200167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.200167 (E_RNA) where: Base-Base interactions energy: -969.056 where: short stacking energy: -461.818 Base-Backbone interact. energy: -4.126 local terms energy: -530.018238 where: bonds (distance) C4'-P energy: -102.119 bonds (distance) P-C4' energy: -101.472 flat angles C4'-P-C4' energy: -111.749 flat angles P-C4'-P energy: -68.539 tors. eta vs tors. theta energy: -146.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -1416.976283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.976283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.976283 (E_RNA) where: Base-Base interactions energy: -938.857 where: short stacking energy: -443.792 Base-Backbone interact. energy: -1.940 local terms energy: -476.179118 where: bonds (distance) C4'-P energy: -92.103 bonds (distance) P-C4' energy: -80.518 flat angles C4'-P-C4' energy: -107.673 flat angles P-C4'-P energy: -63.599 tors. eta vs tors. theta energy: -132.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1263.582252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.582252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.582252 (E_RNA) where: Base-Base interactions energy: -809.260 where: short stacking energy: -376.395 Base-Backbone interact. energy: 3.672 local terms energy: -457.993660 where: bonds (distance) C4'-P energy: -101.819 bonds (distance) P-C4' energy: -101.020 flat angles C4'-P-C4' energy: -87.656 flat angles P-C4'-P energy: -72.600 tors. eta vs tors. theta energy: -94.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1222.394838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.394838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.394838 (E_RNA) where: Base-Base interactions energy: -767.222 where: short stacking energy: -350.822 Base-Backbone interact. energy: -3.358 local terms energy: -451.813877 where: bonds (distance) C4'-P energy: -83.588 bonds (distance) P-C4' energy: -101.735 flat angles C4'-P-C4' energy: -95.858 flat angles P-C4'-P energy: -67.192 tors. eta vs tors. theta energy: -103.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1128.172942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.172942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.172942 (E_RNA) where: Base-Base interactions energy: -728.404 where: short stacking energy: -351.138 Base-Backbone interact. energy: -2.312 local terms energy: -397.456427 where: bonds (distance) C4'-P energy: -61.828 bonds (distance) P-C4' energy: -83.646 flat angles C4'-P-C4' energy: -105.622 flat angles P-C4'-P energy: -59.882 tors. eta vs tors. theta energy: -86.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -992.759324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.759324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.759324 (E_RNA) where: Base-Base interactions energy: -606.910 where: short stacking energy: -281.212 Base-Backbone interact. energy: 0.030 local terms energy: -385.879174 where: bonds (distance) C4'-P energy: -96.957 bonds (distance) P-C4' energy: -87.651 flat angles C4'-P-C4' energy: -84.873 flat angles P-C4'-P energy: -44.898 tors. eta vs tors. theta energy: -71.500 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: 7, replica: 4 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -809.009280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.009280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.009280 (E_RNA) where: Base-Base interactions energy: -501.791 where: short stacking energy: -230.426 Base-Backbone interact. energy: -0.070 local terms energy: -307.148739 where: bonds (distance) C4'-P energy: -78.281 bonds (distance) P-C4' energy: -74.103 flat angles C4'-P-C4' energy: -75.705 flat angles P-C4'-P energy: -33.063 tors. eta vs tors. theta energy: -45.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -698.129985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.129985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.129985 (E_RNA) where: Base-Base interactions energy: -374.817 where: short stacking energy: -199.100 Base-Backbone interact. energy: 1.270 local terms energy: -324.583307 where: bonds (distance) C4'-P energy: -86.484 bonds (distance) P-C4' energy: -77.201 flat angles C4'-P-C4' energy: -81.719 flat angles P-C4'-P energy: -50.772 tors. eta vs tors. theta energy: -28.407 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: 8 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -528.172728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.172728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.172728 (E_RNA) where: Base-Base interactions energy: -254.409 where: short stacking energy: -140.253 Base-Backbone interact. energy: -0.315 local terms energy: -273.448276 where: bonds (distance) C4'-P energy: -80.969 bonds (distance) P-C4' energy: -79.370 flat angles C4'-P-C4' energy: -77.086 flat angles P-C4'-P energy: -43.409 tors. eta vs tors. theta energy: 7.385 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: 1 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -514.342949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.342949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.342949 (E_RNA) where: Base-Base interactions energy: -255.510 where: short stacking energy: -140.150 Base-Backbone interact. energy: -0.099 local terms energy: -258.733727 where: bonds (distance) C4'-P energy: -83.316 bonds (distance) P-C4' energy: -76.445 flat angles C4'-P-C4' energy: -66.127 flat angles P-C4'-P energy: -35.493 tors. eta vs tors. theta energy: 2.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1498.572887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.572887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.572887 (E_RNA) where: Base-Base interactions energy: -971.406 where: short stacking energy: -476.593 Base-Backbone interact. energy: -0.897 local terms energy: -526.269956 where: bonds (distance) C4'-P energy: -98.856 bonds (distance) P-C4' energy: -97.151 flat angles C4'-P-C4' energy: -112.453 flat angles P-C4'-P energy: -74.758 tors. eta vs tors. theta energy: -143.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1425.815467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.815467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.815467 (E_RNA) where: Base-Base interactions energy: -964.795 where: short stacking energy: -436.169 Base-Backbone interact. energy: -1.826 local terms energy: -459.195050 where: bonds (distance) C4'-P energy: -93.695 bonds (distance) P-C4' energy: -86.358 flat angles C4'-P-C4' energy: -97.945 flat angles P-C4'-P energy: -64.334 tors. eta vs tors. theta energy: -116.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1278.003330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.003330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.003330 (E_RNA) where: Base-Base interactions energy: -817.187 where: short stacking energy: -418.316 Base-Backbone interact. energy: 1.261 local terms energy: -462.076482 where: bonds (distance) C4'-P energy: -90.998 bonds (distance) P-C4' energy: -79.389 flat angles C4'-P-C4' energy: -101.457 flat angles P-C4'-P energy: -68.167 tors. eta vs tors. theta energy: -122.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1235.738668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.738668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.738668 (E_RNA) where: Base-Base interactions energy: -796.673 where: short stacking energy: -356.459 Base-Backbone interact. energy: 1.872 local terms energy: -440.937524 where: bonds (distance) C4'-P energy: -83.972 bonds (distance) P-C4' energy: -96.437 flat angles C4'-P-C4' energy: -97.354 flat angles P-C4'-P energy: -64.778 tors. eta vs tors. theta energy: -98.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1095.440874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.440874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.440874 (E_RNA) where: Base-Base interactions energy: -695.118 where: short stacking energy: -321.177 Base-Backbone interact. energy: -1.582 local terms energy: -398.741307 where: bonds (distance) C4'-P energy: -93.123 bonds (distance) P-C4' energy: -74.684 flat angles C4'-P-C4' energy: -97.236 flat angles P-C4'-P energy: -49.614 tors. eta vs tors. theta energy: -84.084 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: 6 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1003.033761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.033761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.033761 (E_RNA) where: Base-Base interactions energy: -583.538 where: short stacking energy: -294.027 Base-Backbone interact. energy: -1.040 local terms energy: -418.456013 where: bonds (distance) C4'-P energy: -88.970 bonds (distance) P-C4' energy: -107.728 flat angles C4'-P-C4' energy: -104.016 flat angles P-C4'-P energy: -58.184 tors. eta vs tors. theta energy: -59.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -793.994459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.994459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.994459 (E_RNA) where: Base-Base interactions energy: -450.290 where: short stacking energy: -232.002 Base-Backbone interact. energy: -2.162 local terms energy: -341.542216 where: bonds (distance) C4'-P energy: -90.002 bonds (distance) P-C4' energy: -89.982 flat angles C4'-P-C4' energy: -75.813 flat angles P-C4'-P energy: -35.989 tors. eta vs tors. theta energy: -49.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -664.905957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.905957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.905957 (E_RNA) where: Base-Base interactions energy: -353.953 where: short stacking energy: -213.888 Base-Backbone interact. energy: 1.864 local terms energy: -312.817359 where: bonds (distance) C4'-P energy: -90.331 bonds (distance) P-C4' energy: -82.405 flat angles C4'-P-C4' energy: -74.132 flat angles P-C4'-P energy: -39.805 tors. eta vs tors. theta energy: -26.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -565.743541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.743541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.743541 (E_RNA) where: Base-Base interactions energy: -272.703 where: short stacking energy: -138.909 Base-Backbone interact. energy: -1.230 local terms energy: -291.810329 where: bonds (distance) C4'-P energy: -79.246 bonds (distance) P-C4' energy: -85.169 flat angles C4'-P-C4' energy: -84.978 flat angles P-C4'-P energy: -47.143 tors. eta vs tors. theta energy: 4.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -520.127104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.127104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.127104 (E_RNA) where: Base-Base interactions energy: -261.229 where: short stacking energy: -148.124 Base-Backbone interact. energy: -0.225 local terms energy: -258.673010 where: bonds (distance) C4'-P energy: -77.827 bonds (distance) P-C4' energy: -71.444 flat angles C4'-P-C4' energy: -73.424 flat angles P-C4'-P energy: -41.217 tors. eta vs tors. theta energy: 5.239 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: 9 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1512.292855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.292855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.292855 (E_RNA) where: Base-Base interactions energy: -991.080 where: short stacking energy: -478.652 Base-Backbone interact. energy: -2.822 local terms energy: -518.391202 where: bonds (distance) C4'-P energy: -93.861 bonds (distance) P-C4' energy: -100.674 flat angles C4'-P-C4' energy: -109.322 flat angles P-C4'-P energy: -74.964 tors. eta vs tors. theta energy: -139.570 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: 5 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -1430.787385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.787385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.787385 (E_RNA) where: Base-Base interactions energy: -922.493 where: short stacking energy: -428.478 Base-Backbone interact. energy: -4.489 local terms energy: -503.805668 where: bonds (distance) C4'-P energy: -94.607 bonds (distance) P-C4' energy: -97.900 flat angles C4'-P-C4' energy: -106.831 flat angles P-C4'-P energy: -76.322 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: 3 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1254.310890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.310890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.310890 (E_RNA) where: Base-Base interactions energy: -801.343 where: short stacking energy: -383.920 Base-Backbone interact. energy: 0.066 local terms energy: -453.033805 where: bonds (distance) C4'-P energy: -99.915 bonds (distance) P-C4' energy: -86.579 flat angles C4'-P-C4' energy: -102.872 flat angles P-C4'-P energy: -60.151 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: 2 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1211.099177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.099177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.099177 (E_RNA) where: Base-Base interactions energy: -800.731 where: short stacking energy: -350.480 Base-Backbone interact. energy: -3.115 local terms energy: -407.253731 where: bonds (distance) C4'-P energy: -80.317 bonds (distance) P-C4' energy: -75.267 flat angles C4'-P-C4' energy: -93.495 flat angles P-C4'-P energy: -66.334 tors. eta vs tors. theta energy: -91.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1109.264814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.264814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.264814 (E_RNA) where: Base-Base interactions energy: -712.428 where: short stacking energy: -329.532 Base-Backbone interact. energy: -4.441 local terms energy: -392.395728 where: bonds (distance) C4'-P energy: -92.319 bonds (distance) P-C4' energy: -78.842 flat angles C4'-P-C4' energy: -85.382 flat angles P-C4'-P energy: -47.778 tors. eta vs tors. theta energy: -88.074 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: 6 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -983.934402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.934402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.934402 (E_RNA) where: Base-Base interactions energy: -604.155 where: short stacking energy: -274.887 Base-Backbone interact. energy: -0.498 local terms energy: -379.281369 where: bonds (distance) C4'-P energy: -86.442 bonds (distance) P-C4' energy: -81.301 flat angles C4'-P-C4' energy: -83.441 flat angles P-C4'-P energy: -59.256 tors. eta vs tors. theta energy: -68.841 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: 7, replica: 4 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -800.559613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.559613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.559613 (E_RNA) where: Base-Base interactions energy: -487.671 where: short stacking energy: -240.599 Base-Backbone interact. energy: -0.767 local terms energy: -312.121569 where: bonds (distance) C4'-P energy: -71.264 bonds (distance) P-C4' energy: -78.541 flat angles C4'-P-C4' energy: -77.525 flat angles P-C4'-P energy: -39.131 tors. eta vs tors. theta energy: -45.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -698.080287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.080287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.080287 (E_RNA) where: Base-Base interactions energy: -367.226 where: short stacking energy: -205.809 Base-Backbone interact. energy: -1.170 local terms energy: -329.684447 where: bonds (distance) C4'-P energy: -95.177 bonds (distance) P-C4' energy: -79.717 flat angles C4'-P-C4' energy: -72.419 flat angles P-C4'-P energy: -49.907 tors. eta vs tors. theta energy: -32.465 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: 8 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -583.100639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.100639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.100639 (E_RNA) where: Base-Base interactions energy: -307.853 where: short stacking energy: -166.855 Base-Backbone interact. energy: 0.020 local terms energy: -275.267445 where: bonds (distance) C4'-P energy: -83.217 bonds (distance) P-C4' energy: -74.031 flat angles C4'-P-C4' energy: -72.012 flat angles P-C4'-P energy: -41.110 tors. eta vs tors. theta energy: -4.897 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: 1 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -531.294356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.294356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.294356 (E_RNA) where: Base-Base interactions energy: -267.406 where: short stacking energy: -151.818 Base-Backbone interact. energy: 3.390 local terms energy: -267.278420 where: bonds (distance) C4'-P energy: -81.771 bonds (distance) P-C4' energy: -72.887 flat angles C4'-P-C4' energy: -67.779 flat angles P-C4'-P energy: -42.755 tors. eta vs tors. theta energy: -2.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1484.901501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.901501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.901501 (E_RNA) where: Base-Base interactions energy: -969.956 where: short stacking energy: -445.438 Base-Backbone interact. energy: 0.163 local terms energy: -515.108677 where: bonds (distance) C4'-P energy: -89.500 bonds (distance) P-C4' energy: -103.782 flat angles C4'-P-C4' energy: -110.025 flat angles P-C4'-P energy: -76.096 tors. eta vs tors. theta energy: -135.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1424.499117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.499117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.499117 (E_RNA) where: Base-Base interactions energy: -934.805 where: short stacking energy: -431.044 Base-Backbone interact. energy: 2.947 local terms energy: -492.641356 where: bonds (distance) C4'-P energy: -92.283 bonds (distance) P-C4' energy: -102.300 flat angles C4'-P-C4' energy: -107.833 flat angles P-C4'-P energy: -60.402 tors. eta vs tors. theta energy: -129.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1258.899746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.899746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.899746 (E_RNA) where: Base-Base interactions energy: -810.218 where: short stacking energy: -394.064 Base-Backbone interact. energy: -1.898 local terms energy: -446.784003 where: bonds (distance) C4'-P energy: -80.058 bonds (distance) P-C4' energy: -107.746 flat angles C4'-P-C4' energy: -96.088 flat angles P-C4'-P energy: -63.975 tors. eta vs tors. theta energy: -98.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1235.717883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.717883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.717883 (E_RNA) where: Base-Base interactions energy: -802.640 where: short stacking energy: -360.148 Base-Backbone interact. energy: 0.494 local terms energy: -433.572015 where: bonds (distance) C4'-P energy: -76.964 bonds (distance) P-C4' energy: -90.394 flat angles C4'-P-C4' energy: -98.520 flat angles P-C4'-P energy: -60.136 tors. eta vs tors. theta energy: -107.557 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: 5, replica: 10 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1149.309566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.309566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.309566 (E_RNA) where: Base-Base interactions energy: -758.439 where: short stacking energy: -348.781 Base-Backbone interact. energy: -3.102 local terms energy: -387.767896 where: bonds (distance) C4'-P energy: -85.948 bonds (distance) P-C4' energy: -79.153 flat angles C4'-P-C4' energy: -96.417 flat angles P-C4'-P energy: -45.774 tors. eta vs tors. theta energy: -80.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1002.924029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.924029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.924029 (E_RNA) where: Base-Base interactions energy: -597.727 where: short stacking energy: -291.009 Base-Backbone interact. energy: -1.106 local terms energy: -404.090390 where: bonds (distance) C4'-P energy: -94.235 bonds (distance) P-C4' energy: -86.909 flat angles C4'-P-C4' energy: -93.642 flat angles P-C4'-P energy: -63.015 tors. eta vs tors. theta energy: -66.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -844.135098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.135098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.135098 (E_RNA) where: Base-Base interactions energy: -475.922 where: short stacking energy: -244.707 Base-Backbone interact. energy: -2.114 local terms energy: -366.099306 where: bonds (distance) C4'-P energy: -87.665 bonds (distance) P-C4' energy: -103.052 flat angles C4'-P-C4' energy: -77.577 flat angles P-C4'-P energy: -50.836 tors. eta vs tors. theta energy: -46.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -648.284591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.284591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.284591 (E_RNA) where: Base-Base interactions energy: -341.202 where: short stacking energy: -166.843 Base-Backbone interact. energy: 2.332 local terms energy: -309.413864 where: bonds (distance) C4'-P energy: -94.061 bonds (distance) P-C4' energy: -76.224 flat angles C4'-P-C4' energy: -78.811 flat angles P-C4'-P energy: -51.304 tors. eta vs tors. theta energy: -9.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -504.781419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.781419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.781419 (E_RNA) where: Base-Base interactions energy: -232.083 where: short stacking energy: -136.304 Base-Backbone interact. energy: 1.223 local terms energy: -273.921442 where: bonds (distance) C4'-P energy: -71.691 bonds (distance) P-C4' energy: -87.037 flat angles C4'-P-C4' energy: -67.994 flat angles P-C4'-P energy: -49.622 tors. eta vs tors. theta energy: 2.423 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: 1 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -514.424834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.424834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.424834 (E_RNA) where: Base-Base interactions energy: -254.789 where: short stacking energy: -159.423 Base-Backbone interact. energy: 0.938 local terms energy: -260.573991 where: bonds (distance) C4'-P energy: -76.913 bonds (distance) P-C4' energy: -86.480 flat angles C4'-P-C4' energy: -73.604 flat angles P-C4'-P energy: -19.830 tors. eta vs tors. theta energy: -3.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1496.417052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.417052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.417052 (E_RNA) where: Base-Base interactions energy: -1015.456 where: short stacking energy: -474.138 Base-Backbone interact. energy: -3.179 local terms energy: -477.782458 where: bonds (distance) C4'-P energy: -82.292 bonds (distance) P-C4' energy: -95.194 flat angles C4'-P-C4' energy: -108.327 flat angles P-C4'-P energy: -62.422 tors. eta vs tors. theta energy: -129.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1418.158789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.158789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.158789 (E_RNA) where: Base-Base interactions energy: -958.843 where: short stacking energy: -407.733 Base-Backbone interact. energy: -2.402 local terms energy: -456.914133 where: bonds (distance) C4'-P energy: -100.352 bonds (distance) P-C4' energy: -94.339 flat angles C4'-P-C4' energy: -93.164 flat angles P-C4'-P energy: -59.522 tors. eta vs tors. theta energy: -109.537 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: 3 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1307.885523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.885523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.885523 (E_RNA) where: Base-Base interactions energy: -839.104 where: short stacking energy: -369.527 Base-Backbone interact. energy: -1.281 local terms energy: -467.500453 where: bonds (distance) C4'-P energy: -90.837 bonds (distance) P-C4' energy: -98.339 flat angles C4'-P-C4' energy: -100.017 flat angles P-C4'-P energy: -66.748 tors. eta vs tors. theta energy: -111.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -1232.231543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.231543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.231543 (E_RNA) where: Base-Base interactions energy: -814.919 where: short stacking energy: -384.050 Base-Backbone interact. energy: -0.294 local terms energy: -417.018908 where: bonds (distance) C4'-P energy: -83.913 bonds (distance) P-C4' energy: -81.922 flat angles C4'-P-C4' energy: -86.540 flat angles P-C4'-P energy: -63.670 tors. eta vs tors. theta energy: -100.973 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: 10 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -1140.467526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.467526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.467526 (E_RNA) where: Base-Base interactions energy: -704.470 where: short stacking energy: -336.134 Base-Backbone interact. energy: -2.521 local terms energy: -433.476376 where: bonds (distance) C4'-P energy: -104.552 bonds (distance) P-C4' energy: -87.741 flat angles C4'-P-C4' energy: -88.595 flat angles P-C4'-P energy: -53.909 tors. eta vs tors. theta energy: -98.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -995.749758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.749758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.749758 (E_RNA) where: Base-Base interactions energy: -613.629 where: short stacking energy: -299.906 Base-Backbone interact. energy: 5.146 local terms energy: -387.266700 where: bonds (distance) C4'-P energy: -71.743 bonds (distance) P-C4' energy: -95.893 flat angles C4'-P-C4' energy: -88.108 flat angles P-C4'-P energy: -58.041 tors. eta vs tors. theta energy: -73.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -891.598017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.598017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.598017 (E_RNA) where: Base-Base interactions energy: -537.390 where: short stacking energy: -241.990 Base-Backbone interact. energy: 2.145 local terms energy: -356.353619 where: bonds (distance) C4'-P energy: -95.124 bonds (distance) P-C4' energy: -86.261 flat angles C4'-P-C4' energy: -93.054 flat angles P-C4'-P energy: -34.524 tors. eta vs tors. theta energy: -47.391 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: 7 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -699.930571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.930571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.930571 (E_RNA) where: Base-Base interactions energy: -370.168 where: short stacking energy: -201.345 Base-Backbone interact. energy: 2.364 local terms energy: -332.126973 where: bonds (distance) C4'-P energy: -84.942 bonds (distance) P-C4' energy: -94.161 flat angles C4'-P-C4' energy: -75.259 flat angles P-C4'-P energy: -45.749 tors. eta vs tors. theta energy: -32.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -516.640746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.640746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.640746 (E_RNA) where: Base-Base interactions energy: -237.917 where: short stacking energy: -145.437 Base-Backbone interact. energy: 2.593 local terms energy: -281.317278 where: bonds (distance) C4'-P energy: -79.032 bonds (distance) P-C4' energy: -86.309 flat angles C4'-P-C4' energy: -75.005 flat angles P-C4'-P energy: -39.984 tors. eta vs tors. theta energy: -0.988 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: 1 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -506.131425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.131425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.131425 (E_RNA) where: Base-Base interactions energy: -237.461 where: short stacking energy: -129.544 Base-Backbone interact. energy: 5.690 local terms energy: -274.360710 where: bonds (distance) C4'-P energy: -74.808 bonds (distance) P-C4' energy: -93.441 flat angles C4'-P-C4' energy: -66.949 flat angles P-C4'-P energy: -46.301 tors. eta vs tors. theta energy: 7.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1443.910382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.910382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.910382 (E_RNA) where: Base-Base interactions energy: -957.368 where: short stacking energy: -444.936 Base-Backbone interact. energy: -1.072 local terms energy: -485.470520 where: bonds (distance) C4'-P energy: -95.666 bonds (distance) P-C4' energy: -97.339 flat angles C4'-P-C4' energy: -103.704 flat angles P-C4'-P energy: -67.654 tors. eta vs tors. theta energy: -121.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1453.207155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.207155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.207155 (E_RNA) where: Base-Base interactions energy: -986.795 where: short stacking energy: -416.276 Base-Backbone interact. energy: -2.305 local terms energy: -464.107205 where: bonds (distance) C4'-P energy: -87.403 bonds (distance) P-C4' energy: -91.749 flat angles C4'-P-C4' energy: -108.389 flat angles P-C4'-P energy: -68.588 tors. eta vs tors. theta energy: -107.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1295.260635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.260635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.260635 (E_RNA) where: Base-Base interactions energy: -828.547 where: short stacking energy: -398.214 Base-Backbone interact. energy: 1.004 local terms energy: -467.718002 where: bonds (distance) C4'-P energy: -85.866 bonds (distance) P-C4' energy: -90.869 flat angles C4'-P-C4' energy: -103.274 flat angles P-C4'-P energy: -76.395 tors. eta vs tors. theta energy: -111.314 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: 2 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1208.957794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.957794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.957794 (E_RNA) where: Base-Base interactions energy: -764.655 where: short stacking energy: -357.953 Base-Backbone interact. energy: -0.445 local terms energy: -443.857746 where: bonds (distance) C4'-P energy: -83.470 bonds (distance) P-C4' energy: -93.962 flat angles C4'-P-C4' energy: -92.027 flat angles P-C4'-P energy: -68.732 tors. eta vs tors. theta energy: -105.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -1111.825021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.825021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.825021 (E_RNA) where: Base-Base interactions energy: -721.769 where: short stacking energy: -298.822 Base-Backbone interact. energy: -0.398 local terms energy: -389.657470 where: bonds (distance) C4'-P energy: -75.426 bonds (distance) P-C4' energy: -86.529 flat angles C4'-P-C4' energy: -97.743 flat angles P-C4'-P energy: -57.095 tors. eta vs tors. theta energy: -72.865 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: 6, replica: 6 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -930.046628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.046628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.046628 (E_RNA) where: Base-Base interactions energy: -540.720 where: short stacking energy: -267.734 Base-Backbone interact. energy: -1.640 local terms energy: -387.686441 where: bonds (distance) C4'-P energy: -79.015 bonds (distance) P-C4' energy: -98.407 flat angles C4'-P-C4' energy: -88.359 flat angles P-C4'-P energy: -55.717 tors. eta vs tors. theta energy: -66.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -898.159393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.159393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.159393 (E_RNA) where: Base-Base interactions energy: -530.792 where: short stacking energy: -258.867 Base-Backbone interact. energy: 0.196 local terms energy: -367.564353 where: bonds (distance) C4'-P energy: -93.701 bonds (distance) P-C4' energy: -94.729 flat angles C4'-P-C4' energy: -83.257 flat angles P-C4'-P energy: -38.475 tors. eta vs tors. theta energy: -57.401 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: 223 Temperature: 1.250000 Total energy: -707.140499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.140499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.140499 (E_RNA) where: Base-Base interactions energy: -401.311 where: short stacking energy: -202.289 Base-Backbone interact. energy: 1.055 local terms energy: -306.883998 where: bonds (distance) C4'-P energy: -79.968 bonds (distance) P-C4' energy: -87.506 flat angles C4'-P-C4' energy: -66.910 flat angles P-C4'-P energy: -44.736 tors. eta vs tors. theta energy: -27.764 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: 8 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -529.989874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.989874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.989874 (E_RNA) where: Base-Base interactions energy: -236.596 where: short stacking energy: -148.814 Base-Backbone interact. energy: 1.663 local terms energy: -295.056639 where: bonds (distance) C4'-P energy: -84.813 bonds (distance) P-C4' energy: -84.095 flat angles C4'-P-C4' energy: -64.684 flat angles P-C4'-P energy: -54.811 tors. eta vs tors. theta energy: -6.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -560.267022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.267022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.267022 (E_RNA) where: Base-Base interactions energy: -297.319 where: short stacking energy: -154.589 Base-Backbone interact. energy: -2.668 local terms energy: -260.280352 where: bonds (distance) C4'-P energy: -70.647 bonds (distance) P-C4' energy: -83.743 flat angles C4'-P-C4' energy: -73.364 flat angles P-C4'-P energy: -33.092 tors. eta vs tors. theta energy: 0.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1448.099163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.099163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.099163 (E_RNA) where: Base-Base interactions energy: -959.930 where: short stacking energy: -406.133 Base-Backbone interact. energy: -1.787 local terms energy: -486.382145 where: bonds (distance) C4'-P energy: -99.190 bonds (distance) P-C4' energy: -106.744 flat angles C4'-P-C4' energy: -108.577 flat angles P-C4'-P energy: -66.806 tors. eta vs tors. theta energy: -105.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1410.510496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.510496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.510496 (E_RNA) where: Base-Base interactions energy: -946.793 where: short stacking energy: -416.494 Base-Backbone interact. energy: -1.551 local terms energy: -462.166561 where: bonds (distance) C4'-P energy: -82.874 bonds (distance) P-C4' energy: -99.190 flat angles C4'-P-C4' energy: -110.309 flat angles P-C4'-P energy: -60.625 tors. eta vs tors. theta energy: -109.168 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: 3 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1270.293976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.293976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.293976 (E_RNA) where: Base-Base interactions energy: -807.245 where: short stacking energy: -395.659 Base-Backbone interact. energy: -1.393 local terms energy: -461.655538 where: bonds (distance) C4'-P energy: -77.540 bonds (distance) P-C4' energy: -99.512 flat angles C4'-P-C4' energy: -99.683 flat angles P-C4'-P energy: -73.113 tors. eta vs tors. theta energy: -111.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1277.268629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.268629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.268629 (E_RNA) where: Base-Base interactions energy: -842.085 where: short stacking energy: -369.565 Base-Backbone interact. energy: -3.739 local terms energy: -431.445144 where: bonds (distance) C4'-P energy: -77.407 bonds (distance) P-C4' energy: -92.156 flat angles C4'-P-C4' energy: -95.223 flat angles P-C4'-P energy: -64.752 tors. eta vs tors. theta energy: -101.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1129.181505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.181505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.181505 (E_RNA) where: Base-Base interactions energy: -701.614 where: short stacking energy: -353.583 Base-Backbone interact. energy: -2.075 local terms energy: -425.492295 where: bonds (distance) C4'-P energy: -84.908 bonds (distance) P-C4' energy: -81.640 flat angles C4'-P-C4' energy: -103.502 flat angles P-C4'-P energy: -55.892 tors. eta vs tors. theta energy: -99.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -916.798552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.798552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.798552 (E_RNA) where: Base-Base interactions energy: -552.562 where: short stacking energy: -281.540 Base-Backbone interact. energy: 0.479 local terms energy: -364.715543 where: bonds (distance) C4'-P energy: -69.777 bonds (distance) P-C4' energy: -89.856 flat angles C4'-P-C4' energy: -93.798 flat angles P-C4'-P energy: -46.620 tors. eta vs tors. theta energy: -64.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -852.413768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.413768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.413768 (E_RNA) where: Base-Base interactions energy: -506.139 where: short stacking energy: -246.860 Base-Backbone interact. energy: 0.029 local terms energy: -346.303643 where: bonds (distance) C4'-P energy: -85.689 bonds (distance) P-C4' energy: -90.833 flat angles C4'-P-C4' energy: -77.581 flat angles P-C4'-P energy: -47.652 tors. eta vs tors. theta energy: -44.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -715.523547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.523547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.523547 (E_RNA) where: Base-Base interactions energy: -394.295 where: short stacking energy: -199.824 Base-Backbone interact. energy: 5.289 local terms energy: -326.518306 where: bonds (distance) C4'-P energy: -80.848 bonds (distance) P-C4' energy: -88.211 flat angles C4'-P-C4' energy: -74.739 flat angles P-C4'-P energy: -40.770 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: 9, replica: 1 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -527.476428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.476428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.476428 (E_RNA) where: Base-Base interactions energy: -260.064 where: short stacking energy: -149.027 Base-Backbone interact. energy: 0.336 local terms energy: -267.749024 where: bonds (distance) C4'-P energy: -71.744 bonds (distance) P-C4' energy: -89.221 flat angles C4'-P-C4' energy: -49.767 flat angles P-C4'-P energy: -50.526 tors. eta vs tors. theta energy: -6.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -498.811029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.811029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.811029 (E_RNA) where: Base-Base interactions energy: -270.837 where: short stacking energy: -126.604 Base-Backbone interact. energy: -0.299 local terms energy: -227.675348 where: bonds (distance) C4'-P energy: -62.244 bonds (distance) P-C4' energy: -64.269 flat angles C4'-P-C4' energy: -61.399 flat angles P-C4'-P energy: -42.010 tors. eta vs tors. theta energy: 2.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1495.551569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.551569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.551569 (E_RNA) where: Base-Base interactions energy: -1001.951 where: short stacking energy: -448.259 Base-Backbone interact. energy: -1.295 local terms energy: -492.305823 where: bonds (distance) C4'-P energy: -100.780 bonds (distance) P-C4' energy: -97.930 flat angles C4'-P-C4' energy: -100.323 flat angles P-C4'-P energy: -73.727 tors. eta vs tors. theta energy: -119.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1391.104969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.104969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.104969 (E_RNA) where: Base-Base interactions energy: -935.333 where: short stacking energy: -423.873 Base-Backbone interact. energy: 2.814 local terms energy: -458.585704 where: bonds (distance) C4'-P energy: -83.058 bonds (distance) P-C4' energy: -91.534 flat angles C4'-P-C4' energy: -98.025 flat angles P-C4'-P energy: -60.061 tors. eta vs tors. theta energy: -125.908 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: 3 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1263.829316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.829316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.829316 (E_RNA) where: Base-Base interactions energy: -813.676 where: short stacking energy: -386.391 Base-Backbone interact. energy: 2.869 local terms energy: -453.022906 where: bonds (distance) C4'-P energy: -84.040 bonds (distance) P-C4' energy: -79.198 flat angles C4'-P-C4' energy: -106.613 flat angles P-C4'-P energy: -74.521 tors. eta vs tors. theta energy: -108.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1288.096144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.096144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.096144 (E_RNA) where: Base-Base interactions energy: -829.625 where: short stacking energy: -385.957 Base-Backbone interact. energy: -1.729 local terms energy: -456.742298 where: bonds (distance) C4'-P energy: -102.967 bonds (distance) P-C4' energy: -86.759 flat angles C4'-P-C4' energy: -104.182 flat angles P-C4'-P energy: -52.992 tors. eta vs tors. theta energy: -109.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -1115.745620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.745620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.745620 (E_RNA) where: Base-Base interactions energy: -714.124 where: short stacking energy: -354.761 Base-Backbone interact. energy: 1.731 local terms energy: -403.353152 where: bonds (distance) C4'-P energy: -91.460 bonds (distance) P-C4' energy: -86.755 flat angles C4'-P-C4' energy: -81.569 flat angles P-C4'-P energy: -56.598 tors. eta vs tors. theta energy: -86.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -909.805514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.805514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.805514 (E_RNA) where: Base-Base interactions energy: -536.237 where: short stacking energy: -273.805 Base-Backbone interact. energy: -2.904 local terms energy: -370.664579 where: bonds (distance) C4'-P energy: -73.035 bonds (distance) P-C4' energy: -93.922 flat angles C4'-P-C4' energy: -85.938 flat angles P-C4'-P energy: -59.137 tors. eta vs tors. theta energy: -58.632 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: 4 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -845.505655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.505655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.505655 (E_RNA) where: Base-Base interactions energy: -507.109 where: short stacking energy: -241.203 Base-Backbone interact. energy: -2.048 local terms energy: -336.348876 where: bonds (distance) C4'-P energy: -81.099 bonds (distance) P-C4' energy: -83.604 flat angles C4'-P-C4' energy: -78.386 flat angles P-C4'-P energy: -51.311 tors. eta vs tors. theta energy: -41.948 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: 7 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -726.055902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.055902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.055902 (E_RNA) where: Base-Base interactions energy: -392.361 where: short stacking energy: -197.819 Base-Backbone interact. energy: -0.230 local terms energy: -333.464661 where: bonds (distance) C4'-P energy: -72.973 bonds (distance) P-C4' energy: -89.378 flat angles C4'-P-C4' energy: -91.946 flat angles P-C4'-P energy: -55.771 tors. eta vs tors. theta energy: -23.397 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: 9, replica: 1 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -535.288287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.288287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.288287 (E_RNA) where: Base-Base interactions energy: -252.555 where: short stacking energy: -159.509 Base-Backbone interact. energy: 3.196 local terms energy: -285.928797 where: bonds (distance) C4'-P energy: -85.372 bonds (distance) P-C4' energy: -84.544 flat angles C4'-P-C4' energy: -63.556 flat angles P-C4'-P energy: -37.465 tors. eta vs tors. theta energy: -14.992 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: 8 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -479.247722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.247722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.247722 (E_RNA) where: Base-Base interactions energy: -226.433 where: short stacking energy: -128.688 Base-Backbone interact. energy: -2.970 local terms energy: -249.845153 where: bonds (distance) C4'-P energy: -64.144 bonds (distance) P-C4' energy: -77.846 flat angles C4'-P-C4' energy: -64.975 flat angles P-C4'-P energy: -45.691 tors. eta vs tors. theta energy: 2.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1477.382058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.382058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.382058 (E_RNA) where: Base-Base interactions energy: -989.312 where: short stacking energy: -434.253 Base-Backbone interact. energy: -2.127 local terms energy: -485.943300 where: bonds (distance) C4'-P energy: -88.928 bonds (distance) P-C4' energy: -105.363 flat angles C4'-P-C4' energy: -110.467 flat angles P-C4'-P energy: -66.014 tors. eta vs tors. theta energy: -115.171 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: 9 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1402.585795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.585795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.585795 (E_RNA) where: Base-Base interactions energy: -929.243 where: short stacking energy: -419.800 Base-Backbone interact. energy: -0.427 local terms energy: -472.915781 where: bonds (distance) C4'-P energy: -84.585 bonds (distance) P-C4' energy: -99.655 flat angles C4'-P-C4' energy: -107.961 flat angles P-C4'-P energy: -59.533 tors. eta vs tors. theta energy: -121.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1357.561331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.561331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.561331 (E_RNA) where: Base-Base interactions energy: -898.131 where: short stacking energy: -400.870 Base-Backbone interact. energy: -2.770 local terms energy: -456.661213 where: bonds (distance) C4'-P energy: -80.226 bonds (distance) P-C4' energy: -92.262 flat angles C4'-P-C4' energy: -105.359 flat angles P-C4'-P energy: -70.980 tors. eta vs tors. theta energy: -107.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1246.129305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.129305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.129305 (E_RNA) where: Base-Base interactions energy: -763.578 where: short stacking energy: -378.801 Base-Backbone interact. energy: 0.831 local terms energy: -483.382662 where: bonds (distance) C4'-P energy: -94.021 bonds (distance) P-C4' energy: -96.129 flat angles C4'-P-C4' energy: -107.972 flat angles P-C4'-P energy: -80.597 tors. eta vs tors. theta energy: -104.662 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: 10 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1101.451203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.451203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.451203 (E_RNA) where: Base-Base interactions energy: -696.802 where: short stacking energy: -305.771 Base-Backbone interact. energy: -2.695 local terms energy: -401.954237 where: bonds (distance) C4'-P energy: -84.381 bonds (distance) P-C4' energy: -77.166 flat angles C4'-P-C4' energy: -101.557 flat angles P-C4'-P energy: -63.880 tors. eta vs tors. theta energy: -74.970 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: 6 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -946.243366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.243366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.243366 (E_RNA) where: Base-Base interactions energy: -564.179 where: short stacking energy: -287.232 Base-Backbone interact. energy: -2.397 local terms energy: -379.667425 where: bonds (distance) C4'-P energy: -82.665 bonds (distance) P-C4' energy: -88.836 flat angles C4'-P-C4' energy: -86.864 flat angles P-C4'-P energy: -55.509 tors. eta vs tors. theta energy: -65.793 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: 4 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -801.865899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.865899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.865899 (E_RNA) where: Base-Base interactions energy: -472.754 where: short stacking energy: -237.251 Base-Backbone interact. energy: -1.983 local terms energy: -327.129424 where: bonds (distance) C4'-P energy: -79.478 bonds (distance) P-C4' energy: -89.244 flat angles C4'-P-C4' energy: -80.418 flat angles P-C4'-P energy: -42.030 tors. eta vs tors. theta energy: -35.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -662.220351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.220351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.220351 (E_RNA) where: Base-Base interactions energy: -358.830 where: short stacking energy: -190.327 Base-Backbone interact. energy: -0.508 local terms energy: -302.881840 where: bonds (distance) C4'-P energy: -80.832 bonds (distance) P-C4' energy: -98.962 flat angles C4'-P-C4' energy: -71.222 flat angles P-C4'-P energy: -27.423 tors. eta vs tors. theta energy: -24.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -530.436079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.436079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.436079 (E_RNA) where: Base-Base interactions energy: -251.457 where: short stacking energy: -159.661 Base-Backbone interact. energy: -1.583 local terms energy: -277.395615 where: bonds (distance) C4'-P energy: -76.855 bonds (distance) P-C4' energy: -80.177 flat angles C4'-P-C4' energy: -76.492 flat angles P-C4'-P energy: -46.588 tors. eta vs tors. theta energy: 2.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -480.563769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.563769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.563769 (E_RNA) where: Base-Base interactions energy: -207.951 where: short stacking energy: -126.821 Base-Backbone interact. energy: 0.344 local terms energy: -272.956854 where: bonds (distance) C4'-P energy: -76.666 bonds (distance) P-C4' energy: -72.554 flat angles C4'-P-C4' energy: -76.054 flat angles P-C4'-P energy: -50.773 tors. eta vs tors. theta energy: 3.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1477.447195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.447195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.447195 (E_RNA) where: Base-Base interactions energy: -976.942 where: short stacking energy: -427.039 Base-Backbone interact. energy: -3.442 local terms energy: -497.062960 where: bonds (distance) C4'-P energy: -97.857 bonds (distance) P-C4' energy: -93.315 flat angles C4'-P-C4' energy: -112.348 flat angles P-C4'-P energy: -75.865 tors. eta vs tors. theta energy: -117.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1445.872542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.872542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.872542 (E_RNA) where: Base-Base interactions energy: -961.504 where: short stacking energy: -430.601 Base-Backbone interact. energy: -1.818 local terms energy: -482.550119 where: bonds (distance) C4'-P energy: -93.176 bonds (distance) P-C4' energy: -95.653 flat angles C4'-P-C4' energy: -100.963 flat angles P-C4'-P energy: -70.407 tors. eta vs tors. theta energy: -122.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1342.179365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.179365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.179365 (E_RNA) where: Base-Base interactions energy: -872.704 where: short stacking energy: -385.503 Base-Backbone interact. energy: -0.856 local terms energy: -468.619509 where: bonds (distance) C4'-P energy: -99.391 bonds (distance) P-C4' energy: -95.529 flat angles C4'-P-C4' energy: -93.888 flat angles P-C4'-P energy: -66.876 tors. eta vs tors. theta energy: -112.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1186.278322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.278322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.278322 (E_RNA) where: Base-Base interactions energy: -738.654 where: short stacking energy: -357.891 Base-Backbone interact. energy: -2.594 local terms energy: -445.030598 where: bonds (distance) C4'-P energy: -84.650 bonds (distance) P-C4' energy: -104.910 flat angles C4'-P-C4' energy: -97.388 flat angles P-C4'-P energy: -66.245 tors. eta vs tors. theta energy: -91.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -1136.097891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.097891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.097891 (E_RNA) where: Base-Base interactions energy: -740.010 where: short stacking energy: -324.846 Base-Backbone interact. energy: 0.140 local terms energy: -396.228035 where: bonds (distance) C4'-P energy: -83.140 bonds (distance) P-C4' energy: -86.309 flat angles C4'-P-C4' energy: -95.949 flat angles P-C4'-P energy: -54.019 tors. eta vs tors. theta energy: -76.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -943.447080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.447080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.447080 (E_RNA) where: Base-Base interactions energy: -564.867 where: short stacking energy: -284.054 Base-Backbone interact. energy: -0.768 local terms energy: -377.811560 where: bonds (distance) C4'-P energy: -81.216 bonds (distance) P-C4' energy: -81.174 flat angles C4'-P-C4' energy: -93.830 flat angles P-C4'-P energy: -56.128 tors. eta vs tors. theta energy: -65.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -798.299385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.299385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.299385 (E_RNA) where: Base-Base interactions energy: -466.802 where: short stacking energy: -230.943 Base-Backbone interact. energy: -1.775 local terms energy: -329.722538 where: bonds (distance) C4'-P energy: -73.285 bonds (distance) P-C4' energy: -81.587 flat angles C4'-P-C4' energy: -74.394 flat angles P-C4'-P energy: -54.716 tors. eta vs tors. theta energy: -45.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -742.189909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.189909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.189909 (E_RNA) where: Base-Base interactions energy: -407.680 where: short stacking energy: -234.185 Base-Backbone interact. energy: -2.515 local terms energy: -331.995288 where: bonds (distance) C4'-P energy: -69.431 bonds (distance) P-C4' energy: -82.525 flat angles C4'-P-C4' energy: -88.798 flat angles P-C4'-P energy: -42.514 tors. eta vs tors. theta energy: -48.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -525.861756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.861756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.861756 (E_RNA) where: Base-Base interactions energy: -247.994 where: short stacking energy: -146.211 Base-Backbone interact. energy: 1.914 local terms energy: -279.782373 where: bonds (distance) C4'-P energy: -89.172 bonds (distance) P-C4' energy: -76.757 flat angles C4'-P-C4' energy: -86.610 flat angles P-C4'-P energy: -33.054 tors. eta vs tors. theta energy: 5.810 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: 8 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -476.390636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.390636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.390636 (E_RNA) where: Base-Base interactions energy: -198.375 where: short stacking energy: -122.890 Base-Backbone interact. energy: -1.935 local terms energy: -276.080983 where: bonds (distance) C4'-P energy: -70.500 bonds (distance) P-C4' energy: -85.455 flat angles C4'-P-C4' energy: -70.342 flat angles P-C4'-P energy: -61.366 tors. eta vs tors. theta energy: 11.582 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: 1, replica: 5 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1488.657848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.657848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.657848 (E_RNA) where: Base-Base interactions energy: -972.498 where: short stacking energy: -434.996 Base-Backbone interact. energy: -1.073 local terms energy: -515.086797 where: bonds (distance) C4'-P energy: -104.637 bonds (distance) P-C4' energy: -98.293 flat angles C4'-P-C4' energy: -114.580 flat angles P-C4'-P energy: -73.504 tors. eta vs tors. theta energy: -124.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1387.401002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.401002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.401002 (E_RNA) where: Base-Base interactions energy: -907.265 where: short stacking energy: -419.227 Base-Backbone interact. energy: -1.044 local terms energy: -479.091829 where: bonds (distance) C4'-P energy: -95.145 bonds (distance) P-C4' energy: -104.209 flat angles C4'-P-C4' energy: -104.343 flat angles P-C4'-P energy: -59.013 tors. eta vs tors. theta energy: -116.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1339.841538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.841538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.841538 (E_RNA) where: Base-Base interactions energy: -870.969 where: short stacking energy: -399.674 Base-Backbone interact. energy: -1.103 local terms energy: -467.769253 where: bonds (distance) C4'-P energy: -87.854 bonds (distance) P-C4' energy: -95.238 flat angles C4'-P-C4' energy: -97.974 flat angles P-C4'-P energy: -65.824 tors. eta vs tors. theta energy: -120.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1201.196596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.196596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.196596 (E_RNA) where: Base-Base interactions energy: -749.107 where: short stacking energy: -364.420 Base-Backbone interact. energy: -1.148 local terms energy: -450.941974 where: bonds (distance) C4'-P energy: -96.818 bonds (distance) P-C4' energy: -91.692 flat angles C4'-P-C4' energy: -101.005 flat angles P-C4'-P energy: -69.095 tors. eta vs tors. theta energy: -92.332 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: 3 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -1120.012198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.012198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.012198 (E_RNA) where: Base-Base interactions energy: -707.488 where: short stacking energy: -340.111 Base-Backbone interact. energy: 0.482 local terms energy: -413.006902 where: bonds (distance) C4'-P energy: -87.963 bonds (distance) P-C4' energy: -84.596 flat angles C4'-P-C4' energy: -96.107 flat angles P-C4'-P energy: -61.686 tors. eta vs tors. theta energy: -82.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -926.274063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.274063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.274063 (E_RNA) where: Base-Base interactions energy: -549.652 where: short stacking energy: -279.598 Base-Backbone interact. energy: 2.326 local terms energy: -378.948286 where: bonds (distance) C4'-P energy: -76.200 bonds (distance) P-C4' energy: -84.166 flat angles C4'-P-C4' energy: -103.081 flat angles P-C4'-P energy: -56.376 tors. eta vs tors. theta energy: -59.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -809.435226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.435226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.435226 (E_RNA) where: Base-Base interactions energy: -491.239 where: short stacking energy: -224.872 Base-Backbone interact. energy: -0.110 local terms energy: -318.086680 where: bonds (distance) C4'-P energy: -83.470 bonds (distance) P-C4' energy: -72.076 flat angles C4'-P-C4' energy: -79.001 flat angles P-C4'-P energy: -53.093 tors. eta vs tors. theta energy: -30.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -732.070514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.070514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.070514 (E_RNA) where: Base-Base interactions energy: -423.744 where: short stacking energy: -196.130 Base-Backbone interact. energy: 0.914 local terms energy: -309.240346 where: bonds (distance) C4'-P energy: -78.928 bonds (distance) P-C4' energy: -85.744 flat angles C4'-P-C4' energy: -79.214 flat angles P-C4'-P energy: -50.657 tors. eta vs tors. theta energy: -14.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -557.105255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.105255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.105255 (E_RNA) where: Base-Base interactions energy: -283.198 where: short stacking energy: -164.576 Base-Backbone interact. energy: 0.883 local terms energy: -274.790372 where: bonds (distance) C4'-P energy: -74.934 bonds (distance) P-C4' energy: -86.334 flat angles C4'-P-C4' energy: -74.402 flat angles P-C4'-P energy: -33.315 tors. eta vs tors. theta energy: -5.805 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: 8 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -501.772715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.772715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.772715 (E_RNA) where: Base-Base interactions energy: -250.071 where: short stacking energy: -131.443 Base-Backbone interact. energy: -2.019 local terms energy: -249.682479 where: bonds (distance) C4'-P energy: -76.545 bonds (distance) P-C4' energy: -71.034 flat angles C4'-P-C4' energy: -67.449 flat angles P-C4'-P energy: -37.484 tors. eta vs tors. theta energy: 2.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1509.596177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.596177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.596177 (E_RNA) where: Base-Base interactions energy: -1021.903 where: short stacking energy: -457.131 Base-Backbone interact. energy: -1.240 local terms energy: -486.452600 where: bonds (distance) C4'-P energy: -97.363 bonds (distance) P-C4' energy: -99.573 flat angles C4'-P-C4' energy: -100.692 flat angles P-C4'-P energy: -64.312 tors. eta vs tors. theta energy: -124.513 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: 9 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1404.248810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.248810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.248810 (E_RNA) where: Base-Base interactions energy: -915.829 where: short stacking energy: -414.535 Base-Backbone interact. energy: -1.702 local terms energy: -486.718081 where: bonds (distance) C4'-P energy: -96.321 bonds (distance) P-C4' energy: -99.659 flat angles C4'-P-C4' energy: -104.424 flat angles P-C4'-P energy: -70.431 tors. eta vs tors. theta energy: -115.883 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: 2 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1319.925469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.925469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.925469 (E_RNA) where: Base-Base interactions energy: -855.690 where: short stacking energy: -395.200 Base-Backbone interact. energy: -1.010 local terms energy: -463.225364 where: bonds (distance) C4'-P energy: -96.617 bonds (distance) P-C4' energy: -89.347 flat angles C4'-P-C4' energy: -104.448 flat angles P-C4'-P energy: -65.828 tors. eta vs tors. theta energy: -106.985 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: 10 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1179.328006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.328006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.328006 (E_RNA) where: Base-Base interactions energy: -738.969 where: short stacking energy: -338.710 Base-Backbone interact. energy: -1.895 local terms energy: -438.464013 where: bonds (distance) C4'-P energy: -93.095 bonds (distance) P-C4' energy: -90.701 flat angles C4'-P-C4' energy: -94.735 flat angles P-C4'-P energy: -62.495 tors. eta vs tors. theta energy: -97.438 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: 3 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -1118.204844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.204844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.204844 (E_RNA) where: Base-Base interactions energy: -724.523 where: short stacking energy: -356.871 Base-Backbone interact. energy: -2.366 local terms energy: -391.315829 where: bonds (distance) C4'-P energy: -88.506 bonds (distance) P-C4' energy: -84.310 flat angles C4'-P-C4' energy: -77.282 flat angles P-C4'-P energy: -54.325 tors. eta vs tors. theta energy: -86.893 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: 7 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -827.297239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.297239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.297239 (E_RNA) where: Base-Base interactions energy: -494.765 where: short stacking energy: -244.593 Base-Backbone interact. energy: 2.415 local terms energy: -334.947730 where: bonds (distance) C4'-P energy: -72.254 bonds (distance) P-C4' energy: -88.442 flat angles C4'-P-C4' energy: -89.951 flat angles P-C4'-P energy: -44.243 tors. eta vs tors. theta energy: -40.058 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: 6 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -898.841791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.841791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.841791 (E_RNA) where: Base-Base interactions energy: -523.443 where: short stacking energy: -250.876 Base-Backbone interact. energy: -2.998 local terms energy: -372.400136 where: bonds (distance) C4'-P energy: -87.946 bonds (distance) P-C4' energy: -79.290 flat angles C4'-P-C4' energy: -85.275 flat angles P-C4'-P energy: -57.181 tors. eta vs tors. theta energy: -62.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -753.769387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.769387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.769387 (E_RNA) where: Base-Base interactions energy: -400.156 where: short stacking energy: -195.677 Base-Backbone interact. energy: -0.058 local terms energy: -353.555147 where: bonds (distance) C4'-P energy: -83.447 bonds (distance) P-C4' energy: -102.464 flat angles C4'-P-C4' energy: -86.703 flat angles P-C4'-P energy: -49.934 tors. eta vs tors. theta energy: -31.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -590.459230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.459230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.459230 (E_RNA) where: Base-Base interactions energy: -316.399 where: short stacking energy: -160.972 Base-Backbone interact. energy: -2.650 local terms energy: -271.410213 where: bonds (distance) C4'-P energy: -78.735 bonds (distance) P-C4' energy: -68.958 flat angles C4'-P-C4' energy: -60.389 flat angles P-C4'-P energy: -49.955 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: 10, replica: 8 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -539.187258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.187258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.187258 (E_RNA) where: Base-Base interactions energy: -281.575 where: short stacking energy: -175.341 Base-Backbone interact. energy: -1.682 local terms energy: -255.930131 where: bonds (distance) C4'-P energy: -63.929 bonds (distance) P-C4' energy: -68.306 flat angles C4'-P-C4' energy: -65.990 flat angles P-C4'-P energy: -45.671 tors. eta vs tors. theta energy: -12.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1497.988192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.988192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.988192 (E_RNA) where: Base-Base interactions energy: -1000.976 where: short stacking energy: -451.697 Base-Backbone interact. energy: -2.543 local terms energy: -494.469522 where: bonds (distance) C4'-P energy: -87.542 bonds (distance) P-C4' energy: -97.197 flat angles C4'-P-C4' energy: -105.822 flat angles P-C4'-P energy: -71.031 tors. eta vs tors. theta energy: -132.877 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: 9 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1411.199833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.199833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.199833 (E_RNA) where: Base-Base interactions energy: -934.342 where: short stacking energy: -425.228 Base-Backbone interact. energy: -1.085 local terms energy: -475.773683 where: bonds (distance) C4'-P energy: -90.241 bonds (distance) P-C4' energy: -81.653 flat angles C4'-P-C4' energy: -106.851 flat angles P-C4'-P energy: -72.853 tors. eta vs tors. theta energy: -124.176 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: 2 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1302.727861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.727861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.727861 (E_RNA) where: Base-Base interactions energy: -828.641 where: short stacking energy: -365.753 Base-Backbone interact. energy: -2.998 local terms energy: -471.087962 where: bonds (distance) C4'-P energy: -97.022 bonds (distance) P-C4' energy: -97.292 flat angles C4'-P-C4' energy: -95.285 flat angles P-C4'-P energy: -68.802 tors. eta vs tors. theta energy: -112.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1229.359561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.359561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.359561 (E_RNA) where: Base-Base interactions energy: -774.493 where: short stacking energy: -352.042 Base-Backbone interact. energy: -4.958 local terms energy: -449.908571 where: bonds (distance) C4'-P energy: -91.030 bonds (distance) P-C4' energy: -92.387 flat angles C4'-P-C4' energy: -100.359 flat angles P-C4'-P energy: -67.080 tors. eta vs tors. theta energy: -99.054 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: 3 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -1110.329712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.329712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.329712 (E_RNA) where: Base-Base interactions energy: -705.083 where: short stacking energy: -311.484 Base-Backbone interact. energy: 0.039 local terms energy: -405.285681 where: bonds (distance) C4'-P energy: -85.707 bonds (distance) P-C4' energy: -90.813 flat angles C4'-P-C4' energy: -94.021 flat angles P-C4'-P energy: -65.340 tors. eta vs tors. theta energy: -69.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -939.910505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.910505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.910505 (E_RNA) where: Base-Base interactions energy: -574.920 where: short stacking energy: -264.395 Base-Backbone interact. energy: -2.657 local terms energy: -362.332797 where: bonds (distance) C4'-P energy: -95.834 bonds (distance) P-C4' energy: -85.038 flat angles C4'-P-C4' energy: -75.431 flat angles P-C4'-P energy: -49.956 tors. eta vs tors. theta energy: -56.073 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: 230 Temperature: 1.200000 Total energy: -945.522113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.522113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.522113 (E_RNA) where: Base-Base interactions energy: -549.997 where: short stacking energy: -271.700 Base-Backbone interact. energy: -1.139 local terms energy: -394.386274 where: bonds (distance) C4'-P energy: -93.495 bonds (distance) P-C4' energy: -94.512 flat angles C4'-P-C4' energy: -87.852 flat angles P-C4'-P energy: -64.654 tors. eta vs tors. theta energy: -53.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -767.088774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.088774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.088774 (E_RNA) where: Base-Base interactions energy: -438.461 where: short stacking energy: -212.256 Base-Backbone interact. energy: -0.380 local terms energy: -328.247750 where: bonds (distance) C4'-P energy: -79.704 bonds (distance) P-C4' energy: -75.607 flat angles C4'-P-C4' energy: -83.221 flat angles P-C4'-P energy: -55.036 tors. eta vs tors. theta energy: -34.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -531.279256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.279256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.279256 (E_RNA) where: Base-Base interactions energy: -254.318 where: short stacking energy: -140.244 Base-Backbone interact. energy: 1.346 local terms energy: -278.306744 where: bonds (distance) C4'-P energy: -89.049 bonds (distance) P-C4' energy: -81.887 flat angles C4'-P-C4' energy: -63.271 flat angles P-C4'-P energy: -45.050 tors. eta vs tors. theta energy: 0.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -482.681571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.681571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.681571 (E_RNA) where: Base-Base interactions energy: -243.793 where: short stacking energy: -130.862 Base-Backbone interact. energy: 8.029 local terms energy: -246.916971 where: bonds (distance) C4'-P energy: -72.532 bonds (distance) P-C4' energy: -92.779 flat angles C4'-P-C4' energy: -59.728 flat angles P-C4'-P energy: -27.684 tors. eta vs tors. theta energy: 5.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1505.496795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.496795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.496795 (E_RNA) where: Base-Base interactions energy: -1010.853 where: short stacking energy: -467.508 Base-Backbone interact. energy: -1.250 local terms energy: -493.394324 where: bonds (distance) C4'-P energy: -95.820 bonds (distance) P-C4' energy: -98.387 flat angles C4'-P-C4' energy: -104.492 flat angles P-C4'-P energy: -66.038 tors. eta vs tors. theta energy: -128.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1391.333658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.333658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.333658 (E_RNA) where: Base-Base interactions energy: -918.615 where: short stacking energy: -426.368 Base-Backbone interact. energy: -1.908 local terms energy: -470.810469 where: bonds (distance) C4'-P energy: -93.443 bonds (distance) P-C4' energy: -94.555 flat angles C4'-P-C4' energy: -112.629 flat angles P-C4'-P energy: -61.438 tors. eta vs tors. theta energy: -108.745 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: 3, replica: 2 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1321.203100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.203100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.203100 (E_RNA) where: Base-Base interactions energy: -847.961 where: short stacking energy: -399.282 Base-Backbone interact. energy: 0.178 local terms energy: -473.419955 where: bonds (distance) C4'-P energy: -99.428 bonds (distance) P-C4' energy: -86.167 flat angles C4'-P-C4' energy: -104.967 flat angles P-C4'-P energy: -67.553 tors. eta vs tors. theta energy: -115.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1179.320716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.320716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.320716 (E_RNA) where: Base-Base interactions energy: -746.063 where: short stacking energy: -357.857 Base-Backbone interact. energy: -1.369 local terms energy: -431.888158 where: bonds (distance) C4'-P energy: -82.701 bonds (distance) P-C4' energy: -90.006 flat angles C4'-P-C4' energy: -100.554 flat angles P-C4'-P energy: -58.922 tors. eta vs tors. theta energy: -99.705 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: 10 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -1135.662471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.662471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.662471 (E_RNA) where: Base-Base interactions energy: -713.354 where: short stacking energy: -335.488 Base-Backbone interact. energy: -3.877 local terms energy: -418.431793 where: bonds (distance) C4'-P energy: -87.855 bonds (distance) P-C4' energy: -86.002 flat angles C4'-P-C4' energy: -92.037 flat angles P-C4'-P energy: -66.506 tors. eta vs tors. theta energy: -86.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -905.160595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.160595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.160595 (E_RNA) where: Base-Base interactions energy: -537.416 where: short stacking energy: -263.262 Base-Backbone interact. energy: 3.383 local terms energy: -371.128202 where: bonds (distance) C4'-P energy: -95.228 bonds (distance) P-C4' energy: -86.706 flat angles C4'-P-C4' energy: -81.946 flat angles P-C4'-P energy: -52.763 tors. eta vs tors. theta energy: -54.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -887.937126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.937126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.937126 (E_RNA) where: Base-Base interactions energy: -513.353 where: short stacking energy: -256.721 Base-Backbone interact. energy: -0.752 local terms energy: -373.831453 where: bonds (distance) C4'-P energy: -95.355 bonds (distance) P-C4' energy: -97.605 flat angles C4'-P-C4' energy: -84.171 flat angles P-C4'-P energy: -52.447 tors. eta vs tors. theta energy: -44.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -762.264342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.264342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.264342 (E_RNA) where: Base-Base interactions energy: -431.303 where: short stacking energy: -192.561 Base-Backbone interact. energy: -2.643 local terms energy: -328.318025 where: bonds (distance) C4'-P energy: -90.738 bonds (distance) P-C4' energy: -74.545 flat angles C4'-P-C4' energy: -94.477 flat angles P-C4'-P energy: -58.771 tors. eta vs tors. theta energy: -9.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -596.184957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.184957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.184957 (E_RNA) where: Base-Base interactions energy: -318.397 where: short stacking energy: -164.703 Base-Backbone interact. energy: -2.338 local terms energy: -275.449645 where: bonds (distance) C4'-P energy: -79.809 bonds (distance) P-C4' energy: -72.176 flat angles C4'-P-C4' energy: -73.525 flat angles P-C4'-P energy: -50.940 tors. eta vs tors. theta energy: 1.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -503.731149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.731149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.731149 (E_RNA) where: Base-Base interactions energy: -246.768 where: short stacking energy: -120.159 Base-Backbone interact. energy: -1.719 local terms energy: -255.243735 where: bonds (distance) C4'-P energy: -74.919 bonds (distance) P-C4' energy: -85.457 flat angles C4'-P-C4' energy: -59.765 flat angles P-C4'-P energy: -39.671 tors. eta vs tors. theta energy: 4.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1507.655534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.655534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.655534 (E_RNA) where: Base-Base interactions energy: -992.261 where: short stacking energy: -475.579 Base-Backbone interact. energy: -3.439 local terms energy: -511.954733 where: bonds (distance) C4'-P energy: -99.674 bonds (distance) P-C4' energy: -99.282 flat angles C4'-P-C4' energy: -115.682 flat angles P-C4'-P energy: -64.988 tors. eta vs tors. theta energy: -132.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1406.471501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.471501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.471501 (E_RNA) where: Base-Base interactions energy: -933.113 where: short stacking energy: -449.589 Base-Backbone interact. energy: -2.420 local terms energy: -470.937716 where: bonds (distance) C4'-P energy: -93.083 bonds (distance) P-C4' energy: -89.826 flat angles C4'-P-C4' energy: -103.724 flat angles P-C4'-P energy: -63.198 tors. eta vs tors. theta energy: -121.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1321.323951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.323951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.323951 (E_RNA) where: Base-Base interactions energy: -868.725 where: short stacking energy: -387.612 Base-Backbone interact. energy: -1.768 local terms energy: -450.830528 where: bonds (distance) C4'-P energy: -83.203 bonds (distance) P-C4' energy: -93.107 flat angles C4'-P-C4' energy: -95.754 flat angles P-C4'-P energy: -62.101 tors. eta vs tors. theta energy: -116.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -1183.307002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.307002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.307002 (E_RNA) where: Base-Base interactions energy: -774.758 where: short stacking energy: -356.867 Base-Backbone interact. energy: -2.383 local terms energy: -406.166749 where: bonds (distance) C4'-P energy: -86.209 bonds (distance) P-C4' energy: -82.342 flat angles C4'-P-C4' energy: -102.124 flat angles P-C4'-P energy: -50.439 tors. eta vs tors. theta energy: -85.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -1146.349996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.349996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.349996 (E_RNA) where: Base-Base interactions energy: -739.418 where: short stacking energy: -353.747 Base-Backbone interact. energy: -2.520 local terms energy: -404.411669 where: bonds (distance) C4'-P energy: -87.499 bonds (distance) P-C4' energy: -82.397 flat angles C4'-P-C4' energy: -91.449 flat angles P-C4'-P energy: -60.147 tors. eta vs tors. theta energy: -82.920 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: 7 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -932.566872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.566872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.566872 (E_RNA) where: Base-Base interactions energy: -585.240 where: short stacking energy: -294.106 Base-Backbone interact. energy: 0.266 local terms energy: -347.593509 where: bonds (distance) C4'-P energy: -84.401 bonds (distance) P-C4' energy: -84.692 flat angles C4'-P-C4' energy: -82.238 flat angles P-C4'-P energy: -46.362 tors. eta vs tors. theta energy: -49.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -846.529947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.529947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.529947 (E_RNA) where: Base-Base interactions energy: -503.107 where: short stacking energy: -241.344 Base-Backbone interact. energy: 1.493 local terms energy: -344.916346 where: bonds (distance) C4'-P energy: -80.142 bonds (distance) P-C4' energy: -96.452 flat angles C4'-P-C4' energy: -98.026 flat angles P-C4'-P energy: -33.178 tors. eta vs tors. theta energy: -37.119 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: 4 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -792.499428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.499428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.499428 (E_RNA) where: Base-Base interactions energy: -447.413 where: short stacking energy: -206.365 Base-Backbone interact. energy: -1.842 local terms energy: -343.244791 where: bonds (distance) C4'-P energy: -97.062 bonds (distance) P-C4' energy: -68.169 flat angles C4'-P-C4' energy: -81.614 flat angles P-C4'-P energy: -57.980 tors. eta vs tors. theta energy: -38.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -561.538793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.538793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.538793 (E_RNA) where: Base-Base interactions energy: -275.780 where: short stacking energy: -153.509 Base-Backbone interact. energy: 1.137 local terms energy: -286.895750 where: bonds (distance) C4'-P energy: -80.801 bonds (distance) P-C4' energy: -83.282 flat angles C4'-P-C4' energy: -78.947 flat angles P-C4'-P energy: -31.777 tors. eta vs tors. theta energy: -12.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -520.103377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.103377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.103377 (E_RNA) where: Base-Base interactions energy: -241.057 where: short stacking energy: -148.046 Base-Backbone interact. energy: 4.294 local terms energy: -283.340977 where: bonds (distance) C4'-P energy: -76.206 bonds (distance) P-C4' energy: -89.643 flat angles C4'-P-C4' energy: -71.801 flat angles P-C4'-P energy: -43.413 tors. eta vs tors. theta energy: -2.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1477.769483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.769483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.769483 (E_RNA) where: Base-Base interactions energy: -973.315 where: short stacking energy: -439.736 Base-Backbone interact. energy: -3.602 local terms energy: -500.852316 where: bonds (distance) C4'-P energy: -97.839 bonds (distance) P-C4' energy: -96.010 flat angles C4'-P-C4' energy: -105.736 flat angles P-C4'-P energy: -71.144 tors. eta vs tors. theta energy: -130.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1427.310691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.310691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.310691 (E_RNA) where: Base-Base interactions energy: -940.097 where: short stacking energy: -429.649 Base-Backbone interact. energy: 1.036 local terms energy: -488.249481 where: bonds (distance) C4'-P energy: -97.472 bonds (distance) P-C4' energy: -92.989 flat angles C4'-P-C4' energy: -106.889 flat angles P-C4'-P energy: -66.248 tors. eta vs tors. theta energy: -124.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1339.689391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.689391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.689391 (E_RNA) where: Base-Base interactions energy: -882.785 where: short stacking energy: -412.162 Base-Backbone interact. energy: -3.598 local terms energy: -453.305992 where: bonds (distance) C4'-P energy: -79.765 bonds (distance) P-C4' energy: -83.170 flat angles C4'-P-C4' energy: -107.909 flat angles P-C4'-P energy: -67.616 tors. eta vs tors. theta energy: -114.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1212.520450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.520450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.520450 (E_RNA) where: Base-Base interactions energy: -793.189 where: short stacking energy: -360.249 Base-Backbone interact. energy: -3.881 local terms energy: -415.450664 where: bonds (distance) C4'-P energy: -89.880 bonds (distance) P-C4' energy: -82.250 flat angles C4'-P-C4' energy: -102.990 flat angles P-C4'-P energy: -46.256 tors. eta vs tors. theta energy: -94.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1126.302161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.302161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.302161 (E_RNA) where: Base-Base interactions energy: -727.274 where: short stacking energy: -332.058 Base-Backbone interact. energy: 0.236 local terms energy: -399.264383 where: bonds (distance) C4'-P energy: -65.426 bonds (distance) P-C4' energy: -91.144 flat angles C4'-P-C4' energy: -98.592 flat angles P-C4'-P energy: -55.539 tors. eta vs tors. theta energy: -88.562 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: 7 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -980.001099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.001099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.001099 (E_RNA) where: Base-Base interactions energy: -603.898 where: short stacking energy: -282.931 Base-Backbone interact. energy: -1.990 local terms energy: -374.113916 where: bonds (distance) C4'-P energy: -91.015 bonds (distance) P-C4' energy: -81.051 flat angles C4'-P-C4' energy: -82.285 flat angles P-C4'-P energy: -58.240 tors. eta vs tors. theta energy: -61.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -870.144862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.144862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.144862 (E_RNA) where: Base-Base interactions energy: -541.097 where: short stacking energy: -265.783 Base-Backbone interact. energy: 0.475 local terms energy: -329.522630 where: bonds (distance) C4'-P energy: -78.107 bonds (distance) P-C4' energy: -74.163 flat angles C4'-P-C4' energy: -82.675 flat angles P-C4'-P energy: -43.807 tors. eta vs tors. theta energy: -50.771 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: 4 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -761.452896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.452896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.452896 (E_RNA) where: Base-Base interactions energy: -432.071 where: short stacking energy: -245.309 Base-Backbone interact. energy: 1.974 local terms energy: -331.355248 where: bonds (distance) C4'-P energy: -64.762 bonds (distance) P-C4' energy: -75.807 flat angles C4'-P-C4' energy: -83.183 flat angles P-C4'-P energy: -55.488 tors. eta vs tors. theta energy: -52.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -525.097033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.097033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.097033 (E_RNA) where: Base-Base interactions energy: -228.108 where: short stacking energy: -126.192 Base-Backbone interact. energy: 1.889 local terms energy: -298.878677 where: bonds (distance) C4'-P energy: -86.914 bonds (distance) P-C4' energy: -72.383 flat angles C4'-P-C4' energy: -65.195 flat angles P-C4'-P energy: -66.005 tors. eta vs tors. theta energy: -8.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -495.228369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.228369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.228369 (E_RNA) where: Base-Base interactions energy: -244.394 where: short stacking energy: -140.209 Base-Backbone interact. energy: 0.969 local terms energy: -251.803045 where: bonds (distance) C4'-P energy: -58.681 bonds (distance) P-C4' energy: -85.288 flat angles C4'-P-C4' energy: -63.931 flat angles P-C4'-P energy: -43.467 tors. eta vs tors. theta energy: -0.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1489.787656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.787656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.787656 (E_RNA) where: Base-Base interactions energy: -996.575 where: short stacking energy: -454.629 Base-Backbone interact. energy: -1.956 local terms energy: -491.257354 where: bonds (distance) C4'-P energy: -98.765 bonds (distance) P-C4' energy: -92.739 flat angles C4'-P-C4' energy: -97.133 flat angles P-C4'-P energy: -68.784 tors. eta vs tors. theta energy: -133.836 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: 9 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1398.659461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.659461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.659461 (E_RNA) where: Base-Base interactions energy: -924.960 where: short stacking energy: -419.834 Base-Backbone interact. energy: -3.818 local terms energy: -469.881564 where: bonds (distance) C4'-P energy: -98.610 bonds (distance) P-C4' energy: -84.224 flat angles C4'-P-C4' energy: -94.515 flat angles P-C4'-P energy: -72.926 tors. eta vs tors. theta energy: -119.607 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: 234 Temperature: 1.000000 Total energy: -1321.422202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.422202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.422202 (E_RNA) where: Base-Base interactions energy: -853.513 where: short stacking energy: -387.314 Base-Backbone interact. energy: -1.851 local terms energy: -466.058435 where: bonds (distance) C4'-P energy: -89.764 bonds (distance) P-C4' energy: -93.089 flat angles C4'-P-C4' energy: -102.890 flat angles P-C4'-P energy: -65.131 tors. eta vs tors. theta energy: -115.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1189.882712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.882712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.882712 (E_RNA) where: Base-Base interactions energy: -795.914 where: short stacking energy: -355.135 Base-Backbone interact. energy: -1.466 local terms energy: -392.502577 where: bonds (distance) C4'-P energy: -70.286 bonds (distance) P-C4' energy: -90.216 flat angles C4'-P-C4' energy: -87.790 flat angles P-C4'-P energy: -52.358 tors. eta vs tors. theta energy: -91.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -1129.219368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.219368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.219368 (E_RNA) where: Base-Base interactions energy: -722.018 where: short stacking energy: -366.233 Base-Backbone interact. energy: -0.877 local terms energy: -406.323831 where: bonds (distance) C4'-P energy: -82.154 bonds (distance) P-C4' energy: -75.634 flat angles C4'-P-C4' energy: -89.769 flat angles P-C4'-P energy: -59.268 tors. eta vs tors. theta energy: -99.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -935.265996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.265996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.265996 (E_RNA) where: Base-Base interactions energy: -563.044 where: short stacking energy: -283.107 Base-Backbone interact. energy: 4.145 local terms energy: -376.367038 where: bonds (distance) C4'-P energy: -83.879 bonds (distance) P-C4' energy: -91.129 flat angles C4'-P-C4' energy: -80.241 flat angles P-C4'-P energy: -64.319 tors. eta vs tors. theta energy: -56.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -842.769112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.769112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.769112 (E_RNA) where: Base-Base interactions energy: -511.041 where: short stacking energy: -252.087 Base-Backbone interact. energy: -0.617 local terms energy: -331.111310 where: bonds (distance) C4'-P energy: -76.232 bonds (distance) P-C4' energy: -83.112 flat angles C4'-P-C4' energy: -78.247 flat angles P-C4'-P energy: -49.954 tors. eta vs tors. theta energy: -43.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -777.676316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.676316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.676316 (E_RNA) where: Base-Base interactions energy: -452.410 where: short stacking energy: -218.877 Base-Backbone interact. energy: 1.829 local terms energy: -327.095507 where: bonds (distance) C4'-P energy: -79.018 bonds (distance) P-C4' energy: -72.658 flat angles C4'-P-C4' energy: -82.299 flat angles P-C4'-P energy: -56.253 tors. eta vs tors. theta energy: -36.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -538.645005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.645005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.645005 (E_RNA) where: Base-Base interactions energy: -258.269 where: short stacking energy: -171.128 Base-Backbone interact. energy: 2.499 local terms energy: -282.874484 where: bonds (distance) C4'-P energy: -64.810 bonds (distance) P-C4' energy: -97.967 flat angles C4'-P-C4' energy: -80.101 flat angles P-C4'-P energy: -22.887 tors. eta vs tors. theta energy: -17.109 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: 1 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -495.078041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.078041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.078041 (E_RNA) where: Base-Base interactions energy: -247.818 where: short stacking energy: -147.057 Base-Backbone interact. energy: 6.307 local terms energy: -253.566127 where: bonds (distance) C4'-P energy: -69.248 bonds (distance) P-C4' energy: -80.991 flat angles C4'-P-C4' energy: -73.467 flat angles P-C4'-P energy: -34.499 tors. eta vs tors. theta energy: 4.640 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: 5 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1522.188018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.188018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.188018 (E_RNA) where: Base-Base interactions energy: -1011.141 where: short stacking energy: -463.482 Base-Backbone interact. energy: -4.433 local terms energy: -506.614584 where: bonds (distance) C4'-P energy: -85.003 bonds (distance) P-C4' energy: -97.574 flat angles C4'-P-C4' energy: -107.397 flat angles P-C4'-P energy: -76.355 tors. eta vs tors. theta energy: -140.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1376.312414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.312414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.312414 (E_RNA) where: Base-Base interactions energy: -892.952 where: short stacking energy: -423.040 Base-Backbone interact. energy: 1.069 local terms energy: -484.428680 where: bonds (distance) C4'-P energy: -88.238 bonds (distance) P-C4' energy: -99.291 flat angles C4'-P-C4' energy: -100.338 flat angles P-C4'-P energy: -71.189 tors. eta vs tors. theta energy: -125.372 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: 9 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1347.749461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.749461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.749461 (E_RNA) where: Base-Base interactions energy: -888.866 where: short stacking energy: -410.946 Base-Backbone interact. energy: -2.034 local terms energy: -456.848862 where: bonds (distance) C4'-P energy: -91.440 bonds (distance) P-C4' energy: -86.507 flat angles C4'-P-C4' energy: -102.567 flat angles P-C4'-P energy: -67.952 tors. eta vs tors. theta energy: -108.382 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: 4, replica: 10 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1216.865542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.865542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.865542 (E_RNA) where: Base-Base interactions energy: -799.383 where: short stacking energy: -365.196 Base-Backbone interact. energy: -0.578 local terms energy: -416.904771 where: bonds (distance) C4'-P energy: -81.217 bonds (distance) P-C4' energy: -84.306 flat angles C4'-P-C4' energy: -93.418 flat angles P-C4'-P energy: -53.953 tors. eta vs tors. theta energy: -104.012 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: 3 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -1111.939709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.939709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.939709 (E_RNA) where: Base-Base interactions energy: -706.339 where: short stacking energy: -339.299 Base-Backbone interact. energy: -2.405 local terms energy: -403.195457 where: bonds (distance) C4'-P energy: -80.379 bonds (distance) P-C4' energy: -89.710 flat angles C4'-P-C4' energy: -97.686 flat angles P-C4'-P energy: -52.990 tors. eta vs tors. theta energy: -82.431 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: 6 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -906.515389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.515389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.515389 (E_RNA) where: Base-Base interactions energy: -543.223 where: short stacking energy: -261.701 Base-Backbone interact. energy: 3.537 local terms energy: -366.829304 where: bonds (distance) C4'-P energy: -82.482 bonds (distance) P-C4' energy: -88.100 flat angles C4'-P-C4' energy: -94.123 flat angles P-C4'-P energy: -54.478 tors. eta vs tors. theta energy: -47.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -833.618086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.618086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.618086 (E_RNA) where: Base-Base interactions energy: -492.265 where: short stacking energy: -235.192 Base-Backbone interact. energy: -0.932 local terms energy: -340.421970 where: bonds (distance) C4'-P energy: -74.761 bonds (distance) P-C4' energy: -83.572 flat angles C4'-P-C4' energy: -93.789 flat angles P-C4'-P energy: -50.409 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: 4 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -788.427298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.427298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.427298 (E_RNA) where: Base-Base interactions energy: -463.815 where: short stacking energy: -214.513 Base-Backbone interact. energy: -1.513 local terms energy: -323.099296 where: bonds (distance) C4'-P energy: -84.131 bonds (distance) P-C4' energy: -86.569 flat angles C4'-P-C4' energy: -76.727 flat angles P-C4'-P energy: -37.749 tors. eta vs tors. theta energy: -37.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -519.568165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.568165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.568165 (E_RNA) where: Base-Base interactions energy: -222.713 where: short stacking energy: -151.099 Base-Backbone interact. energy: 3.209 local terms energy: -300.064430 where: bonds (distance) C4'-P energy: -89.632 bonds (distance) P-C4' energy: -89.659 flat angles C4'-P-C4' energy: -79.335 flat angles P-C4'-P energy: -35.173 tors. eta vs tors. theta energy: -6.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -538.299923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.299923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.299923 (E_RNA) where: Base-Base interactions energy: -253.634 where: short stacking energy: -170.808 Base-Backbone interact. energy: 0.673 local terms energy: -285.339405 where: bonds (distance) C4'-P energy: -82.453 bonds (distance) P-C4' energy: -80.667 flat angles C4'-P-C4' energy: -69.823 flat angles P-C4'-P energy: -37.269 tors. eta vs tors. theta energy: -15.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1536.397063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.397063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.397063 (E_RNA) where: Base-Base interactions energy: -1016.724 where: short stacking energy: -463.979 Base-Backbone interact. energy: -2.326 local terms energy: -517.347073 where: bonds (distance) C4'-P energy: -99.186 bonds (distance) P-C4' energy: -96.792 flat angles C4'-P-C4' energy: -100.714 flat angles P-C4'-P energy: -74.275 tors. eta vs tors. theta energy: -146.380 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: 2 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1375.061113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.061113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.061113 (E_RNA) where: Base-Base interactions energy: -893.085 where: short stacking energy: -422.588 Base-Backbone interact. energy: -0.687 local terms energy: -481.289599 where: bonds (distance) C4'-P energy: -93.228 bonds (distance) P-C4' energy: -86.700 flat angles C4'-P-C4' energy: -111.550 flat angles P-C4'-P energy: -69.407 tors. eta vs tors. theta energy: -120.404 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: 236 Temperature: 1.000000 Total energy: -1375.835246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.835246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.835246 (E_RNA) where: Base-Base interactions energy: -890.746 where: short stacking energy: -408.654 Base-Backbone interact. energy: -4.074 local terms energy: -481.015053 where: bonds (distance) C4'-P energy: -93.399 bonds (distance) P-C4' energy: -95.795 flat angles C4'-P-C4' energy: -102.320 flat angles P-C4'-P energy: -71.840 tors. eta vs tors. theta energy: -117.661 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: 10 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1197.572433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.572433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.572433 (E_RNA) where: Base-Base interactions energy: -780.394 where: short stacking energy: -364.485 Base-Backbone interact. energy: -2.569 local terms energy: -414.609775 where: bonds (distance) C4'-P energy: -79.354 bonds (distance) P-C4' energy: -80.464 flat angles C4'-P-C4' energy: -96.763 flat angles P-C4'-P energy: -64.442 tors. eta vs tors. theta energy: -93.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -1141.508035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.508035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.508035 (E_RNA) where: Base-Base interactions energy: -758.413 where: short stacking energy: -354.155 Base-Backbone interact. energy: 0.671 local terms energy: -383.766451 where: bonds (distance) C4'-P energy: -80.248 bonds (distance) P-C4' energy: -80.886 flat angles C4'-P-C4' energy: -91.616 flat angles P-C4'-P energy: -51.049 tors. eta vs tors. theta energy: -79.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -892.473711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.473711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.473711 (E_RNA) where: Base-Base interactions energy: -531.950 where: short stacking energy: -252.066 Base-Backbone interact. energy: -1.034 local terms energy: -359.489777 where: bonds (distance) C4'-P energy: -73.962 bonds (distance) P-C4' energy: -85.019 flat angles C4'-P-C4' energy: -96.506 flat angles P-C4'-P energy: -53.780 tors. eta vs tors. theta energy: -50.222 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: 4 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -865.445326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.445326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.445326 (E_RNA) where: Base-Base interactions energy: -525.227 where: short stacking energy: -255.550 Base-Backbone interact. energy: -2.559 local terms energy: -337.659225 where: bonds (distance) C4'-P energy: -91.321 bonds (distance) P-C4' energy: -80.983 flat angles C4'-P-C4' energy: -77.052 flat angles P-C4'-P energy: -56.100 tors. eta vs tors. theta energy: -32.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -787.832503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.832503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.832503 (E_RNA) where: Base-Base interactions energy: -477.641 where: short stacking energy: -214.869 Base-Backbone interact. energy: 0.979 local terms energy: -311.169570 where: bonds (distance) C4'-P energy: -80.508 bonds (distance) P-C4' energy: -96.292 flat angles C4'-P-C4' energy: -62.890 flat angles P-C4'-P energy: -49.272 tors. eta vs tors. theta energy: -22.207 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: 9, replica: 1 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -661.626055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.626055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.626055 (E_RNA) where: Base-Base interactions energy: -346.212 where: short stacking energy: -191.262 Base-Backbone interact. energy: 0.633 local terms energy: -316.047178 where: bonds (distance) C4'-P energy: -69.475 bonds (distance) P-C4' energy: -80.618 flat angles C4'-P-C4' energy: -84.194 flat angles P-C4'-P energy: -61.018 tors. eta vs tors. theta energy: -20.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -476.615132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.615132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.615132 (E_RNA) where: Base-Base interactions energy: -227.030 where: short stacking energy: -128.862 Base-Backbone interact. energy: 3.906 local terms energy: -253.491080 where: bonds (distance) C4'-P energy: -63.667 bonds (distance) P-C4' energy: -88.236 flat angles C4'-P-C4' energy: -79.066 flat angles P-C4'-P energy: -42.096 tors. eta vs tors. theta energy: 19.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1523.947393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.947393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.947393 (E_RNA) where: Base-Base interactions energy: -1035.603 where: short stacking energy: -466.074 Base-Backbone interact. energy: -5.794 local terms energy: -482.550230 where: bonds (distance) C4'-P energy: -88.115 bonds (distance) P-C4' energy: -88.452 flat angles C4'-P-C4' energy: -98.158 flat angles P-C4'-P energy: -71.288 tors. eta vs tors. theta energy: -136.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1414.284701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.284701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.284701 (E_RNA) where: Base-Base interactions energy: -936.712 where: short stacking energy: -428.417 Base-Backbone interact. energy: -1.134 local terms energy: -476.439412 where: bonds (distance) C4'-P energy: -92.101 bonds (distance) P-C4' energy: -88.851 flat angles C4'-P-C4' energy: -109.891 flat angles P-C4'-P energy: -66.560 tors. eta vs tors. theta energy: -119.037 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: 237 Temperature: 1.000000 Total energy: -1320.875570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.875570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.875570 (E_RNA) where: Base-Base interactions energy: -852.473 where: short stacking energy: -385.235 Base-Backbone interact. energy: -0.876 local terms energy: -467.526342 where: bonds (distance) C4'-P energy: -86.332 bonds (distance) P-C4' energy: -89.493 flat angles C4'-P-C4' energy: -105.017 flat angles P-C4'-P energy: -75.501 tors. eta vs tors. theta energy: -111.183 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: 3 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1160.783247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.783247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.783247 (E_RNA) where: Base-Base interactions energy: -753.000 where: short stacking energy: -340.134 Base-Backbone interact. energy: 0.223 local terms energy: -408.006761 where: bonds (distance) C4'-P energy: -78.944 bonds (distance) P-C4' energy: -89.619 flat angles C4'-P-C4' energy: -94.771 flat angles P-C4'-P energy: -61.249 tors. eta vs tors. theta energy: -83.425 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: 10 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1086.456576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.456576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.456576 (E_RNA) where: Base-Base interactions energy: -673.124 where: short stacking energy: -287.098 Base-Backbone interact. energy: -2.528 local terms energy: -410.803650 where: bonds (distance) C4'-P energy: -79.920 bonds (distance) P-C4' energy: -89.818 flat angles C4'-P-C4' energy: -96.473 flat angles P-C4'-P energy: -60.343 tors. eta vs tors. theta energy: -84.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -856.287876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.287876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.287876 (E_RNA) where: Base-Base interactions energy: -528.562 where: short stacking energy: -243.395 Base-Backbone interact. energy: 1.942 local terms energy: -329.668030 where: bonds (distance) C4'-P energy: -89.680 bonds (distance) P-C4' energy: -84.981 flat angles C4'-P-C4' energy: -79.527 flat angles P-C4'-P energy: -45.687 tors. eta vs tors. theta energy: -29.793 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: 4 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -856.702570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.702570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.702570 (E_RNA) where: Base-Base interactions energy: -520.809 where: short stacking energy: -230.878 Base-Backbone interact. energy: -1.446 local terms energy: -334.447253 where: bonds (distance) C4'-P energy: -80.608 bonds (distance) P-C4' energy: -78.642 flat angles C4'-P-C4' energy: -87.863 flat angles P-C4'-P energy: -44.759 tors. eta vs tors. theta energy: -42.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -791.431903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.431903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.431903 (E_RNA) where: Base-Base interactions energy: -459.083 where: short stacking energy: -216.761 Base-Backbone interact. energy: 0.831 local terms energy: -333.180604 where: bonds (distance) C4'-P energy: -76.932 bonds (distance) P-C4' energy: -81.730 flat angles C4'-P-C4' energy: -88.088 flat angles P-C4'-P energy: -57.478 tors. eta vs tors. theta energy: -28.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -609.478222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.478222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.478222 (E_RNA) where: Base-Base interactions energy: -312.313 where: short stacking energy: -146.127 Base-Backbone interact. energy: 0.550 local terms energy: -297.715345 where: bonds (distance) C4'-P energy: -85.091 bonds (distance) P-C4' energy: -90.752 flat angles C4'-P-C4' energy: -86.428 flat angles P-C4'-P energy: -33.534 tors. eta vs tors. theta energy: -1.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -514.808163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.808163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.808163 (E_RNA) where: Base-Base interactions energy: -229.478 where: short stacking energy: -152.327 Base-Backbone interact. energy: -0.835 local terms energy: -284.494427 where: bonds (distance) C4'-P energy: -96.894 bonds (distance) P-C4' energy: -66.945 flat angles C4'-P-C4' energy: -75.658 flat angles P-C4'-P energy: -37.900 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: 1, replica: 5 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1528.493067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.493067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.493067 (E_RNA) where: Base-Base interactions energy: -1042.805 where: short stacking energy: -487.502 Base-Backbone interact. energy: 1.116 local terms energy: -486.804099 where: bonds (distance) C4'-P energy: -88.522 bonds (distance) P-C4' energy: -95.699 flat angles C4'-P-C4' energy: -101.667 flat angles P-C4'-P energy: -70.814 tors. eta vs tors. theta energy: -130.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1374.596087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.596087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.596087 (E_RNA) where: Base-Base interactions energy: -890.238 where: short stacking energy: -411.294 Base-Backbone interact. energy: -3.063 local terms energy: -481.295307 where: bonds (distance) C4'-P energy: -88.372 bonds (distance) P-C4' energy: -85.518 flat angles C4'-P-C4' energy: -109.907 flat angles P-C4'-P energy: -78.516 tors. eta vs tors. theta energy: -118.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1352.075981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.075981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.075981 (E_RNA) where: Base-Base interactions energy: -883.831 where: short stacking energy: -427.136 Base-Backbone interact. energy: -0.211 local terms energy: -468.033869 where: bonds (distance) C4'-P energy: -96.374 bonds (distance) P-C4' energy: -102.302 flat angles C4'-P-C4' energy: -99.814 flat angles P-C4'-P energy: -59.670 tors. eta vs tors. theta energy: -109.873 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: 3 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1145.511434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.511434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.511434 (E_RNA) where: Base-Base interactions energy: -712.983 where: short stacking energy: -337.773 Base-Backbone interact. energy: 1.182 local terms energy: -433.711103 where: bonds (distance) C4'-P energy: -91.460 bonds (distance) P-C4' energy: -97.150 flat angles C4'-P-C4' energy: -95.305 flat angles P-C4'-P energy: -54.906 tors. eta vs tors. theta energy: -94.891 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: 10 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1065.878068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.878068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.878068 (E_RNA) where: Base-Base interactions energy: -672.978 where: short stacking energy: -337.734 Base-Backbone interact. energy: -2.832 local terms energy: -390.067325 where: bonds (distance) C4'-P energy: -80.842 bonds (distance) P-C4' energy: -74.434 flat angles C4'-P-C4' energy: -96.351 flat angles P-C4'-P energy: -60.281 tors. eta vs tors. theta energy: -78.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -899.629104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.629104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.629104 (E_RNA) where: Base-Base interactions energy: -519.217 where: short stacking energy: -236.900 Base-Backbone interact. energy: -7.005 local terms energy: -373.406207 where: bonds (distance) C4'-P energy: -88.874 bonds (distance) P-C4' energy: -100.465 flat angles C4'-P-C4' energy: -81.555 flat angles P-C4'-P energy: -58.443 tors. eta vs tors. theta energy: -44.070 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: 238 Temperature: 1.200000 Total energy: -840.204437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.204437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.204437 (E_RNA) where: Base-Base interactions energy: -488.695 where: short stacking energy: -230.976 Base-Backbone interact. energy: -1.393 local terms energy: -350.116627 where: bonds (distance) C4'-P energy: -86.113 bonds (distance) P-C4' energy: -89.396 flat angles C4'-P-C4' energy: -77.641 flat angles P-C4'-P energy: -54.979 tors. eta vs tors. theta energy: -41.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -779.430536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.430536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.430536 (E_RNA) where: Base-Base interactions energy: -458.705 where: short stacking energy: -200.024 Base-Backbone interact. energy: -2.422 local terms energy: -318.304143 where: bonds (distance) C4'-P energy: -79.631 bonds (distance) P-C4' energy: -85.400 flat angles C4'-P-C4' energy: -83.632 flat angles P-C4'-P energy: -48.630 tors. eta vs tors. theta energy: -21.010 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: 9, replica: 1 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -628.598353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.598353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.598353 (E_RNA) where: Base-Base interactions energy: -334.638 where: short stacking energy: -167.422 Base-Backbone interact. energy: -1.354 local terms energy: -292.606535 where: bonds (distance) C4'-P energy: -69.002 bonds (distance) P-C4' energy: -91.175 flat angles C4'-P-C4' energy: -77.054 flat angles P-C4'-P energy: -43.482 tors. eta vs tors. theta energy: -11.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -519.434108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.434108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.434108 (E_RNA) where: Base-Base interactions energy: -240.235 where: short stacking energy: -124.222 Base-Backbone interact. energy: 3.572 local terms energy: -282.770987 where: bonds (distance) C4'-P energy: -90.813 bonds (distance) P-C4' energy: -81.186 flat angles C4'-P-C4' energy: -82.562 flat angles P-C4'-P energy: -38.663 tors. eta vs tors. theta energy: 10.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1534.239862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.239862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.239862 (E_RNA) where: Base-Base interactions energy: -1019.064 where: short stacking energy: -470.306 Base-Backbone interact. energy: -1.420 local terms energy: -513.756633 where: bonds (distance) C4'-P energy: -97.256 bonds (distance) P-C4' energy: -110.144 flat angles C4'-P-C4' energy: -101.258 flat angles P-C4'-P energy: -80.593 tors. eta vs tors. theta energy: -124.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1388.006607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.006607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.006607 (E_RNA) where: Base-Base interactions energy: -933.474 where: short stacking energy: -425.880 Base-Backbone interact. energy: -1.075 local terms energy: -453.457977 where: bonds (distance) C4'-P energy: -82.859 bonds (distance) P-C4' energy: -96.570 flat angles C4'-P-C4' energy: -101.118 flat angles P-C4'-P energy: -57.812 tors. eta vs tors. theta energy: -115.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1336.099224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.099224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.099224 (E_RNA) where: Base-Base interactions energy: -852.317 where: short stacking energy: -420.337 Base-Backbone interact. energy: -1.606 local terms energy: -482.176089 where: bonds (distance) C4'-P energy: -89.853 bonds (distance) P-C4' energy: -92.987 flat angles C4'-P-C4' energy: -107.031 flat angles P-C4'-P energy: -71.026 tors. eta vs tors. theta energy: -121.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1175.999985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.999985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.999985 (E_RNA) where: Base-Base interactions energy: -741.165 where: short stacking energy: -354.430 Base-Backbone interact. energy: -1.799 local terms energy: -433.035469 where: bonds (distance) C4'-P energy: -94.731 bonds (distance) P-C4' energy: -97.123 flat angles C4'-P-C4' energy: -88.532 flat angles P-C4'-P energy: -61.034 tors. eta vs tors. theta energy: -91.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1045.691146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.691146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.691146 (E_RNA) where: Base-Base interactions energy: -659.589 where: short stacking energy: -289.642 Base-Backbone interact. energy: -2.146 local terms energy: -383.956260 where: bonds (distance) C4'-P energy: -75.306 bonds (distance) P-C4' energy: -92.828 flat angles C4'-P-C4' energy: -83.156 flat angles P-C4'-P energy: -55.280 tors. eta vs tors. theta energy: -77.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -907.513836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.513836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.513836 (E_RNA) where: Base-Base interactions energy: -530.134 where: short stacking energy: -263.250 Base-Backbone interact. energy: -1.588 local terms energy: -375.791490 where: bonds (distance) C4'-P energy: -90.021 bonds (distance) P-C4' energy: -93.399 flat angles C4'-P-C4' energy: -87.072 flat angles P-C4'-P energy: -62.278 tors. eta vs tors. theta energy: -43.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -842.798641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.798641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.798641 (E_RNA) where: Base-Base interactions energy: -505.715 where: short stacking energy: -272.114 Base-Backbone interact. energy: -1.491 local terms energy: -335.592670 where: bonds (distance) C4'-P energy: -68.839 bonds (distance) P-C4' energy: -94.941 flat angles C4'-P-C4' energy: -90.816 flat angles P-C4'-P energy: -48.777 tors. eta vs tors. theta energy: -32.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -706.706090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.706090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.706090 (E_RNA) where: Base-Base interactions energy: -394.562 where: short stacking energy: -208.700 Base-Backbone interact. energy: -0.767 local terms energy: -311.377404 where: bonds (distance) C4'-P energy: -72.074 bonds (distance) P-C4' energy: -88.591 flat angles C4'-P-C4' energy: -78.374 flat angles P-C4'-P energy: -43.180 tors. eta vs tors. theta energy: -29.160 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: 1 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -627.136340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.136340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.136340 (E_RNA) where: Base-Base interactions energy: -340.262 where: short stacking energy: -185.288 Base-Backbone interact. energy: -0.469 local terms energy: -286.405075 where: bonds (distance) C4'-P energy: -76.280 bonds (distance) P-C4' energy: -74.304 flat angles C4'-P-C4' energy: -86.021 flat angles P-C4'-P energy: -39.386 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: 10, replica: 8 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -508.793652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.793652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.793652 (E_RNA) where: Base-Base interactions energy: -259.844 where: short stacking energy: -135.240 Base-Backbone interact. energy: 1.428 local terms energy: -250.378006 where: bonds (distance) C4'-P energy: -73.375 bonds (distance) P-C4' energy: -86.491 flat angles C4'-P-C4' energy: -65.609 flat angles P-C4'-P energy: -38.785 tors. eta vs tors. theta energy: 13.882 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: 240 Temperature: 0.900000 Total energy: -1534.510611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.510611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.510611 (E_RNA) where: Base-Base interactions energy: -1032.406 where: short stacking energy: -465.227 Base-Backbone interact. energy: 0.324 local terms energy: -502.428295 where: bonds (distance) C4'-P energy: -96.320 bonds (distance) P-C4' energy: -91.017 flat angles C4'-P-C4' energy: -119.097 flat angles P-C4'-P energy: -67.672 tors. eta vs tors. theta energy: -128.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1370.544763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.544763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.544763 (E_RNA) where: Base-Base interactions energy: -893.326 where: short stacking energy: -420.871 Base-Backbone interact. energy: -1.796 local terms energy: -475.423001 where: bonds (distance) C4'-P energy: -90.235 bonds (distance) P-C4' energy: -99.423 flat angles C4'-P-C4' energy: -91.283 flat angles P-C4'-P energy: -70.122 tors. eta vs tors. theta energy: -124.360 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: 9 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1315.421343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.421343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.421343 (E_RNA) where: Base-Base interactions energy: -862.781 where: short stacking energy: -417.255 Base-Backbone interact. energy: 0.199 local terms energy: -452.839284 where: bonds (distance) C4'-P energy: -76.477 bonds (distance) P-C4' energy: -104.921 flat angles C4'-P-C4' energy: -94.581 flat angles P-C4'-P energy: -62.796 tors. eta vs tors. theta energy: -114.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1141.048543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.048543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.048543 (E_RNA) where: Base-Base interactions energy: -707.199 where: short stacking energy: -322.859 Base-Backbone interact. energy: -0.921 local terms energy: -432.928642 where: bonds (distance) C4'-P energy: -94.128 bonds (distance) P-C4' energy: -94.617 flat angles C4'-P-C4' energy: -94.956 flat angles P-C4'-P energy: -56.793 tors. eta vs tors. theta energy: -92.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -1030.729177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.729177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.729177 (E_RNA) where: Base-Base interactions energy: -641.895 where: short stacking energy: -306.013 Base-Backbone interact. energy: 0.806 local terms energy: -389.640170 where: bonds (distance) C4'-P energy: -89.705 bonds (distance) P-C4' energy: -78.544 flat angles C4'-P-C4' energy: -90.585 flat angles P-C4'-P energy: -61.563 tors. eta vs tors. theta energy: -69.244 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: 6 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -854.703763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.703763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.703763 (E_RNA) where: Base-Base interactions energy: -496.106 where: short stacking energy: -253.046 Base-Backbone interact. energy: -1.367 local terms energy: -357.230641 where: bonds (distance) C4'-P energy: -93.633 bonds (distance) P-C4' energy: -85.316 flat angles C4'-P-C4' energy: -88.313 flat angles P-C4'-P energy: -48.987 tors. eta vs tors. theta energy: -40.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -917.967047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.967047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.967047 (E_RNA) where: Base-Base interactions energy: -555.865 where: short stacking energy: -269.647 Base-Backbone interact. energy: -1.189 local terms energy: -360.913234 where: bonds (distance) C4'-P energy: -94.872 bonds (distance) P-C4' energy: -76.843 flat angles C4'-P-C4' energy: -101.300 flat angles P-C4'-P energy: -35.031 tors. eta vs tors. theta energy: -52.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -718.436008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.436008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.436008 (E_RNA) where: Base-Base interactions energy: -385.555 where: short stacking energy: -194.196 Base-Backbone interact. energy: -2.232 local terms energy: -330.648671 where: bonds (distance) C4'-P energy: -88.345 bonds (distance) P-C4' energy: -79.291 flat angles C4'-P-C4' energy: -89.487 flat angles P-C4'-P energy: -58.525 tors. eta vs tors. theta energy: -15.001 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: 1 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -627.320589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.320589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.320589 (E_RNA) where: Base-Base interactions energy: -330.571 where: short stacking energy: -198.649 Base-Backbone interact. energy: 0.065 local terms energy: -296.813813 where: bonds (distance) C4'-P energy: -87.832 bonds (distance) P-C4' energy: -69.649 flat angles C4'-P-C4' energy: -75.019 flat angles P-C4'-P energy: -44.851 tors. eta vs tors. theta energy: -19.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -490.539169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.539169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.539169 (E_RNA) where: Base-Base interactions energy: -236.970 where: short stacking energy: -134.972 Base-Backbone interact. energy: 0.114 local terms energy: -253.683215 where: bonds (distance) C4'-P energy: -74.851 bonds (distance) P-C4' energy: -81.802 flat angles C4'-P-C4' energy: -62.124 flat angles P-C4'-P energy: -46.569 tors. eta vs tors. theta energy: 11.663 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: 5 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1520.409593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.409593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.409593 (E_RNA) where: Base-Base interactions energy: -1008.397 where: short stacking energy: -451.023 Base-Backbone interact. energy: -4.428 local terms energy: -507.584139 where: bonds (distance) C4'-P energy: -101.418 bonds (distance) P-C4' energy: -89.270 flat angles C4'-P-C4' energy: -112.531 flat angles P-C4'-P energy: -66.035 tors. eta vs tors. theta energy: -138.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1374.969540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.969540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.969540 (E_RNA) where: Base-Base interactions energy: -879.575 where: short stacking energy: -434.916 Base-Backbone interact. energy: -2.578 local terms energy: -492.816921 where: bonds (distance) C4'-P energy: -86.885 bonds (distance) P-C4' energy: -95.406 flat angles C4'-P-C4' energy: -97.554 flat angles P-C4'-P energy: -78.027 tors. eta vs tors. theta energy: -134.945 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: 241 Temperature: 1.000000 Total energy: -1330.275720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.275720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.275720 (E_RNA) where: Base-Base interactions energy: -862.227 where: short stacking energy: -420.441 Base-Backbone interact. energy: 0.545 local terms energy: -468.593908 where: bonds (distance) C4'-P energy: -98.659 bonds (distance) P-C4' energy: -83.343 flat angles C4'-P-C4' energy: -101.944 flat angles P-C4'-P energy: -65.923 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: 3 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1197.071003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.071003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.071003 (E_RNA) where: Base-Base interactions energy: -740.771 where: short stacking energy: -376.208 Base-Backbone interact. energy: -0.553 local terms energy: -455.747423 where: bonds (distance) C4'-P energy: -101.710 bonds (distance) P-C4' energy: -95.290 flat angles C4'-P-C4' energy: -101.861 flat angles P-C4'-P energy: -65.789 tors. eta vs tors. theta energy: -91.098 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: 5, replica: 10 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1031.443199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.443199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.443199 (E_RNA) where: Base-Base interactions energy: -640.638 where: short stacking energy: -276.400 Base-Backbone interact. energy: -3.420 local terms energy: -387.384752 where: bonds (distance) C4'-P energy: -81.743 bonds (distance) P-C4' energy: -84.192 flat angles C4'-P-C4' energy: -92.968 flat angles P-C4'-P energy: -57.390 tors. eta vs tors. theta energy: -71.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -888.271860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.271860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.271860 (E_RNA) where: Base-Base interactions energy: -530.974 where: short stacking energy: -268.330 Base-Backbone interact. energy: -1.172 local terms energy: -356.125568 where: bonds (distance) C4'-P energy: -78.876 bonds (distance) P-C4' energy: -80.544 flat angles C4'-P-C4' energy: -90.146 flat angles P-C4'-P energy: -58.960 tors. eta vs tors. theta energy: -47.600 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: 7 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -972.632782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.632782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.632782 (E_RNA) where: Base-Base interactions energy: -616.137 where: short stacking energy: -296.253 Base-Backbone interact. energy: -0.755 local terms energy: -355.740794 where: bonds (distance) C4'-P energy: -86.198 bonds (distance) P-C4' energy: -82.385 flat angles C4'-P-C4' energy: -89.513 flat angles P-C4'-P energy: -50.604 tors. eta vs tors. theta energy: -47.041 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: 241 Temperature: 1.250000 Total energy: -689.850467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.850467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.850467 (E_RNA) where: Base-Base interactions energy: -399.458 where: short stacking energy: -225.000 Base-Backbone interact. energy: 0.134 local terms energy: -290.526108 where: bonds (distance) C4'-P energy: -56.885 bonds (distance) P-C4' energy: -85.798 flat angles C4'-P-C4' energy: -74.059 flat angles P-C4'-P energy: -51.195 tors. eta vs tors. theta energy: -22.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -614.772569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.772569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.772569 (E_RNA) where: Base-Base interactions energy: -319.218 where: short stacking energy: -185.343 Base-Backbone interact. energy: 4.655 local terms energy: -300.209416 where: bonds (distance) C4'-P energy: -80.003 bonds (distance) P-C4' energy: -81.627 flat angles C4'-P-C4' energy: -74.321 flat angles P-C4'-P energy: -55.689 tors. eta vs tors. theta energy: -8.570 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: 8 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -506.120572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.120572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.120572 (E_RNA) where: Base-Base interactions energy: -253.692 where: short stacking energy: -132.917 Base-Backbone interact. energy: 2.707 local terms energy: -255.135669 where: bonds (distance) C4'-P energy: -84.541 bonds (distance) P-C4' energy: -80.753 flat angles C4'-P-C4' energy: -73.052 flat angles P-C4'-P energy: -35.048 tors. eta vs tors. theta energy: 18.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1519.131668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.131668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.131668 (E_RNA) where: Base-Base interactions energy: -1008.590 where: short stacking energy: -459.156 Base-Backbone interact. energy: 0.205 local terms energy: -510.747024 where: bonds (distance) C4'-P energy: -92.162 bonds (distance) P-C4' energy: -105.576 flat angles C4'-P-C4' energy: -109.912 flat angles P-C4'-P energy: -71.302 tors. eta vs tors. theta energy: -131.795 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: 2, replica: 2 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1388.901774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.901774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.901774 (E_RNA) where: Base-Base interactions energy: -907.971 where: short stacking energy: -418.989 Base-Backbone interact. energy: -0.901 local terms energy: -480.030199 where: bonds (distance) C4'-P energy: -90.766 bonds (distance) P-C4' energy: -77.220 flat angles C4'-P-C4' energy: -109.634 flat angles P-C4'-P energy: -72.557 tors. eta vs tors. theta energy: -129.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1353.932147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.932147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.932147 (E_RNA) where: Base-Base interactions energy: -885.792 where: short stacking energy: -406.686 Base-Backbone interact. energy: -3.429 local terms energy: -464.711453 where: bonds (distance) C4'-P energy: -88.058 bonds (distance) P-C4' energy: -103.737 flat angles C4'-P-C4' energy: -90.365 flat angles P-C4'-P energy: -70.366 tors. eta vs tors. theta energy: -112.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1163.979399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.979399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.979399 (E_RNA) where: Base-Base interactions energy: -703.178 where: short stacking energy: -335.431 Base-Backbone interact. energy: 1.244 local terms energy: -462.045831 where: bonds (distance) C4'-P energy: -98.461 bonds (distance) P-C4' energy: -104.001 flat angles C4'-P-C4' energy: -96.926 flat angles P-C4'-P energy: -70.402 tors. eta vs tors. theta energy: -92.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -1039.082473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.082473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.082473 (E_RNA) where: Base-Base interactions energy: -646.108 where: short stacking energy: -280.067 Base-Backbone interact. energy: -2.235 local terms energy: -390.739394 where: bonds (distance) C4'-P energy: -82.811 bonds (distance) P-C4' energy: -87.908 flat angles C4'-P-C4' energy: -93.070 flat angles P-C4'-P energy: -56.843 tors. eta vs tors. theta energy: -70.106 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: 6 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -859.890938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.890938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.890938 (E_RNA) where: Base-Base interactions energy: -512.437 where: short stacking energy: -250.721 Base-Backbone interact. energy: 3.135 local terms energy: -350.588967 where: bonds (distance) C4'-P energy: -79.141 bonds (distance) P-C4' energy: -86.204 flat angles C4'-P-C4' energy: -87.325 flat angles P-C4'-P energy: -46.376 tors. eta vs tors. theta energy: -51.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -927.809846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.809846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.809846 (E_RNA) where: Base-Base interactions energy: -586.866 where: short stacking energy: -280.726 Base-Backbone interact. energy: -1.802 local terms energy: -339.141347 where: bonds (distance) C4'-P energy: -80.143 bonds (distance) P-C4' energy: -84.867 flat angles C4'-P-C4' energy: -74.087 flat angles P-C4'-P energy: -38.000 tors. eta vs tors. theta energy: -62.045 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: 4 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -653.082640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.082640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.082640 (E_RNA) where: Base-Base interactions energy: -341.874 where: short stacking energy: -187.864 Base-Backbone interact. energy: 5.973 local terms energy: -317.180908 where: bonds (distance) C4'-P energy: -69.106 bonds (distance) P-C4' energy: -81.769 flat angles C4'-P-C4' energy: -84.871 flat angles P-C4'-P energy: -58.176 tors. eta vs tors. theta energy: -23.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -615.000700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.000700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.000700 (E_RNA) where: Base-Base interactions energy: -299.417 where: short stacking energy: -168.175 Base-Backbone interact. energy: -1.529 local terms energy: -314.054511 where: bonds (distance) C4'-P energy: -65.269 bonds (distance) P-C4' energy: -99.973 flat angles C4'-P-C4' energy: -82.696 flat angles P-C4'-P energy: -48.600 tors. eta vs tors. theta energy: -17.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -437.857216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.857216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.857216 (E_RNA) where: Base-Base interactions energy: -193.890 where: short stacking energy: -111.976 Base-Backbone interact. energy: 0.828 local terms energy: -244.795920 where: bonds (distance) C4'-P energy: -81.975 bonds (distance) P-C4' energy: -85.592 flat angles C4'-P-C4' energy: -43.081 flat angles P-C4'-P energy: -45.027 tors. eta vs tors. theta energy: 10.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1529.653385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.653385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.653385 (E_RNA) where: Base-Base interactions energy: -1037.540 where: short stacking energy: -488.147 Base-Backbone interact. energy: 1.020 local terms energy: -493.133527 where: bonds (distance) C4'-P energy: -93.346 bonds (distance) P-C4' energy: -94.288 flat angles C4'-P-C4' energy: -105.581 flat angles P-C4'-P energy: -62.133 tors. eta vs tors. theta energy: -137.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1404.379550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.379550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.379550 (E_RNA) where: Base-Base interactions energy: -912.962 where: short stacking energy: -429.365 Base-Backbone interact. energy: -2.545 local terms energy: -488.872487 where: bonds (distance) C4'-P energy: -102.294 bonds (distance) P-C4' energy: -93.276 flat angles C4'-P-C4' energy: -107.559 flat angles P-C4'-P energy: -70.926 tors. eta vs tors. theta energy: -114.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1364.999587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.999587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.999587 (E_RNA) where: Base-Base interactions energy: -884.877 where: short stacking energy: -393.544 Base-Backbone interact. energy: -2.692 local terms energy: -477.431376 where: bonds (distance) C4'-P energy: -91.115 bonds (distance) P-C4' energy: -90.774 flat angles C4'-P-C4' energy: -101.576 flat angles P-C4'-P energy: -72.591 tors. eta vs tors. theta energy: -121.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1173.607173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.607173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.607173 (E_RNA) where: Base-Base interactions energy: -742.435 where: short stacking energy: -345.020 Base-Backbone interact. energy: -2.190 local terms energy: -428.982852 where: bonds (distance) C4'-P energy: -86.224 bonds (distance) P-C4' energy: -89.326 flat angles C4'-P-C4' energy: -92.826 flat angles P-C4'-P energy: -70.542 tors. eta vs tors. theta energy: -90.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -1071.538626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.538626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.538626 (E_RNA) where: Base-Base interactions energy: -688.353 where: short stacking energy: -312.277 Base-Backbone interact. energy: 0.655 local terms energy: -383.840013 where: bonds (distance) C4'-P energy: -90.651 bonds (distance) P-C4' energy: -73.048 flat angles C4'-P-C4' energy: -88.505 flat angles P-C4'-P energy: -55.711 tors. eta vs tors. theta energy: -75.925 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: 7 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1012.344459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.344459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.344459 (E_RNA) where: Base-Base interactions energy: -654.806 where: short stacking energy: -320.279 Base-Backbone interact. energy: -0.920 local terms energy: -356.618547 where: bonds (distance) C4'-P energy: -79.948 bonds (distance) P-C4' energy: -73.554 flat angles C4'-P-C4' energy: -80.941 flat angles P-C4'-P energy: -50.342 tors. eta vs tors. theta energy: -71.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -850.496501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.496501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.496501 (E_RNA) where: Base-Base interactions energy: -485.359 where: short stacking energy: -253.618 Base-Backbone interact. energy: -1.210 local terms energy: -363.927762 where: bonds (distance) C4'-P energy: -80.855 bonds (distance) P-C4' energy: -91.150 flat angles C4'-P-C4' energy: -76.031 flat angles P-C4'-P energy: -62.265 tors. eta vs tors. theta energy: -53.627 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: 8, replica: 1 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -698.268649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.268649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.268649 (E_RNA) where: Base-Base interactions energy: -402.520 where: short stacking energy: -211.378 Base-Backbone interact. energy: -1.049 local terms energy: -294.699707 where: bonds (distance) C4'-P energy: -77.601 bonds (distance) P-C4' energy: -85.929 flat angles C4'-P-C4' energy: -60.253 flat angles P-C4'-P energy: -53.352 tors. eta vs tors. theta energy: -17.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -616.613302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.613302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.613302 (E_RNA) where: Base-Base interactions energy: -364.867 where: short stacking energy: -165.418 Base-Backbone interact. energy: 8.208 local terms energy: -259.953989 where: bonds (distance) C4'-P energy: -72.625 bonds (distance) P-C4' energy: -83.718 flat angles C4'-P-C4' energy: -56.146 flat angles P-C4'-P energy: -41.999 tors. eta vs tors. theta energy: -5.467 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: 8 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -485.670757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.670757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.670757 (E_RNA) where: Base-Base interactions energy: -224.963 where: short stacking energy: -133.232 Base-Backbone interact. energy: -1.314 local terms energy: -259.394077 where: bonds (distance) C4'-P energy: -73.022 bonds (distance) P-C4' energy: -87.932 flat angles C4'-P-C4' energy: -62.440 flat angles P-C4'-P energy: -40.470 tors. eta vs tors. theta energy: 4.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1553.751230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.751230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.751230 (E_RNA) where: Base-Base interactions energy: -1041.969 where: short stacking energy: -465.031 Base-Backbone interact. energy: -1.709 local terms energy: -510.073764 where: bonds (distance) C4'-P energy: -89.991 bonds (distance) P-C4' energy: -104.633 flat angles C4'-P-C4' energy: -113.945 flat angles P-C4'-P energy: -70.988 tors. eta vs tors. theta energy: -130.516 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: 9 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1412.679594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.679594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.679594 (E_RNA) where: Base-Base interactions energy: -933.055 where: short stacking energy: -430.242 Base-Backbone interact. energy: -0.789 local terms energy: -478.835090 where: bonds (distance) C4'-P energy: -90.147 bonds (distance) P-C4' energy: -95.906 flat angles C4'-P-C4' energy: -102.703 flat angles P-C4'-P energy: -73.293 tors. eta vs tors. theta energy: -116.787 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: 244 Temperature: 1.000000 Total energy: -1325.020299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.020299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.020299 (E_RNA) where: Base-Base interactions energy: -867.662 where: short stacking energy: -409.010 Base-Backbone interact. energy: -1.644 local terms energy: -455.713954 where: bonds (distance) C4'-P energy: -82.178 bonds (distance) P-C4' energy: -90.018 flat angles C4'-P-C4' energy: -109.991 flat angles P-C4'-P energy: -57.212 tors. eta vs tors. theta energy: -116.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1156.964258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.964258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.964258 (E_RNA) where: Base-Base interactions energy: -718.585 where: short stacking energy: -344.624 Base-Backbone interact. energy: -1.283 local terms energy: -437.096242 where: bonds (distance) C4'-P energy: -83.992 bonds (distance) P-C4' energy: -95.315 flat angles C4'-P-C4' energy: -107.689 flat angles P-C4'-P energy: -65.630 tors. eta vs tors. theta energy: -84.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -1062.279437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.279437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.279437 (E_RNA) where: Base-Base interactions energy: -660.219 where: short stacking energy: -301.965 Base-Backbone interact. energy: 0.506 local terms energy: -402.565808 where: bonds (distance) C4'-P energy: -75.897 bonds (distance) P-C4' energy: -92.970 flat angles C4'-P-C4' energy: -90.980 flat angles P-C4'-P energy: -67.053 tors. eta vs tors. theta energy: -75.667 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: 6, replica: 7 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -986.101668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.101668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.101668 (E_RNA) where: Base-Base interactions energy: -599.092 where: short stacking energy: -287.775 Base-Backbone interact. energy: -1.642 local terms energy: -385.367026 where: bonds (distance) C4'-P energy: -91.402 bonds (distance) P-C4' energy: -92.323 flat angles C4'-P-C4' energy: -95.698 flat angles P-C4'-P energy: -46.728 tors. eta vs tors. theta energy: -59.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -779.834752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.834752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.834752 (E_RNA) where: Base-Base interactions energy: -455.359 where: short stacking energy: -216.357 Base-Backbone interact. energy: 3.244 local terms energy: -327.719889 where: bonds (distance) C4'-P energy: -71.493 bonds (distance) P-C4' energy: -102.458 flat angles C4'-P-C4' energy: -75.765 flat angles P-C4'-P energy: -56.721 tors. eta vs tors. theta energy: -21.283 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: 1 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -696.956290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.956290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.956290 (E_RNA) where: Base-Base interactions energy: -370.705 where: short stacking energy: -186.551 Base-Backbone interact. energy: -0.792 local terms energy: -325.459444 where: bonds (distance) C4'-P energy: -90.225 bonds (distance) P-C4' energy: -89.872 flat angles C4'-P-C4' energy: -69.954 flat angles P-C4'-P energy: -51.537 tors. eta vs tors. theta energy: -23.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -492.897121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.897121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.897121 (E_RNA) where: Base-Base interactions energy: -226.009 where: short stacking energy: -125.729 Base-Backbone interact. energy: 0.683 local terms energy: -267.571250 where: bonds (distance) C4'-P energy: -80.048 bonds (distance) P-C4' energy: -86.022 flat angles C4'-P-C4' energy: -73.281 flat angles P-C4'-P energy: -24.567 tors. eta vs tors. theta energy: -3.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -513.359287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.359287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.359287 (E_RNA) where: Base-Base interactions energy: -265.268 where: short stacking energy: -142.377 Base-Backbone interact. energy: 4.307 local terms energy: -252.398915 where: bonds (distance) C4'-P energy: -75.069 bonds (distance) P-C4' energy: -72.007 flat angles C4'-P-C4' energy: -69.533 flat angles P-C4'-P energy: -41.160 tors. eta vs tors. theta energy: 5.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1522.858333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.858333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.858333 (E_RNA) where: Base-Base interactions energy: -1043.244 where: short stacking energy: -469.925 Base-Backbone interact. energy: -1.429 local terms energy: -478.185993 where: bonds (distance) C4'-P energy: -79.635 bonds (distance) P-C4' energy: -103.644 flat angles C4'-P-C4' energy: -100.770 flat angles P-C4'-P energy: -65.098 tors. eta vs tors. theta energy: -129.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -1391.159278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.159278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.159278 (E_RNA) where: Base-Base interactions energy: -917.088 where: short stacking energy: -403.046 Base-Backbone interact. energy: -4.574 local terms energy: -469.497289 where: bonds (distance) C4'-P energy: -91.735 bonds (distance) P-C4' energy: -91.186 flat angles C4'-P-C4' energy: -101.706 flat angles P-C4'-P energy: -77.756 tors. eta vs tors. theta energy: -107.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1337.461182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.461182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.461182 (E_RNA) where: Base-Base interactions energy: -874.516 where: short stacking energy: -403.774 Base-Backbone interact. energy: -2.052 local terms energy: -460.893061 where: bonds (distance) C4'-P energy: -93.699 bonds (distance) P-C4' energy: -73.028 flat angles C4'-P-C4' energy: -107.927 flat angles P-C4'-P energy: -70.395 tors. eta vs tors. theta energy: -115.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1170.083919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.083919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.083919 (E_RNA) where: Base-Base interactions energy: -745.193 where: short stacking energy: -361.653 Base-Backbone interact. energy: -1.496 local terms energy: -423.395021 where: bonds (distance) C4'-P energy: -84.390 bonds (distance) P-C4' energy: -82.372 flat angles C4'-P-C4' energy: -96.428 flat angles P-C4'-P energy: -61.158 tors. eta vs tors. theta energy: -99.048 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: 10 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -1079.652097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.652097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.652097 (E_RNA) where: Base-Base interactions energy: -679.578 where: short stacking energy: -298.187 Base-Backbone interact. energy: -3.039 local terms energy: -397.035723 where: bonds (distance) C4'-P energy: -78.300 bonds (distance) P-C4' energy: -99.438 flat angles C4'-P-C4' energy: -85.183 flat angles P-C4'-P energy: -68.544 tors. eta vs tors. theta energy: -65.571 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: 7 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1022.752596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.752596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.752596 (E_RNA) where: Base-Base interactions energy: -641.276 where: short stacking energy: -278.484 Base-Backbone interact. energy: 0.256 local terms energy: -381.732242 where: bonds (distance) C4'-P energy: -95.783 bonds (distance) P-C4' energy: -79.397 flat angles C4'-P-C4' energy: -91.951 flat angles P-C4'-P energy: -53.511 tors. eta vs tors. theta energy: -61.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -810.620959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.620959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.620959 (E_RNA) where: Base-Base interactions energy: -456.554 where: short stacking energy: -224.567 Base-Backbone interact. energy: -1.639 local terms energy: -352.428343 where: bonds (distance) C4'-P energy: -78.795 bonds (distance) P-C4' energy: -75.440 flat angles C4'-P-C4' energy: -85.874 flat angles P-C4'-P energy: -61.409 tors. eta vs tors. theta energy: -50.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -701.337236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.337236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.337236 (E_RNA) where: Base-Base interactions energy: -400.825 where: short stacking energy: -218.536 Base-Backbone interact. energy: -3.140 local terms energy: -297.372166 where: bonds (distance) C4'-P energy: -76.994 bonds (distance) P-C4' energy: -71.147 flat angles C4'-P-C4' energy: -81.290 flat angles P-C4'-P energy: -44.172 tors. eta vs tors. theta energy: -23.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -509.383873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.383873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.383873 (E_RNA) where: Base-Base interactions energy: -254.897 where: short stacking energy: -143.628 Base-Backbone interact. energy: -0.255 local terms energy: -254.231941 where: bonds (distance) C4'-P energy: -78.116 bonds (distance) P-C4' energy: -78.698 flat angles C4'-P-C4' energy: -62.357 flat angles P-C4'-P energy: -33.136 tors. eta vs tors. theta energy: -1.925 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: 245 Temperature: 1.350000 Total energy: -501.394806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.394806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.394806 (E_RNA) where: Base-Base interactions energy: -240.224 where: short stacking energy: -134.756 Base-Backbone interact. energy: -0.215 local terms energy: -260.955594 where: bonds (distance) C4'-P energy: -81.809 bonds (distance) P-C4' energy: -73.121 flat angles C4'-P-C4' energy: -71.097 flat angles P-C4'-P energy: -38.770 tors. eta vs tors. theta energy: 3.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1498.592673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.592673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.592673 (E_RNA) where: Base-Base interactions energy: -978.158 where: short stacking energy: -452.358 Base-Backbone interact. energy: -2.543 local terms energy: -517.892245 where: bonds (distance) C4'-P energy: -102.791 bonds (distance) P-C4' energy: -105.245 flat angles C4'-P-C4' energy: -103.566 flat angles P-C4'-P energy: -74.580 tors. eta vs tors. theta energy: -131.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1429.311577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.311577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.311577 (E_RNA) where: Base-Base interactions energy: -966.770 where: short stacking energy: -426.946 Base-Backbone interact. energy: -0.376 local terms energy: -462.165703 where: bonds (distance) C4'-P energy: -85.948 bonds (distance) P-C4' energy: -102.295 flat angles C4'-P-C4' energy: -97.828 flat angles P-C4'-P energy: -64.248 tors. eta vs tors. theta energy: -111.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1317.887142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.887142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.887142 (E_RNA) where: Base-Base interactions energy: -865.823 where: short stacking energy: -372.981 Base-Backbone interact. energy: -2.879 local terms energy: -449.185353 where: bonds (distance) C4'-P energy: -92.073 bonds (distance) P-C4' energy: -82.670 flat angles C4'-P-C4' energy: -91.907 flat angles P-C4'-P energy: -73.125 tors. eta vs tors. theta energy: -109.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1143.852564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.852564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.852564 (E_RNA) where: Base-Base interactions energy: -714.774 where: short stacking energy: -352.704 Base-Backbone interact. energy: -1.173 local terms energy: -427.905453 where: bonds (distance) C4'-P energy: -91.807 bonds (distance) P-C4' energy: -96.126 flat angles C4'-P-C4' energy: -95.007 flat angles P-C4'-P energy: -61.775 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: 5, replica: 10 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -1057.330777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.330777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.330777 (E_RNA) where: Base-Base interactions energy: -656.534 where: short stacking energy: -317.677 Base-Backbone interact. energy: -0.645 local terms energy: -400.151727 where: bonds (distance) C4'-P energy: -72.640 bonds (distance) P-C4' energy: -89.904 flat angles C4'-P-C4' energy: -94.289 flat angles P-C4'-P energy: -68.692 tors. eta vs tors. theta energy: -74.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -997.652937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.652937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.652937 (E_RNA) where: Base-Base interactions energy: -642.257 where: short stacking energy: -287.618 Base-Backbone interact. energy: -3.597 local terms energy: -351.798455 where: bonds (distance) C4'-P energy: -83.557 bonds (distance) P-C4' energy: -81.546 flat angles C4'-P-C4' energy: -79.666 flat angles P-C4'-P energy: -46.861 tors. eta vs tors. theta energy: -60.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -818.218352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.218352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.218352 (E_RNA) where: Base-Base interactions energy: -494.595 where: short stacking energy: -236.654 Base-Backbone interact. energy: 0.184 local terms energy: -323.807892 where: bonds (distance) C4'-P energy: -76.266 bonds (distance) P-C4' energy: -71.895 flat angles C4'-P-C4' energy: -93.470 flat angles P-C4'-P energy: -58.103 tors. eta vs tors. theta energy: -24.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -719.618402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.618402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.618402 (E_RNA) where: Base-Base interactions energy: -416.825 where: short stacking energy: -215.634 Base-Backbone interact. energy: 5.503 local terms energy: -308.296159 where: bonds (distance) C4'-P energy: -70.528 bonds (distance) P-C4' energy: -79.082 flat angles C4'-P-C4' energy: -85.765 flat angles P-C4'-P energy: -47.024 tors. eta vs tors. theta energy: -25.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -544.133915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.133915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.133915 (E_RNA) where: Base-Base interactions energy: -281.361 where: short stacking energy: -158.887 Base-Backbone interact. energy: 1.733 local terms energy: -264.505591 where: bonds (distance) C4'-P energy: -66.555 bonds (distance) P-C4' energy: -80.624 flat angles C4'-P-C4' energy: -58.273 flat angles P-C4'-P energy: -42.934 tors. eta vs tors. theta energy: -16.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -479.322378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.322378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.322378 (E_RNA) where: Base-Base interactions energy: -239.631 where: short stacking energy: -153.583 Base-Backbone interact. energy: -0.874 local terms energy: -238.817545 where: bonds (distance) C4'-P energy: -59.771 bonds (distance) P-C4' energy: -86.861 flat angles C4'-P-C4' energy: -52.810 flat angles P-C4'-P energy: -36.847 tors. eta vs tors. theta energy: -2.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1508.190906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.190906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.190906 (E_RNA) where: Base-Base interactions energy: -999.185 where: short stacking energy: -462.950 Base-Backbone interact. energy: -2.967 local terms energy: -506.039585 where: bonds (distance) C4'-P energy: -102.419 bonds (distance) P-C4' energy: -92.594 flat angles C4'-P-C4' energy: -113.275 flat angles P-C4'-P energy: -68.252 tors. eta vs tors. theta energy: -129.499 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: 2, replica: 9 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1397.988883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.988883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.988883 (E_RNA) where: Base-Base interactions energy: -920.208 where: short stacking energy: -417.903 Base-Backbone interact. energy: 0.911 local terms energy: -478.692005 where: bonds (distance) C4'-P energy: -87.783 bonds (distance) P-C4' energy: -90.005 flat angles C4'-P-C4' energy: -99.740 flat angles P-C4'-P energy: -73.616 tors. eta vs tors. theta energy: -127.547 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: 3, replica: 2 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1346.538700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.538700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.538700 (E_RNA) where: Base-Base interactions energy: -884.969 where: short stacking energy: -416.424 Base-Backbone interact. energy: 1.819 local terms energy: -463.388071 where: bonds (distance) C4'-P energy: -90.910 bonds (distance) P-C4' energy: -85.665 flat angles C4'-P-C4' energy: -102.385 flat angles P-C4'-P energy: -70.219 tors. eta vs tors. theta energy: -114.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1158.420916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.420916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.420916 (E_RNA) where: Base-Base interactions energy: -748.242 where: short stacking energy: -365.712 Base-Backbone interact. energy: -0.930 local terms energy: -409.249173 where: bonds (distance) C4'-P energy: -83.664 bonds (distance) P-C4' energy: -91.457 flat angles C4'-P-C4' energy: -95.398 flat angles P-C4'-P energy: -49.749 tors. eta vs tors. theta energy: -88.982 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: 10 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -1042.721684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.721684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.721684 (E_RNA) where: Base-Base interactions energy: -656.457 where: short stacking energy: -303.662 Base-Backbone interact. energy: -0.783 local terms energy: -385.481706 where: bonds (distance) C4'-P energy: -87.640 bonds (distance) P-C4' energy: -101.744 flat angles C4'-P-C4' energy: -94.979 flat angles P-C4'-P energy: -32.218 tors. eta vs tors. theta energy: -68.900 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: 7 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1031.651021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.651021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.651021 (E_RNA) where: Base-Base interactions energy: -648.643 where: short stacking energy: -315.521 Base-Backbone interact. energy: -1.161 local terms energy: -381.847235 where: bonds (distance) C4'-P energy: -86.232 bonds (distance) P-C4' energy: -83.451 flat angles C4'-P-C4' energy: -80.973 flat angles P-C4'-P energy: -59.023 tors. eta vs tors. theta energy: -72.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -821.563604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.563604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.563604 (E_RNA) where: Base-Base interactions energy: -479.763 where: short stacking energy: -239.294 Base-Backbone interact. energy: -0.715 local terms energy: -341.085132 where: bonds (distance) C4'-P energy: -88.004 bonds (distance) P-C4' energy: -77.546 flat angles C4'-P-C4' energy: -86.055 flat angles P-C4'-P energy: -51.088 tors. eta vs tors. theta energy: -38.392 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: 8, replica: 1 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -699.474387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.474387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.474387 (E_RNA) where: Base-Base interactions energy: -406.207 where: short stacking energy: -202.237 Base-Backbone interact. energy: -0.786 local terms energy: -292.481326 where: bonds (distance) C4'-P energy: -83.094 bonds (distance) P-C4' energy: -75.589 flat angles C4'-P-C4' energy: -72.986 flat angles P-C4'-P energy: -37.081 tors. eta vs tors. theta energy: -23.731 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: 9, replica: 4 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -583.439176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.439176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.439176 (E_RNA) where: Base-Base interactions energy: -280.407 where: short stacking energy: -174.449 Base-Backbone interact. energy: 1.261 local terms energy: -304.293450 where: bonds (distance) C4'-P energy: -81.763 bonds (distance) P-C4' energy: -75.750 flat angles C4'-P-C4' energy: -73.406 flat angles P-C4'-P energy: -46.751 tors. eta vs tors. theta energy: -26.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -517.569495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.569495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.569495 (E_RNA) where: Base-Base interactions energy: -247.593 where: short stacking energy: -133.901 Base-Backbone interact. energy: -0.850 local terms energy: -269.126383 where: bonds (distance) C4'-P energy: -68.140 bonds (distance) P-C4' energy: -76.530 flat angles C4'-P-C4' energy: -69.411 flat angles P-C4'-P energy: -46.825 tors. eta vs tors. theta energy: -8.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1500.726532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.726532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.726532 (E_RNA) where: Base-Base interactions energy: -1000.008 where: short stacking energy: -440.178 Base-Backbone interact. energy: -1.052 local terms energy: -499.666412 where: bonds (distance) C4'-P energy: -105.499 bonds (distance) P-C4' energy: -90.360 flat angles C4'-P-C4' energy: -106.296 flat angles P-C4'-P energy: -68.911 tors. eta vs tors. theta energy: -128.601 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: 2, replica: 9 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1422.102512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.102512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.102512 (E_RNA) where: Base-Base interactions energy: -935.902 where: short stacking energy: -418.148 Base-Backbone interact. energy: -1.368 local terms energy: -484.833056 where: bonds (distance) C4'-P energy: -91.103 bonds (distance) P-C4' energy: -96.276 flat angles C4'-P-C4' energy: -101.143 flat angles P-C4'-P energy: -63.641 tors. eta vs tors. theta energy: -132.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1267.915759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.915759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.915759 (E_RNA) where: Base-Base interactions energy: -815.460 where: short stacking energy: -352.174 Base-Backbone interact. energy: -2.550 local terms energy: -449.906225 where: bonds (distance) C4'-P energy: -96.828 bonds (distance) P-C4' energy: -95.083 flat angles C4'-P-C4' energy: -103.373 flat angles P-C4'-P energy: -60.186 tors. eta vs tors. theta energy: -94.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -1202.994252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.994252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.994252 (E_RNA) where: Base-Base interactions energy: -764.226 where: short stacking energy: -371.146 Base-Backbone interact. energy: -0.425 local terms energy: -438.342850 where: bonds (distance) C4'-P energy: -83.925 bonds (distance) P-C4' energy: -99.654 flat angles C4'-P-C4' energy: -86.291 flat angles P-C4'-P energy: -64.305 tors. eta vs tors. theta energy: -104.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -1077.055294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.055294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.055294 (E_RNA) where: Base-Base interactions energy: -663.369 where: short stacking energy: -319.949 Base-Backbone interact. energy: 3.582 local terms energy: -417.268715 where: bonds (distance) C4'-P energy: -92.418 bonds (distance) P-C4' energy: -93.132 flat angles C4'-P-C4' energy: -91.260 flat angles P-C4'-P energy: -64.307 tors. eta vs tors. theta energy: -76.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -967.939076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.939076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.939076 (E_RNA) where: Base-Base interactions energy: -594.987 where: short stacking energy: -270.131 Base-Backbone interact. energy: -1.478 local terms energy: -371.474791 where: bonds (distance) C4'-P energy: -95.159 bonds (distance) P-C4' energy: -78.810 flat angles C4'-P-C4' energy: -81.365 flat angles P-C4'-P energy: -56.315 tors. eta vs tors. theta energy: -59.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -774.497842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.497842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.497842 (E_RNA) where: Base-Base interactions energy: -446.863 where: short stacking energy: -242.328 Base-Backbone interact. energy: 3.188 local terms energy: -330.823822 where: bonds (distance) C4'-P energy: -83.728 bonds (distance) P-C4' energy: -82.461 flat angles C4'-P-C4' energy: -80.661 flat angles P-C4'-P energy: -51.121 tors. eta vs tors. theta energy: -32.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -702.755043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.755043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.755043 (E_RNA) where: Base-Base interactions energy: -391.253 where: short stacking energy: -204.511 Base-Backbone interact. energy: -2.763 local terms energy: -308.738682 where: bonds (distance) C4'-P energy: -64.590 bonds (distance) P-C4' energy: -83.839 flat angles C4'-P-C4' energy: -84.874 flat angles P-C4'-P energy: -51.656 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: 8 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -510.362617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.362617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.362617 (E_RNA) where: Base-Base interactions energy: -247.446 where: short stacking energy: -140.375 Base-Backbone interact. energy: -2.590 local terms energy: -260.326339 where: bonds (distance) C4'-P energy: -91.697 bonds (distance) P-C4' energy: -79.129 flat angles C4'-P-C4' energy: -73.381 flat angles P-C4'-P energy: -26.220 tors. eta vs tors. theta energy: 10.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -470.026328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.026328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.026328 (E_RNA) where: Base-Base interactions energy: -229.102 where: short stacking energy: -134.805 Base-Backbone interact. energy: -2.854 local terms energy: -238.070761 where: bonds (distance) C4'-P energy: -59.174 bonds (distance) P-C4' energy: -73.822 flat angles C4'-P-C4' energy: -71.362 flat angles P-C4'-P energy: -39.031 tors. eta vs tors. theta energy: 5.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1511.211665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.211665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.211665 (E_RNA) where: Base-Base interactions energy: -1000.928 where: short stacking energy: -449.763 Base-Backbone interact. energy: -2.319 local terms energy: -507.964903 where: bonds (distance) C4'-P energy: -97.969 bonds (distance) P-C4' energy: -110.489 flat angles C4'-P-C4' energy: -100.422 flat angles P-C4'-P energy: -67.829 tors. eta vs tors. theta energy: -131.255 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: 9 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1412.545203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.545203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.545203 (E_RNA) where: Base-Base interactions energy: -919.538 where: short stacking energy: -419.644 Base-Backbone interact. energy: -2.239 local terms energy: -490.767590 where: bonds (distance) C4'-P energy: -97.931 bonds (distance) P-C4' energy: -91.779 flat angles C4'-P-C4' energy: -105.766 flat angles P-C4'-P energy: -70.078 tors. eta vs tors. theta energy: -125.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1287.882448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.882448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.882448 (E_RNA) where: Base-Base interactions energy: -865.878 where: short stacking energy: -392.060 Base-Backbone interact. energy: -3.232 local terms energy: -418.772766 where: bonds (distance) C4'-P energy: -76.623 bonds (distance) P-C4' energy: -94.017 flat angles C4'-P-C4' energy: -84.627 flat angles P-C4'-P energy: -55.958 tors. eta vs tors. theta energy: -107.549 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: 3 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -1191.053696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.053696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.053696 (E_RNA) where: Base-Base interactions energy: -765.740 where: short stacking energy: -355.915 Base-Backbone interact. energy: -0.185 local terms energy: -425.129193 where: bonds (distance) C4'-P energy: -85.607 bonds (distance) P-C4' energy: -79.997 flat angles C4'-P-C4' energy: -97.766 flat angles P-C4'-P energy: -66.115 tors. eta vs tors. theta energy: -95.645 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: 7 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -1078.013083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.013083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.013083 (E_RNA) where: Base-Base interactions energy: -661.471 where: short stacking energy: -338.454 Base-Backbone interact. energy: 0.458 local terms energy: -417.000649 where: bonds (distance) C4'-P energy: -82.370 bonds (distance) P-C4' energy: -108.541 flat angles C4'-P-C4' energy: -98.266 flat angles P-C4'-P energy: -51.564 tors. eta vs tors. theta energy: -76.259 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: 10 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -943.136025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.136025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.136025 (E_RNA) where: Base-Base interactions energy: -569.376 where: short stacking energy: -288.815 Base-Backbone interact. energy: -2.911 local terms energy: -370.848531 where: bonds (distance) C4'-P energy: -73.987 bonds (distance) P-C4' energy: -83.868 flat angles C4'-P-C4' energy: -81.165 flat angles P-C4'-P energy: -64.045 tors. eta vs tors. theta energy: -67.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -795.780153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.780153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.780153 (E_RNA) where: Base-Base interactions energy: -453.119 where: short stacking energy: -218.161 Base-Backbone interact. energy: 1.462 local terms energy: -344.122661 where: bonds (distance) C4'-P energy: -85.192 bonds (distance) P-C4' energy: -85.546 flat angles C4'-P-C4' energy: -78.947 flat angles P-C4'-P energy: -45.430 tors. eta vs tors. theta energy: -49.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -616.671512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.671512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.671512 (E_RNA) where: Base-Base interactions energy: -321.141 where: short stacking energy: -192.241 Base-Backbone interact. energy: -2.202 local terms energy: -293.328889 where: bonds (distance) C4'-P energy: -86.874 bonds (distance) P-C4' energy: -86.328 flat angles C4'-P-C4' energy: -65.328 flat angles P-C4'-P energy: -38.693 tors. eta vs tors. theta energy: -16.106 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: 9, replica: 8 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -542.320904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.320904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.320904 (E_RNA) where: Base-Base interactions energy: -261.811 where: short stacking energy: -160.041 Base-Backbone interact. energy: 0.785 local terms energy: -281.294782 where: bonds (distance) C4'-P energy: -65.484 bonds (distance) P-C4' energy: -79.921 flat angles C4'-P-C4' energy: -77.571 flat angles P-C4'-P energy: -50.819 tors. eta vs tors. theta energy: -7.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -488.644690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.644690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.644690 (E_RNA) where: Base-Base interactions energy: -221.052 where: short stacking energy: -114.480 Base-Backbone interact. energy: 2.224 local terms energy: -269.816115 where: bonds (distance) C4'-P energy: -88.192 bonds (distance) P-C4' energy: -71.618 flat angles C4'-P-C4' energy: -70.983 flat angles P-C4'-P energy: -46.849 tors. eta vs tors. theta energy: 7.826 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: 5 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1524.819113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.819113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.819113 (E_RNA) where: Base-Base interactions energy: -1018.888 where: short stacking energy: -467.243 Base-Backbone interact. energy: -1.321 local terms energy: -504.609546 where: bonds (distance) C4'-P energy: -100.655 bonds (distance) P-C4' energy: -86.160 flat angles C4'-P-C4' energy: -112.375 flat angles P-C4'-P energy: -65.926 tors. eta vs tors. theta energy: -139.493 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: 250 Temperature: 0.950000 Total energy: -1435.875466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.875466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.875466 (E_RNA) where: Base-Base interactions energy: -964.699 where: short stacking energy: -452.501 Base-Backbone interact. energy: -1.421 local terms energy: -469.754797 where: bonds (distance) C4'-P energy: -93.445 bonds (distance) P-C4' energy: -99.189 flat angles C4'-P-C4' energy: -94.979 flat angles P-C4'-P energy: -64.710 tors. eta vs tors. theta energy: -117.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1305.591961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.591961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.591961 (E_RNA) where: Base-Base interactions energy: -863.404 where: short stacking energy: -411.954 Base-Backbone interact. energy: -1.609 local terms energy: -440.579685 where: bonds (distance) C4'-P energy: -90.378 bonds (distance) P-C4' energy: -93.195 flat angles C4'-P-C4' energy: -90.621 flat angles P-C4'-P energy: -59.400 tors. eta vs tors. theta energy: -106.985 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: 3 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1164.999526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.999526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.999526 (E_RNA) where: Base-Base interactions energy: -730.989 where: short stacking energy: -357.772 Base-Backbone interact. energy: -1.393 local terms energy: -432.618063 where: bonds (distance) C4'-P energy: -82.633 bonds (distance) P-C4' energy: -86.372 flat angles C4'-P-C4' energy: -104.425 flat angles P-C4'-P energy: -73.038 tors. eta vs tors. theta energy: -86.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -1046.265814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.265814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.265814 (E_RNA) where: Base-Base interactions energy: -645.895 where: short stacking energy: -297.150 Base-Backbone interact. energy: -2.827 local terms energy: -397.544128 where: bonds (distance) C4'-P energy: -82.829 bonds (distance) P-C4' energy: -100.515 flat angles C4'-P-C4' energy: -88.652 flat angles P-C4'-P energy: -60.373 tors. eta vs tors. theta energy: -65.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -973.646964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.646964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.646964 (E_RNA) where: Base-Base interactions energy: -614.358 where: short stacking energy: -273.879 Base-Backbone interact. energy: -2.019 local terms energy: -357.270318 where: bonds (distance) C4'-P energy: -83.908 bonds (distance) P-C4' energy: -63.722 flat angles C4'-P-C4' energy: -90.399 flat angles P-C4'-P energy: -63.126 tors. eta vs tors. theta energy: -56.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -828.154968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.154968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.154968 (E_RNA) where: Base-Base interactions energy: -479.305 where: short stacking energy: -259.765 Base-Backbone interact. energy: -1.684 local terms energy: -347.165993 where: bonds (distance) C4'-P energy: -78.086 bonds (distance) P-C4' energy: -87.588 flat angles C4'-P-C4' energy: -84.077 flat angles P-C4'-P energy: -48.159 tors. eta vs tors. theta energy: -49.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -578.980459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.980459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.980459 (E_RNA) where: Base-Base interactions energy: -271.398 where: short stacking energy: -163.168 Base-Backbone interact. energy: 1.457 local terms energy: -309.039534 where: bonds (distance) C4'-P energy: -86.279 bonds (distance) P-C4' energy: -89.922 flat angles C4'-P-C4' energy: -78.222 flat angles P-C4'-P energy: -37.573 tors. eta vs tors. theta energy: -17.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -508.754147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.754147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.754147 (E_RNA) where: Base-Base interactions energy: -265.455 where: short stacking energy: -153.069 Base-Backbone interact. energy: 0.485 local terms energy: -243.784208 where: bonds (distance) C4'-P energy: -77.820 bonds (distance) P-C4' energy: -86.440 flat angles C4'-P-C4' energy: -49.545 flat angles P-C4'-P energy: -39.483 tors. eta vs tors. theta energy: 9.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -476.141459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.141459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.141459 (E_RNA) where: Base-Base interactions energy: -237.788 where: short stacking energy: -126.183 Base-Backbone interact. energy: 0.093 local terms energy: -238.446952 where: bonds (distance) C4'-P energy: -57.265 bonds (distance) P-C4' energy: -86.967 flat angles C4'-P-C4' energy: -63.727 flat angles P-C4'-P energy: -50.107 tors. eta vs tors. theta energy: 19.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1497.939533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.939533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.939533 (E_RNA) where: Base-Base interactions energy: -1011.339 where: short stacking energy: -436.776 Base-Backbone interact. energy: -0.841 local terms energy: -485.759919 where: bonds (distance) C4'-P energy: -100.954 bonds (distance) P-C4' energy: -95.365 flat angles C4'-P-C4' energy: -101.428 flat angles P-C4'-P energy: -64.877 tors. eta vs tors. theta energy: -123.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1410.626319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.626319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.626319 (E_RNA) where: Base-Base interactions energy: -934.763 where: short stacking energy: -422.888 Base-Backbone interact. energy: -2.988 local terms energy: -472.875492 where: bonds (distance) C4'-P energy: -86.555 bonds (distance) P-C4' energy: -99.166 flat angles C4'-P-C4' energy: -93.401 flat angles P-C4'-P energy: -69.425 tors. eta vs tors. theta energy: -124.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1327.631223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.631223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.631223 (E_RNA) where: Base-Base interactions energy: -887.217 where: short stacking energy: -407.582 Base-Backbone interact. energy: -1.257 local terms energy: -439.157518 where: bonds (distance) C4'-P energy: -79.409 bonds (distance) P-C4' energy: -92.658 flat angles C4'-P-C4' energy: -96.321 flat angles P-C4'-P energy: -61.601 tors. eta vs tors. theta energy: -109.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1154.084606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.084606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.084606 (E_RNA) where: Base-Base interactions energy: -708.588 where: short stacking energy: -320.761 Base-Backbone interact. energy: -3.729 local terms energy: -441.767073 where: bonds (distance) C4'-P energy: -97.854 bonds (distance) P-C4' energy: -99.149 flat angles C4'-P-C4' energy: -90.843 flat angles P-C4'-P energy: -68.908 tors. eta vs tors. theta energy: -85.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1083.281124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.281124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.281124 (E_RNA) where: Base-Base interactions energy: -692.297 where: short stacking energy: -331.629 Base-Backbone interact. energy: 0.161 local terms energy: -391.145063 where: bonds (distance) C4'-P energy: -83.808 bonds (distance) P-C4' energy: -84.859 flat angles C4'-P-C4' energy: -90.228 flat angles P-C4'-P energy: -59.735 tors. eta vs tors. theta energy: -72.515 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: 10 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -943.634864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.634864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.634864 (E_RNA) where: Base-Base interactions energy: -588.040 where: short stacking energy: -271.576 Base-Backbone interact. energy: -0.434 local terms energy: -355.160219 where: bonds (distance) C4'-P energy: -76.545 bonds (distance) P-C4' energy: -88.380 flat angles C4'-P-C4' energy: -80.284 flat angles P-C4'-P energy: -60.141 tors. eta vs tors. theta energy: -49.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -844.847625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.847625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.847625 (E_RNA) where: Base-Base interactions energy: -486.208 where: short stacking energy: -239.657 Base-Backbone interact. energy: -0.361 local terms energy: -358.278529 where: bonds (distance) C4'-P energy: -92.053 bonds (distance) P-C4' energy: -81.375 flat angles C4'-P-C4' energy: -88.140 flat angles P-C4'-P energy: -46.222 tors. eta vs tors. theta energy: -50.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -593.111201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.111201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.111201 (E_RNA) where: Base-Base interactions energy: -302.086 where: short stacking energy: -182.951 Base-Backbone interact. energy: -1.525 local terms energy: -289.500874 where: bonds (distance) C4'-P energy: -92.530 bonds (distance) P-C4' energy: -78.518 flat angles C4'-P-C4' energy: -60.676 flat angles P-C4'-P energy: -39.937 tors. eta vs tors. theta energy: -17.841 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: 8 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -505.528449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.528449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.528449 (E_RNA) where: Base-Base interactions energy: -238.373 where: short stacking energy: -143.192 Base-Backbone interact. energy: 2.417 local terms energy: -269.572302 where: bonds (distance) C4'-P energy: -78.444 bonds (distance) P-C4' energy: -90.098 flat angles C4'-P-C4' energy: -65.711 flat angles P-C4'-P energy: -32.650 tors. eta vs tors. theta energy: -2.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -497.522019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.522019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.522019 (E_RNA) where: Base-Base interactions energy: -231.394 where: short stacking energy: -142.385 Base-Backbone interact. energy: 0.772 local terms energy: -266.899988 where: bonds (distance) C4'-P energy: -68.697 bonds (distance) P-C4' energy: -81.372 flat angles C4'-P-C4' energy: -67.823 flat angles P-C4'-P energy: -46.675 tors. eta vs tors. theta energy: -2.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1497.539365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.539365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.539365 (E_RNA) where: Base-Base interactions energy: -1010.924 where: short stacking energy: -452.364 Base-Backbone interact. energy: -2.135 local terms energy: -484.480318 where: bonds (distance) C4'-P energy: -91.530 bonds (distance) P-C4' energy: -99.308 flat angles C4'-P-C4' energy: -86.475 flat angles P-C4'-P energy: -78.315 tors. eta vs tors. theta energy: -128.853 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: 9 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1443.919294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.919294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.919294 (E_RNA) where: Base-Base interactions energy: -973.027 where: short stacking energy: -431.419 Base-Backbone interact. energy: -2.410 local terms energy: -468.482372 where: bonds (distance) C4'-P energy: -90.288 bonds (distance) P-C4' energy: -95.222 flat angles C4'-P-C4' energy: -102.826 flat angles P-C4'-P energy: -67.355 tors. eta vs tors. theta energy: -112.792 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: 3, replica: 2 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1348.348567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.348567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.348567 (E_RNA) where: Base-Base interactions energy: -890.065 where: short stacking energy: -405.864 Base-Backbone interact. energy: 0.581 local terms energy: -458.864786 where: bonds (distance) C4'-P energy: -90.984 bonds (distance) P-C4' energy: -89.993 flat angles C4'-P-C4' energy: -103.064 flat angles P-C4'-P energy: -58.338 tors. eta vs tors. theta energy: -116.485 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: 252 Temperature: 1.050000 Total energy: -1136.584130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.584130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.584130 (E_RNA) where: Base-Base interactions energy: -712.954 where: short stacking energy: -330.551 Base-Backbone interact. energy: 3.254 local terms energy: -426.884098 where: bonds (distance) C4'-P energy: -89.129 bonds (distance) P-C4' energy: -99.542 flat angles C4'-P-C4' energy: -100.781 flat angles P-C4'-P energy: -63.716 tors. eta vs tors. theta energy: -73.715 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: 7 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -1076.616212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.616212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.616212 (E_RNA) where: Base-Base interactions energy: -691.818 where: short stacking energy: -325.013 Base-Backbone interact. energy: 0.681 local terms energy: -385.479289 where: bonds (distance) C4'-P energy: -81.167 bonds (distance) P-C4' energy: -82.936 flat angles C4'-P-C4' energy: -90.150 flat angles P-C4'-P energy: -63.325 tors. eta vs tors. theta energy: -67.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -958.011928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.011928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.011928 (E_RNA) where: Base-Base interactions energy: -578.503 where: short stacking energy: -274.314 Base-Backbone interact. energy: -3.460 local terms energy: -376.048370 where: bonds (distance) C4'-P energy: -93.271 bonds (distance) P-C4' energy: -80.658 flat angles C4'-P-C4' energy: -85.847 flat angles P-C4'-P energy: -49.032 tors. eta vs tors. theta energy: -67.240 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: 6 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -819.780904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.780904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.780904 (E_RNA) where: Base-Base interactions energy: -486.836 where: short stacking energy: -259.542 Base-Backbone interact. energy: 1.384 local terms energy: -334.328644 where: bonds (distance) C4'-P energy: -75.917 bonds (distance) P-C4' energy: -92.655 flat angles C4'-P-C4' energy: -74.286 flat angles P-C4'-P energy: -58.046 tors. eta vs tors. theta energy: -33.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -609.727153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.727153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.727153 (E_RNA) where: Base-Base interactions energy: -311.067 where: short stacking energy: -182.240 Base-Backbone interact. energy: -2.479 local terms energy: -296.181831 where: bonds (distance) C4'-P energy: -79.221 bonds (distance) P-C4' energy: -90.837 flat angles C4'-P-C4' energy: -78.655 flat angles P-C4'-P energy: -35.355 tors. eta vs tors. theta energy: -12.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -497.098306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.098306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.098306 (E_RNA) where: Base-Base interactions energy: -216.749 where: short stacking energy: -127.749 Base-Backbone interact. energy: 2.896 local terms energy: -283.244967 where: bonds (distance) C4'-P energy: -75.087 bonds (distance) P-C4' energy: -83.058 flat angles C4'-P-C4' energy: -78.931 flat angles P-C4'-P energy: -47.153 tors. eta vs tors. theta energy: 0.985 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: 4 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -457.831579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.831579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.831579 (E_RNA) where: Base-Base interactions energy: -194.798 where: short stacking energy: -108.059 Base-Backbone interact. energy: 1.533 local terms energy: -264.566313 where: bonds (distance) C4'-P energy: -83.657 bonds (distance) P-C4' energy: -90.297 flat angles C4'-P-C4' energy: -69.241 flat angles P-C4'-P energy: -40.526 tors. eta vs tors. theta energy: 19.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1523.192185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.192185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.192185 (E_RNA) where: Base-Base interactions energy: -1018.875 where: short stacking energy: -467.122 Base-Backbone interact. energy: -2.968 local terms energy: -501.348718 where: bonds (distance) C4'-P energy: -88.761 bonds (distance) P-C4' energy: -93.854 flat angles C4'-P-C4' energy: -110.050 flat angles P-C4'-P energy: -69.872 tors. eta vs tors. theta energy: -138.812 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: 2, replica: 9 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -1431.063593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.063593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.063593 (E_RNA) where: Base-Base interactions energy: -957.586 where: short stacking energy: -463.964 Base-Backbone interact. energy: -2.226 local terms energy: -471.252021 where: bonds (distance) C4'-P energy: -93.156 bonds (distance) P-C4' energy: -86.670 flat angles C4'-P-C4' energy: -105.926 flat angles P-C4'-P energy: -67.096 tors. eta vs tors. theta energy: -118.404 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: 253 Temperature: 1.000000 Total energy: -1301.477161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.477161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.477161 (E_RNA) where: Base-Base interactions energy: -839.844 where: short stacking energy: -360.954 Base-Backbone interact. energy: -3.189 local terms energy: -458.444894 where: bonds (distance) C4'-P energy: -90.896 bonds (distance) P-C4' energy: -95.660 flat angles C4'-P-C4' energy: -81.425 flat angles P-C4'-P energy: -77.404 tors. eta vs tors. theta energy: -113.060 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: 4, replica: 3 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1137.584882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.584882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.584882 (E_RNA) where: Base-Base interactions energy: -720.589 where: short stacking energy: -330.585 Base-Backbone interact. energy: 2.019 local terms energy: -419.014687 where: bonds (distance) C4'-P energy: -90.144 bonds (distance) P-C4' energy: -86.580 flat angles C4'-P-C4' energy: -95.172 flat angles P-C4'-P energy: -60.662 tors. eta vs tors. theta energy: -86.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -1110.934056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.934056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.934056 (E_RNA) where: Base-Base interactions energy: -704.231 where: short stacking energy: -327.950 Base-Backbone interact. energy: -1.999 local terms energy: -404.703740 where: bonds (distance) C4'-P energy: -84.058 bonds (distance) P-C4' energy: -87.391 flat angles C4'-P-C4' energy: -97.772 flat angles P-C4'-P energy: -54.938 tors. eta vs tors. theta energy: -80.544 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: 10 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -920.222306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.222306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.222306 (E_RNA) where: Base-Base interactions energy: -546.328 where: short stacking energy: -274.510 Base-Backbone interact. energy: -1.085 local terms energy: -372.809796 where: bonds (distance) C4'-P energy: -85.872 bonds (distance) P-C4' energy: -80.787 flat angles C4'-P-C4' energy: -100.171 flat angles P-C4'-P energy: -43.419 tors. eta vs tors. theta energy: -62.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -798.699429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.699429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.699429 (E_RNA) where: Base-Base interactions energy: -440.495 where: short stacking energy: -220.089 Base-Backbone interact. energy: 5.545 local terms energy: -363.749128 where: bonds (distance) C4'-P energy: -89.555 bonds (distance) P-C4' energy: -85.552 flat angles C4'-P-C4' energy: -93.135 flat angles P-C4'-P energy: -60.140 tors. eta vs tors. theta energy: -35.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -582.911741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.911741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.911741 (E_RNA) where: Base-Base interactions energy: -297.896 where: short stacking energy: -171.541 Base-Backbone interact. energy: -0.691 local terms energy: -284.325259 where: bonds (distance) C4'-P energy: -64.376 bonds (distance) P-C4' energy: -83.792 flat angles C4'-P-C4' energy: -79.128 flat angles P-C4'-P energy: -50.590 tors. eta vs tors. theta energy: -6.439 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: 9, replica: 8 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -476.777425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.777425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.777425 (E_RNA) where: Base-Base interactions energy: -222.949 where: short stacking energy: -113.115 Base-Backbone interact. energy: 0.001 local terms energy: -253.828956 where: bonds (distance) C4'-P energy: -81.337 bonds (distance) P-C4' energy: -80.998 flat angles C4'-P-C4' energy: -64.986 flat angles P-C4'-P energy: -59.020 tors. eta vs tors. theta energy: 32.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -467.652925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.652925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.652925 (E_RNA) where: Base-Base interactions energy: -225.020 where: short stacking energy: -145.472 Base-Backbone interact. energy: 3.477 local terms energy: -246.109300 where: bonds (distance) C4'-P energy: -73.793 bonds (distance) P-C4' energy: -73.641 flat angles C4'-P-C4' energy: -69.849 flat angles P-C4'-P energy: -29.326 tors. eta vs tors. theta energy: 0.499 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: 5 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1532.522410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.522410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.522410 (E_RNA) where: Base-Base interactions energy: -1015.133 where: short stacking energy: -484.169 Base-Backbone interact. energy: -2.354 local terms energy: -515.035380 where: bonds (distance) C4'-P energy: -90.318 bonds (distance) P-C4' energy: -102.606 flat angles C4'-P-C4' energy: -111.799 flat angles P-C4'-P energy: -67.081 tors. eta vs tors. theta energy: -143.231 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: 9 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -1455.416403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.416403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.416403 (E_RNA) where: Base-Base interactions energy: -956.981 where: short stacking energy: -443.011 Base-Backbone interact. energy: -3.233 local terms energy: -495.202290 where: bonds (distance) C4'-P energy: -89.160 bonds (distance) P-C4' energy: -103.925 flat angles C4'-P-C4' energy: -105.315 flat angles P-C4'-P energy: -72.876 tors. eta vs tors. theta energy: -123.926 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: 3, replica: 2 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1272.706836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.706836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.706836 (E_RNA) where: Base-Base interactions energy: -828.310 where: short stacking energy: -366.860 Base-Backbone interact. energy: -1.757 local terms energy: -442.639881 where: bonds (distance) C4'-P energy: -102.704 bonds (distance) P-C4' energy: -88.252 flat angles C4'-P-C4' energy: -90.859 flat angles P-C4'-P energy: -45.609 tors. eta vs tors. theta energy: -115.216 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: 3 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1162.241765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.241765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.241765 (E_RNA) where: Base-Base interactions energy: -733.718 where: short stacking energy: -378.332 Base-Backbone interact. energy: -0.717 local terms energy: -427.806442 where: bonds (distance) C4'-P energy: -96.783 bonds (distance) P-C4' energy: -100.451 flat angles C4'-P-C4' energy: -92.997 flat angles P-C4'-P energy: -39.668 tors. eta vs tors. theta energy: -97.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1143.857289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.857289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.857289 (E_RNA) where: Base-Base interactions energy: -725.208 where: short stacking energy: -346.414 Base-Backbone interact. energy: -1.398 local terms energy: -417.251029 where: bonds (distance) C4'-P energy: -69.524 bonds (distance) P-C4' energy: -102.810 flat angles C4'-P-C4' energy: -103.759 flat angles P-C4'-P energy: -54.045 tors. eta vs tors. theta energy: -87.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -939.989828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.989828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.989828 (E_RNA) where: Base-Base interactions energy: -538.433 where: short stacking energy: -270.651 Base-Backbone interact. energy: 0.108 local terms energy: -401.663980 where: bonds (distance) C4'-P energy: -92.237 bonds (distance) P-C4' energy: -93.659 flat angles C4'-P-C4' energy: -92.410 flat angles P-C4'-P energy: -63.440 tors. eta vs tors. theta energy: -59.918 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: 6 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -828.370747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.370747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.370747 (E_RNA) where: Base-Base interactions energy: -491.559 where: short stacking energy: -252.257 Base-Backbone interact. energy: 3.915 local terms energy: -340.726339 where: bonds (distance) C4'-P energy: -85.149 bonds (distance) P-C4' energy: -84.793 flat angles C4'-P-C4' energy: -80.449 flat angles P-C4'-P energy: -40.234 tors. eta vs tors. theta energy: -50.101 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: 1 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -588.958839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.958839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.958839 (E_RNA) where: Base-Base interactions energy: -308.192 where: short stacking energy: -189.107 Base-Backbone interact. energy: 1.907 local terms energy: -282.673451 where: bonds (distance) C4'-P energy: -89.494 bonds (distance) P-C4' energy: -70.596 flat angles C4'-P-C4' energy: -52.880 flat angles P-C4'-P energy: -36.162 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: 9, replica: 4 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -553.880245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.880245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.880245 (E_RNA) where: Base-Base interactions energy: -271.584 where: short stacking energy: -173.165 Base-Backbone interact. energy: -2.088 local terms energy: -280.207691 where: bonds (distance) C4'-P energy: -75.391 bonds (distance) P-C4' energy: -78.335 flat angles C4'-P-C4' energy: -74.707 flat angles P-C4'-P energy: -50.239 tors. eta vs tors. theta energy: -1.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -474.453677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.453677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.453677 (E_RNA) where: Base-Base interactions energy: -214.788 where: short stacking energy: -107.556 Base-Backbone interact. energy: 3.749 local terms energy: -263.414653 where: bonds (distance) C4'-P energy: -75.845 bonds (distance) P-C4' energy: -88.758 flat angles C4'-P-C4' energy: -59.657 flat angles P-C4'-P energy: -56.765 tors. eta vs tors. theta energy: 17.610 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: 1, replica: 5 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1531.631985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.631985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.631985 (E_RNA) where: Base-Base interactions energy: -1029.012 where: short stacking energy: -483.603 Base-Backbone interact. energy: -1.580 local terms energy: -501.040091 where: bonds (distance) C4'-P energy: -97.134 bonds (distance) P-C4' energy: -95.504 flat angles C4'-P-C4' energy: -112.548 flat angles P-C4'-P energy: -60.917 tors. eta vs tors. theta energy: -134.937 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: 255 Temperature: 0.950000 Total energy: -1452.686261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.686261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.686261 (E_RNA) where: Base-Base interactions energy: -983.863 where: short stacking energy: -451.335 Base-Backbone interact. energy: 0.428 local terms energy: -469.250517 where: bonds (distance) C4'-P energy: -88.451 bonds (distance) P-C4' energy: -83.330 flat angles C4'-P-C4' energy: -112.513 flat angles P-C4'-P energy: -52.376 tors. eta vs tors. theta energy: -132.581 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: 2 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1301.195926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.195926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.195926 (E_RNA) where: Base-Base interactions energy: -855.849 where: short stacking energy: -387.555 Base-Backbone interact. energy: -1.624 local terms energy: -443.722473 where: bonds (distance) C4'-P energy: -89.177 bonds (distance) P-C4' energy: -92.764 flat angles C4'-P-C4' energy: -97.805 flat angles P-C4'-P energy: -52.768 tors. eta vs tors. theta energy: -111.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1156.423273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.423273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.423273 (E_RNA) where: Base-Base interactions energy: -734.684 where: short stacking energy: -347.912 Base-Backbone interact. energy: 7.480 local terms energy: -429.219941 where: bonds (distance) C4'-P energy: -101.844 bonds (distance) P-C4' energy: -94.182 flat angles C4'-P-C4' energy: -82.795 flat angles P-C4'-P energy: -62.171 tors. eta vs tors. theta energy: -88.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -1130.283956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.283956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.283956 (E_RNA) where: Base-Base interactions energy: -718.134 where: short stacking energy: -346.024 Base-Backbone interact. energy: 1.866 local terms energy: -414.015849 where: bonds (distance) C4'-P energy: -76.842 bonds (distance) P-C4' energy: -85.874 flat angles C4'-P-C4' energy: -96.288 flat angles P-C4'-P energy: -52.350 tors. eta vs tors. theta energy: -102.662 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: 255 Temperature: 1.150000 Total energy: -963.313045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.313045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.313045 (E_RNA) where: Base-Base interactions energy: -591.948 where: short stacking energy: -276.173 Base-Backbone interact. energy: 0.801 local terms energy: -372.165735 where: bonds (distance) C4'-P energy: -75.767 bonds (distance) P-C4' energy: -91.908 flat angles C4'-P-C4' energy: -91.488 flat angles P-C4'-P energy: -51.870 tors. eta vs tors. theta energy: -61.132 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: 6 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -810.534553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.534553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.534553 (E_RNA) where: Base-Base interactions energy: -449.603 where: short stacking energy: -238.060 Base-Backbone interact. energy: 1.898 local terms energy: -362.829747 where: bonds (distance) C4'-P energy: -88.558 bonds (distance) P-C4' energy: -87.758 flat angles C4'-P-C4' energy: -82.347 flat angles P-C4'-P energy: -60.483 tors. eta vs tors. theta energy: -43.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -573.879365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.879365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.879365 (E_RNA) where: Base-Base interactions energy: -258.361 where: short stacking energy: -158.986 Base-Backbone interact. energy: -0.724 local terms energy: -314.794898 where: bonds (distance) C4'-P energy: -81.843 bonds (distance) P-C4' energy: -87.454 flat angles C4'-P-C4' energy: -77.557 flat angles P-C4'-P energy: -45.295 tors. eta vs tors. theta energy: -22.645 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: 9, replica: 4 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -504.898049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.898049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.898049 (E_RNA) where: Base-Base interactions energy: -249.721 where: short stacking energy: -163.274 Base-Backbone interact. energy: -1.747 local terms energy: -253.430269 where: bonds (distance) C4'-P energy: -85.696 bonds (distance) P-C4' energy: -89.777 flat angles C4'-P-C4' energy: -65.386 flat angles P-C4'-P energy: -25.183 tors. eta vs tors. theta energy: 12.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -522.864526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.864526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.864526 (E_RNA) where: Base-Base interactions energy: -231.044 where: short stacking energy: -148.090 Base-Backbone interact. energy: -0.833 local terms energy: -290.987969 where: bonds (distance) C4'-P energy: -75.797 bonds (distance) P-C4' energy: -89.792 flat angles C4'-P-C4' energy: -68.559 flat angles P-C4'-P energy: -42.423 tors. eta vs tors. theta energy: -14.416 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: 5 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1539.456690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.456690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.456690 (E_RNA) where: Base-Base interactions energy: -1032.422 where: short stacking energy: -450.053 Base-Backbone interact. energy: -0.857 local terms energy: -506.178494 where: bonds (distance) C4'-P energy: -92.263 bonds (distance) P-C4' energy: -89.380 flat angles C4'-P-C4' energy: -118.642 flat angles P-C4'-P energy: -79.273 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: 2, replica: 9 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1444.485672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.485672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.485672 (E_RNA) where: Base-Base interactions energy: -968.909 where: short stacking energy: -438.620 Base-Backbone interact. energy: -1.028 local terms energy: -474.549553 where: bonds (distance) C4'-P energy: -91.727 bonds (distance) P-C4' energy: -99.385 flat angles C4'-P-C4' energy: -100.818 flat angles P-C4'-P energy: -62.421 tors. eta vs tors. theta energy: -120.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1289.326840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.326840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.326840 (E_RNA) where: Base-Base interactions energy: -843.929 where: short stacking energy: -363.061 Base-Backbone interact. energy: -2.004 local terms energy: -443.394115 where: bonds (distance) C4'-P energy: -88.992 bonds (distance) P-C4' energy: -91.321 flat angles C4'-P-C4' energy: -100.370 flat angles P-C4'-P energy: -59.440 tors. eta vs tors. theta energy: -103.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1172.809172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.809172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.809172 (E_RNA) where: Base-Base interactions energy: -746.616 where: short stacking energy: -380.215 Base-Backbone interact. energy: 0.223 local terms energy: -426.416635 where: bonds (distance) C4'-P energy: -91.504 bonds (distance) P-C4' energy: -85.857 flat angles C4'-P-C4' energy: -92.210 flat angles P-C4'-P energy: -58.779 tors. eta vs tors. theta energy: -98.066 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: 7 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -1112.149480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.149480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.149480 (E_RNA) where: Base-Base interactions energy: -717.512 where: short stacking energy: -322.334 Base-Backbone interact. energy: 1.174 local terms energy: -395.810754 where: bonds (distance) C4'-P energy: -74.469 bonds (distance) P-C4' energy: -88.585 flat angles C4'-P-C4' energy: -96.469 flat angles P-C4'-P energy: -56.287 tors. eta vs tors. theta energy: -80.001 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: 256 Temperature: 1.150000 Total energy: -985.300123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.300123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.300123 (E_RNA) where: Base-Base interactions energy: -601.234 where: short stacking energy: -316.471 Base-Backbone interact. energy: -1.364 local terms energy: -382.702181 where: bonds (distance) C4'-P energy: -94.270 bonds (distance) P-C4' energy: -83.642 flat angles C4'-P-C4' energy: -94.425 flat angles P-C4'-P energy: -37.375 tors. eta vs tors. theta energy: -72.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -764.691494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.691494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.691494 (E_RNA) where: Base-Base interactions energy: -408.902 where: short stacking energy: -207.669 Base-Backbone interact. energy: -1.435 local terms energy: -354.354175 where: bonds (distance) C4'-P energy: -80.782 bonds (distance) P-C4' energy: -94.733 flat angles C4'-P-C4' energy: -84.855 flat angles P-C4'-P energy: -53.930 tors. eta vs tors. theta energy: -40.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -583.530498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.530498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.530498 (E_RNA) where: Base-Base interactions energy: -287.289 where: short stacking energy: -171.961 Base-Backbone interact. energy: -2.140 local terms energy: -294.101618 where: bonds (distance) C4'-P energy: -78.524 bonds (distance) P-C4' energy: -81.702 flat angles C4'-P-C4' energy: -77.034 flat angles P-C4'-P energy: -45.237 tors. eta vs tors. theta energy: -11.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -533.717322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.717322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.717322 (E_RNA) where: Base-Base interactions energy: -254.245 where: short stacking energy: -146.008 Base-Backbone interact. energy: -2.220 local terms energy: -277.252331 where: bonds (distance) C4'-P energy: -76.001 bonds (distance) P-C4' energy: -84.104 flat angles C4'-P-C4' energy: -71.434 flat angles P-C4'-P energy: -45.834 tors. eta vs tors. theta energy: 0.122 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: 8 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -500.841218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.841218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.841218 (E_RNA) where: Base-Base interactions energy: -217.264 where: short stacking energy: -134.623 Base-Backbone interact. energy: -2.089 local terms energy: -281.488306 where: bonds (distance) C4'-P energy: -82.841 bonds (distance) P-C4' energy: -79.783 flat angles C4'-P-C4' energy: -58.340 flat angles P-C4'-P energy: -52.857 tors. eta vs tors. theta energy: -7.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1527.209502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.209502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.209502 (E_RNA) where: Base-Base interactions energy: -1029.834 where: short stacking energy: -459.150 Base-Backbone interact. energy: -0.015 local terms energy: -497.360514 where: bonds (distance) C4'-P energy: -80.925 bonds (distance) P-C4' energy: -104.469 flat angles C4'-P-C4' energy: -103.595 flat angles P-C4'-P energy: -75.392 tors. eta vs tors. theta energy: -132.980 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: 2, replica: 9 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1479.261742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.261742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.261742 (E_RNA) where: Base-Base interactions energy: -987.282 where: short stacking energy: -459.653 Base-Backbone interact. energy: -0.577 local terms energy: -491.402380 where: bonds (distance) C4'-P energy: -93.972 bonds (distance) P-C4' energy: -97.723 flat angles C4'-P-C4' energy: -102.665 flat angles P-C4'-P energy: -79.199 tors. eta vs tors. theta energy: -117.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1291.955136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.955136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.955136 (E_RNA) where: Base-Base interactions energy: -834.200 where: short stacking energy: -366.841 Base-Backbone interact. energy: 2.127 local terms energy: -459.881772 where: bonds (distance) C4'-P energy: -91.472 bonds (distance) P-C4' energy: -95.250 flat angles C4'-P-C4' energy: -94.616 flat angles P-C4'-P energy: -58.400 tors. eta vs tors. theta energy: -120.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1187.855460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.855460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.855460 (E_RNA) where: Base-Base interactions energy: -743.485 where: short stacking energy: -349.215 Base-Backbone interact. energy: -1.352 local terms energy: -443.019286 where: bonds (distance) C4'-P energy: -92.913 bonds (distance) P-C4' energy: -102.135 flat angles C4'-P-C4' energy: -98.831 flat angles P-C4'-P energy: -64.406 tors. eta vs tors. theta energy: -84.733 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: 3 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -1058.484634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.484634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.484634 (E_RNA) where: Base-Base interactions energy: -646.768 where: short stacking energy: -308.541 Base-Backbone interact. energy: 1.076 local terms energy: -412.793337 where: bonds (distance) C4'-P energy: -90.827 bonds (distance) P-C4' energy: -99.392 flat angles C4'-P-C4' energy: -79.145 flat angles P-C4'-P energy: -61.477 tors. eta vs tors. theta energy: -81.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -919.423642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.423642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.423642 (E_RNA) where: Base-Base interactions energy: -560.530 where: short stacking energy: -241.961 Base-Backbone interact. energy: -1.379 local terms energy: -357.514263 where: bonds (distance) C4'-P energy: -78.314 bonds (distance) P-C4' energy: -87.592 flat angles C4'-P-C4' energy: -97.100 flat angles P-C4'-P energy: -45.133 tors. eta vs tors. theta energy: -49.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -755.987119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.987119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.987119 (E_RNA) where: Base-Base interactions energy: -419.439 where: short stacking energy: -214.182 Base-Backbone interact. energy: -2.055 local terms energy: -334.493026 where: bonds (distance) C4'-P energy: -81.994 bonds (distance) P-C4' energy: -91.921 flat angles C4'-P-C4' energy: -77.831 flat angles P-C4'-P energy: -48.159 tors. eta vs tors. theta energy: -34.587 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: 1 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -591.603159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.603159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.603159 (E_RNA) where: Base-Base interactions energy: -301.062 where: short stacking energy: -198.068 Base-Backbone interact. energy: 2.058 local terms energy: -292.598992 where: bonds (distance) C4'-P energy: -68.520 bonds (distance) P-C4' energy: -97.182 flat angles C4'-P-C4' energy: -67.889 flat angles P-C4'-P energy: -51.096 tors. eta vs tors. theta energy: -7.913 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: 4 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -572.374611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.374611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.374611 (E_RNA) where: Base-Base interactions energy: -293.734 where: short stacking energy: -153.751 Base-Backbone interact. energy: -0.813 local terms energy: -277.827717 where: bonds (distance) C4'-P energy: -86.499 bonds (distance) P-C4' energy: -79.284 flat angles C4'-P-C4' energy: -70.650 flat angles P-C4'-P energy: -42.923 tors. eta vs tors. theta energy: 1.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -490.344545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.344545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.344545 (E_RNA) where: Base-Base interactions energy: -217.546 where: short stacking energy: -139.366 Base-Backbone interact. energy: -0.919 local terms energy: -271.879618 where: bonds (distance) C4'-P energy: -73.305 bonds (distance) P-C4' energy: -74.170 flat angles C4'-P-C4' energy: -71.600 flat angles P-C4'-P energy: -44.452 tors. eta vs tors. theta energy: -8.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1551.697682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.697682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.697682 (E_RNA) where: Base-Base interactions energy: -1037.446 where: short stacking energy: -460.460 Base-Backbone interact. energy: 0.230 local terms energy: -514.482165 where: bonds (distance) C4'-P energy: -99.606 bonds (distance) P-C4' energy: -98.188 flat angles C4'-P-C4' energy: -106.433 flat angles P-C4'-P energy: -81.229 tors. eta vs tors. theta energy: -129.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1447.993138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.993138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.993138 (E_RNA) where: Base-Base interactions energy: -959.505 where: short stacking energy: -429.365 Base-Backbone interact. energy: -1.675 local terms energy: -486.813172 where: bonds (distance) C4'-P energy: -86.956 bonds (distance) P-C4' energy: -96.840 flat angles C4'-P-C4' energy: -102.539 flat angles P-C4'-P energy: -70.897 tors. eta vs tors. theta energy: -129.581 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: 2 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1313.636442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.636442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.636442 (E_RNA) where: Base-Base interactions energy: -861.058 where: short stacking energy: -354.889 Base-Backbone interact. energy: -5.266 local terms energy: -447.312480 where: bonds (distance) C4'-P energy: -82.050 bonds (distance) P-C4' energy: -91.836 flat angles C4'-P-C4' energy: -101.840 flat angles P-C4'-P energy: -65.840 tors. eta vs tors. theta energy: -105.746 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: 7 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1222.398291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.398291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.398291 (E_RNA) where: Base-Base interactions energy: -780.802 where: short stacking energy: -368.027 Base-Backbone interact. energy: -0.474 local terms energy: -441.122684 where: bonds (distance) C4'-P energy: -91.946 bonds (distance) P-C4' energy: -93.093 flat angles C4'-P-C4' energy: -100.375 flat angles P-C4'-P energy: -60.156 tors. eta vs tors. theta energy: -95.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1078.482964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.482964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.482964 (E_RNA) where: Base-Base interactions energy: -675.868 where: short stacking energy: -341.401 Base-Backbone interact. energy: -1.650 local terms energy: -400.965213 where: bonds (distance) C4'-P energy: -84.217 bonds (distance) P-C4' energy: -86.980 flat angles C4'-P-C4' energy: -90.612 flat angles P-C4'-P energy: -57.492 tors. eta vs tors. theta energy: -81.664 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: 10 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -939.055004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.055004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.055004 (E_RNA) where: Base-Base interactions energy: -544.991 where: short stacking energy: -266.328 Base-Backbone interact. energy: -1.717 local terms energy: -392.347677 where: bonds (distance) C4'-P energy: -86.619 bonds (distance) P-C4' energy: -87.807 flat angles C4'-P-C4' energy: -97.795 flat angles P-C4'-P energy: -63.344 tors. eta vs tors. theta energy: -56.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -744.226945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.226945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.226945 (E_RNA) where: Base-Base interactions energy: -422.754 where: short stacking energy: -210.890 Base-Backbone interact. energy: 3.020 local terms energy: -324.493310 where: bonds (distance) C4'-P energy: -75.831 bonds (distance) P-C4' energy: -93.414 flat angles C4'-P-C4' energy: -66.384 flat angles P-C4'-P energy: -61.662 tors. eta vs tors. theta energy: -27.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -588.184260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.184260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.184260 (E_RNA) where: Base-Base interactions energy: -291.483 where: short stacking energy: -170.060 Base-Backbone interact. energy: 0.597 local terms energy: -297.298161 where: bonds (distance) C4'-P energy: -74.785 bonds (distance) P-C4' energy: -74.946 flat angles C4'-P-C4' energy: -76.575 flat angles P-C4'-P energy: -52.025 tors. eta vs tors. theta energy: -18.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -537.779538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.779538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.779538 (E_RNA) where: Base-Base interactions energy: -278.341 where: short stacking energy: -174.768 Base-Backbone interact. energy: 6.864 local terms energy: -266.303139 where: bonds (distance) C4'-P energy: -69.308 bonds (distance) P-C4' energy: -75.251 flat angles C4'-P-C4' energy: -83.714 flat angles P-C4'-P energy: -32.145 tors. eta vs tors. theta energy: -5.885 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: 8 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -485.959408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.959408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.959408 (E_RNA) where: Base-Base interactions energy: -242.677 where: short stacking energy: -146.588 Base-Backbone interact. energy: 4.450 local terms energy: -247.732551 where: bonds (distance) C4'-P energy: -84.386 bonds (distance) P-C4' energy: -75.911 flat angles C4'-P-C4' energy: -60.292 flat angles P-C4'-P energy: -39.330 tors. eta vs tors. theta energy: 12.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1551.926938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.926938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.926938 (E_RNA) where: Base-Base interactions energy: -1036.394 where: short stacking energy: -473.639 Base-Backbone interact. energy: -1.398 local terms energy: -514.134362 where: bonds (distance) C4'-P energy: -95.875 bonds (distance) P-C4' energy: -108.035 flat angles C4'-P-C4' energy: -108.406 flat angles P-C4'-P energy: -60.707 tors. eta vs tors. theta energy: -141.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1425.607321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.607321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.607321 (E_RNA) where: Base-Base interactions energy: -933.581 where: short stacking energy: -412.715 Base-Backbone interact. energy: -1.363 local terms energy: -490.663488 where: bonds (distance) C4'-P energy: -104.235 bonds (distance) P-C4' energy: -97.060 flat angles C4'-P-C4' energy: -102.917 flat angles P-C4'-P energy: -69.453 tors. eta vs tors. theta energy: -116.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1332.481623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.481623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.481623 (E_RNA) where: Base-Base interactions energy: -899.144 where: short stacking energy: -402.817 Base-Backbone interact. energy: -0.630 local terms energy: -432.708374 where: bonds (distance) C4'-P energy: -80.345 bonds (distance) P-C4' energy: -86.784 flat angles C4'-P-C4' energy: -94.957 flat angles P-C4'-P energy: -60.363 tors. eta vs tors. theta energy: -110.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1178.669017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.669017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.669017 (E_RNA) where: Base-Base interactions energy: -744.584 where: short stacking energy: -359.425 Base-Backbone interact. energy: 0.732 local terms energy: -434.817647 where: bonds (distance) C4'-P energy: -78.437 bonds (distance) P-C4' energy: -97.762 flat angles C4'-P-C4' energy: -105.243 flat angles P-C4'-P energy: -61.045 tors. eta vs tors. theta energy: -92.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1103.241382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.241382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.241382 (E_RNA) where: Base-Base interactions energy: -714.963 where: short stacking energy: -332.740 Base-Backbone interact. energy: -0.951 local terms energy: -387.328072 where: bonds (distance) C4'-P energy: -92.380 bonds (distance) P-C4' energy: -94.026 flat angles C4'-P-C4' energy: -80.815 flat angles P-C4'-P energy: -44.545 tors. eta vs tors. theta energy: -75.562 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: 10 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -934.880054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.880054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.880054 (E_RNA) where: Base-Base interactions energy: -589.352 where: short stacking energy: -259.399 Base-Backbone interact. energy: 5.330 local terms energy: -350.857742 where: bonds (distance) C4'-P energy: -82.861 bonds (distance) P-C4' energy: -85.435 flat angles C4'-P-C4' energy: -81.694 flat angles P-C4'-P energy: -59.888 tors. eta vs tors. theta energy: -40.980 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: 7, replica: 6 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -778.614300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.614300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.614300 (E_RNA) where: Base-Base interactions energy: -433.162 where: short stacking energy: -222.137 Base-Backbone interact. energy: -0.982 local terms energy: -344.469617 where: bonds (distance) C4'-P energy: -78.108 bonds (distance) P-C4' energy: -87.275 flat angles C4'-P-C4' energy: -95.096 flat angles P-C4'-P energy: -55.685 tors. eta vs tors. theta energy: -28.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -584.937409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.937409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.937409 (E_RNA) where: Base-Base interactions energy: -280.328 where: short stacking energy: -155.770 Base-Backbone interact. energy: 2.882 local terms energy: -307.490917 where: bonds (distance) C4'-P energy: -83.871 bonds (distance) P-C4' energy: -77.347 flat angles C4'-P-C4' energy: -81.158 flat angles P-C4'-P energy: -56.624 tors. eta vs tors. theta energy: -8.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -545.217528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.217528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.217528 (E_RNA) where: Base-Base interactions energy: -258.640 where: short stacking energy: -167.326 Base-Backbone interact. energy: 0.860 local terms energy: -287.437366 where: bonds (distance) C4'-P energy: -74.400 bonds (distance) P-C4' energy: -79.327 flat angles C4'-P-C4' energy: -68.463 flat angles P-C4'-P energy: -48.139 tors. eta vs tors. theta energy: -17.109 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: 8 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -449.845828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.845828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.845828 (E_RNA) where: Base-Base interactions energy: -201.220 where: short stacking energy: -132.265 Base-Backbone interact. energy: -1.670 local terms energy: -246.956112 where: bonds (distance) C4'-P energy: -76.579 bonds (distance) P-C4' energy: -89.292 flat angles C4'-P-C4' energy: -55.549 flat angles P-C4'-P energy: -32.748 tors. eta vs tors. theta energy: 7.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1525.763286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.763286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.763286 (E_RNA) where: Base-Base interactions energy: -1013.836 where: short stacking energy: -454.979 Base-Backbone interact. energy: -0.712 local terms energy: -511.215146 where: bonds (distance) C4'-P energy: -101.423 bonds (distance) P-C4' energy: -100.340 flat angles C4'-P-C4' energy: -104.986 flat angles P-C4'-P energy: -75.158 tors. eta vs tors. theta energy: -129.308 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: 9 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1438.481862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.481862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.481862 (E_RNA) where: Base-Base interactions energy: -944.752 where: short stacking energy: -422.643 Base-Backbone interact. energy: 0.041 local terms energy: -493.771345 where: bonds (distance) C4'-P energy: -101.777 bonds (distance) P-C4' energy: -93.718 flat angles C4'-P-C4' energy: -104.854 flat angles P-C4'-P energy: -73.216 tors. eta vs tors. theta energy: -120.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1312.730694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.730694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.730694 (E_RNA) where: Base-Base interactions energy: -859.701 where: short stacking energy: -372.016 Base-Backbone interact. energy: -3.317 local terms energy: -449.712155 where: bonds (distance) C4'-P energy: -79.545 bonds (distance) P-C4' energy: -97.027 flat angles C4'-P-C4' energy: -90.912 flat angles P-C4'-P energy: -76.257 tors. eta vs tors. theta energy: -105.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -1224.660788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.660788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.660788 (E_RNA) where: Base-Base interactions energy: -777.738 where: short stacking energy: -366.386 Base-Backbone interact. energy: -1.281 local terms energy: -445.641453 where: bonds (distance) C4'-P energy: -79.148 bonds (distance) P-C4' energy: -92.560 flat angles C4'-P-C4' energy: -103.560 flat angles P-C4'-P energy: -61.080 tors. eta vs tors. theta energy: -109.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -1147.691084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.691084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.691084 (E_RNA) where: Base-Base interactions energy: -715.875 where: short stacking energy: -347.864 Base-Backbone interact. energy: -2.231 local terms energy: -429.585381 where: bonds (distance) C4'-P energy: -88.269 bonds (distance) P-C4' energy: -95.820 flat angles C4'-P-C4' energy: -94.480 flat angles P-C4'-P energy: -61.813 tors. eta vs tors. theta energy: -89.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -943.375690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.375690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.375690 (E_RNA) where: Base-Base interactions energy: -584.976 where: short stacking energy: -311.776 Base-Backbone interact. energy: -1.043 local terms energy: -357.356862 where: bonds (distance) C4'-P energy: -89.521 bonds (distance) P-C4' energy: -79.057 flat angles C4'-P-C4' energy: -78.343 flat angles P-C4'-P energy: -52.898 tors. eta vs tors. theta energy: -57.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -803.469078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.469078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.469078 (E_RNA) where: Base-Base interactions energy: -436.082 where: short stacking energy: -228.564 Base-Backbone interact. energy: 0.029 local terms energy: -367.416194 where: bonds (distance) C4'-P energy: -98.528 bonds (distance) P-C4' energy: -83.288 flat angles C4'-P-C4' energy: -79.310 flat angles P-C4'-P energy: -67.438 tors. eta vs tors. theta energy: -38.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -571.732234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.732234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.732234 (E_RNA) where: Base-Base interactions energy: -289.354 where: short stacking energy: -177.667 Base-Backbone interact. energy: -0.316 local terms energy: -282.061961 where: bonds (distance) C4'-P energy: -73.873 bonds (distance) P-C4' energy: -85.649 flat angles C4'-P-C4' energy: -75.872 flat angles P-C4'-P energy: -30.527 tors. eta vs tors. theta energy: -16.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -507.152102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.152102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.152102 (E_RNA) where: Base-Base interactions energy: -236.425 where: short stacking energy: -144.408 Base-Backbone interact. energy: -0.739 local terms energy: -269.987472 where: bonds (distance) C4'-P energy: -80.255 bonds (distance) P-C4' energy: -70.553 flat angles C4'-P-C4' energy: -76.686 flat angles P-C4'-P energy: -52.554 tors. eta vs tors. theta energy: 10.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -472.897052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.897052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.897052 (E_RNA) where: Base-Base interactions energy: -190.210 where: short stacking energy: -98.191 Base-Backbone interact. energy: -1.266 local terms energy: -281.420909 where: bonds (distance) C4'-P energy: -76.283 bonds (distance) P-C4' energy: -88.611 flat angles C4'-P-C4' energy: -84.719 flat angles P-C4'-P energy: -49.651 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: 5 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1501.115837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.115837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.115837 (E_RNA) where: Base-Base interactions energy: -1004.383 where: short stacking energy: -450.673 Base-Backbone interact. energy: -0.057 local terms energy: -496.675884 where: bonds (distance) C4'-P energy: -97.483 bonds (distance) P-C4' energy: -89.313 flat angles C4'-P-C4' energy: -116.479 flat angles P-C4'-P energy: -65.667 tors. eta vs tors. theta energy: -127.734 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: 261 Temperature: 0.950000 Total energy: -1388.556661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.556661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.556661 (E_RNA) where: Base-Base interactions energy: -936.352 where: short stacking energy: -415.140 Base-Backbone interact. energy: 5.045 local terms energy: -457.249652 where: bonds (distance) C4'-P energy: -88.364 bonds (distance) P-C4' energy: -90.193 flat angles C4'-P-C4' energy: -102.334 flat angles P-C4'-P energy: -58.129 tors. eta vs tors. theta energy: -118.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1344.411225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.411225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.411225 (E_RNA) where: Base-Base interactions energy: -867.029 where: short stacking energy: -388.640 Base-Backbone interact. energy: -2.881 local terms energy: -474.501604 where: bonds (distance) C4'-P energy: -99.250 bonds (distance) P-C4' energy: -97.685 flat angles C4'-P-C4' energy: -100.818 flat angles P-C4'-P energy: -61.648 tors. eta vs tors. theta energy: -115.101 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: 4, replica: 7 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1211.141671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.141671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.141671 (E_RNA) where: Base-Base interactions energy: -773.099 where: short stacking energy: -359.047 Base-Backbone interact. energy: -0.397 local terms energy: -437.645859 where: bonds (distance) C4'-P energy: -92.275 bonds (distance) P-C4' energy: -100.279 flat angles C4'-P-C4' energy: -95.244 flat angles P-C4'-P energy: -57.972 tors. eta vs tors. theta energy: -91.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -1108.083250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.083250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.083250 (E_RNA) where: Base-Base interactions energy: -699.140 where: short stacking energy: -304.548 Base-Backbone interact. energy: 0.430 local terms energy: -409.373299 where: bonds (distance) C4'-P energy: -94.407 bonds (distance) P-C4' energy: -110.773 flat angles C4'-P-C4' energy: -74.212 flat angles P-C4'-P energy: -64.859 tors. eta vs tors. theta energy: -65.122 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: 6, replica: 10 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -934.400118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.400118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.400118 (E_RNA) where: Base-Base interactions energy: -580.032 where: short stacking energy: -269.950 Base-Backbone interact. energy: -1.662 local terms energy: -352.706356 where: bonds (distance) C4'-P energy: -88.022 bonds (distance) P-C4' energy: -80.068 flat angles C4'-P-C4' energy: -72.781 flat angles P-C4'-P energy: -54.043 tors. eta vs tors. theta energy: -57.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -780.410178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.410178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.410178 (E_RNA) where: Base-Base interactions energy: -431.255 where: short stacking energy: -213.953 Base-Backbone interact. energy: -1.228 local terms energy: -347.927893 where: bonds (distance) C4'-P energy: -89.982 bonds (distance) P-C4' energy: -87.441 flat angles C4'-P-C4' energy: -74.564 flat angles P-C4'-P energy: -56.156 tors. eta vs tors. theta energy: -39.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -562.048556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.048556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.048556 (E_RNA) where: Base-Base interactions energy: -265.652 where: short stacking energy: -169.777 Base-Backbone interact. energy: 0.898 local terms energy: -297.294253 where: bonds (distance) C4'-P energy: -86.377 bonds (distance) P-C4' energy: -87.194 flat angles C4'-P-C4' energy: -80.532 flat angles P-C4'-P energy: -34.829 tors. eta vs tors. theta energy: -8.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -521.932864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.932864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.932864 (E_RNA) where: Base-Base interactions energy: -256.866 where: short stacking energy: -158.807 Base-Backbone interact. energy: 5.807 local terms energy: -270.873924 where: bonds (distance) C4'-P energy: -69.067 bonds (distance) P-C4' energy: -74.140 flat angles C4'-P-C4' energy: -74.898 flat angles P-C4'-P energy: -46.500 tors. eta vs tors. theta energy: -6.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -485.167454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.167454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.167454 (E_RNA) where: Base-Base interactions energy: -215.297 where: short stacking energy: -115.499 Base-Backbone interact. energy: -0.126 local terms energy: -269.744168 where: bonds (distance) C4'-P energy: -73.824 bonds (distance) P-C4' energy: -87.253 flat angles C4'-P-C4' energy: -76.054 flat angles P-C4'-P energy: -40.943 tors. eta vs tors. theta energy: 8.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1509.015954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.015954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.015954 (E_RNA) where: Base-Base interactions energy: -1011.632 where: short stacking energy: -449.186 Base-Backbone interact. energy: -3.693 local terms energy: -493.691070 where: bonds (distance) C4'-P energy: -97.607 bonds (distance) P-C4' energy: -92.840 flat angles C4'-P-C4' energy: -108.628 flat angles P-C4'-P energy: -62.574 tors. eta vs tors. theta energy: -132.042 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: 9 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1408.016233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.016233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.016233 (E_RNA) where: Base-Base interactions energy: -915.798 where: short stacking energy: -423.281 Base-Backbone interact. energy: -4.500 local terms energy: -487.718078 where: bonds (distance) C4'-P energy: -93.265 bonds (distance) P-C4' energy: -105.213 flat angles C4'-P-C4' energy: -106.069 flat angles P-C4'-P energy: -68.719 tors. eta vs tors. theta energy: -114.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1351.982133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.982133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.982133 (E_RNA) where: Base-Base interactions energy: -911.928 where: short stacking energy: -394.526 Base-Backbone interact. energy: -3.742 local terms energy: -436.311736 where: bonds (distance) C4'-P energy: -79.399 bonds (distance) P-C4' energy: -88.639 flat angles C4'-P-C4' energy: -103.758 flat angles P-C4'-P energy: -52.566 tors. eta vs tors. theta energy: -111.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -1199.227365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.227365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.227365 (E_RNA) where: Base-Base interactions energy: -764.501 where: short stacking energy: -372.001 Base-Backbone interact. energy: -1.521 local terms energy: -433.205060 where: bonds (distance) C4'-P energy: -93.872 bonds (distance) P-C4' energy: -90.161 flat angles C4'-P-C4' energy: -94.298 flat angles P-C4'-P energy: -61.510 tors. eta vs tors. theta energy: -93.363 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: 3 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -1115.090670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.090670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.090670 (E_RNA) where: Base-Base interactions energy: -683.177 where: short stacking energy: -322.181 Base-Backbone interact. energy: -1.472 local terms energy: -430.441717 where: bonds (distance) C4'-P energy: -85.743 bonds (distance) P-C4' energy: -97.046 flat angles C4'-P-C4' energy: -104.655 flat angles P-C4'-P energy: -67.115 tors. eta vs tors. theta energy: -75.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -910.983736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.983736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.983736 (E_RNA) where: Base-Base interactions energy: -553.038 where: short stacking energy: -252.900 Base-Backbone interact. energy: -1.573 local terms energy: -356.372826 where: bonds (distance) C4'-P energy: -79.505 bonds (distance) P-C4' energy: -87.777 flat angles C4'-P-C4' energy: -80.283 flat angles P-C4'-P energy: -53.950 tors. eta vs tors. theta energy: -54.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -775.272151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.272151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.272151 (E_RNA) where: Base-Base interactions energy: -441.638 where: short stacking energy: -224.200 Base-Backbone interact. energy: 0.256 local terms energy: -333.889840 where: bonds (distance) C4'-P energy: -87.209 bonds (distance) P-C4' energy: -85.767 flat angles C4'-P-C4' energy: -83.517 flat angles P-C4'-P energy: -44.858 tors. eta vs tors. theta energy: -32.538 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: 8, replica: 8 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -670.724021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.724021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.724021 (E_RNA) where: Base-Base interactions energy: -356.598 where: short stacking energy: -203.572 Base-Backbone interact. energy: 3.859 local terms energy: -317.985026 where: bonds (distance) C4'-P energy: -74.953 bonds (distance) P-C4' energy: -78.355 flat angles C4'-P-C4' energy: -85.313 flat angles P-C4'-P energy: -55.687 tors. eta vs tors. theta energy: -23.677 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: 1 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -542.272872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.272872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.272872 (E_RNA) where: Base-Base interactions energy: -277.970 where: short stacking energy: -173.915 Base-Backbone interact. energy: 0.700 local terms energy: -265.003332 where: bonds (distance) C4'-P energy: -82.924 bonds (distance) P-C4' energy: -68.499 flat angles C4'-P-C4' energy: -75.853 flat angles P-C4'-P energy: -33.509 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: 10, replica: 4 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -487.785682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.785682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.785682 (E_RNA) where: Base-Base interactions energy: -238.276 where: short stacking energy: -133.591 Base-Backbone interact. energy: 0.952 local terms energy: -250.461486 where: bonds (distance) C4'-P energy: -73.751 bonds (distance) P-C4' energy: -71.110 flat angles C4'-P-C4' energy: -59.372 flat angles P-C4'-P energy: -46.242 tors. eta vs tors. theta energy: 0.014 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: 1, replica: 5 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1497.069848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.069848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.069848 (E_RNA) where: Base-Base interactions energy: -992.563 where: short stacking energy: -459.921 Base-Backbone interact. energy: -1.624 local terms energy: -502.883564 where: bonds (distance) C4'-P energy: -93.997 bonds (distance) P-C4' energy: -95.908 flat angles C4'-P-C4' energy: -112.929 flat angles P-C4'-P energy: -72.770 tors. eta vs tors. theta energy: -127.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1430.156134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.156134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.156134 (E_RNA) where: Base-Base interactions energy: -946.573 where: short stacking energy: -454.701 Base-Backbone interact. energy: 4.801 local terms energy: -488.383973 where: bonds (distance) C4'-P energy: -96.895 bonds (distance) P-C4' energy: -92.996 flat angles C4'-P-C4' energy: -103.421 flat angles P-C4'-P energy: -69.651 tors. eta vs tors. theta energy: -125.421 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: 263 Temperature: 1.000000 Total energy: -1307.735343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.735343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.735343 (E_RNA) where: Base-Base interactions energy: -840.038 where: short stacking energy: -359.965 Base-Backbone interact. energy: -2.540 local terms energy: -465.157213 where: bonds (distance) C4'-P energy: -96.616 bonds (distance) P-C4' energy: -88.253 flat angles C4'-P-C4' energy: -99.436 flat angles P-C4'-P energy: -71.043 tors. eta vs tors. theta energy: -109.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1158.554861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.554861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.554861 (E_RNA) where: Base-Base interactions energy: -722.614 where: short stacking energy: -345.578 Base-Backbone interact. energy: 0.226 local terms energy: -436.167008 where: bonds (distance) C4'-P energy: -81.917 bonds (distance) P-C4' energy: -102.454 flat angles C4'-P-C4' energy: -90.101 flat angles P-C4'-P energy: -70.617 tors. eta vs tors. theta energy: -91.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -1107.431691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.431691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.431691 (E_RNA) where: Base-Base interactions energy: -692.671 where: short stacking energy: -332.949 Base-Backbone interact. energy: -0.190 local terms energy: -414.570074 where: bonds (distance) C4'-P energy: -91.515 bonds (distance) P-C4' energy: -84.678 flat angles C4'-P-C4' energy: -99.301 flat angles P-C4'-P energy: -66.211 tors. eta vs tors. theta energy: -72.865 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: 6, replica: 10 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -947.041781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.041781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.041781 (E_RNA) where: Base-Base interactions energy: -589.143 where: short stacking energy: -287.124 Base-Backbone interact. energy: 2.344 local terms energy: -360.242483 where: bonds (distance) C4'-P energy: -83.681 bonds (distance) P-C4' energy: -84.900 flat angles C4'-P-C4' energy: -91.487 flat angles P-C4'-P energy: -46.995 tors. eta vs tors. theta energy: -53.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -792.877333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.877333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.877333 (E_RNA) where: Base-Base interactions energy: -463.149 where: short stacking energy: -235.921 Base-Backbone interact. energy: -0.612 local terms energy: -329.116678 where: bonds (distance) C4'-P energy: -86.084 bonds (distance) P-C4' energy: -87.668 flat angles C4'-P-C4' energy: -67.745 flat angles P-C4'-P energy: -55.754 tors. eta vs tors. theta energy: -31.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -676.665325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.665325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.665325 (E_RNA) where: Base-Base interactions energy: -376.973 where: short stacking energy: -229.053 Base-Backbone interact. energy: 4.320 local terms energy: -304.012420 where: bonds (distance) C4'-P energy: -65.455 bonds (distance) P-C4' energy: -95.924 flat angles C4'-P-C4' energy: -80.400 flat angles P-C4'-P energy: -45.044 tors. eta vs tors. theta energy: -17.189 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: 9, replica: 1 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -498.098181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.098181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.098181 (E_RNA) where: Base-Base interactions energy: -237.130 where: short stacking energy: -149.094 Base-Backbone interact. energy: 1.990 local terms energy: -262.958075 where: bonds (distance) C4'-P energy: -75.515 bonds (distance) P-C4' energy: -76.802 flat angles C4'-P-C4' energy: -66.274 flat angles P-C4'-P energy: -43.945 tors. eta vs tors. theta energy: -0.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -485.246127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.246127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.246127 (E_RNA) where: Base-Base interactions energy: -221.027 where: short stacking energy: -127.295 Base-Backbone interact. energy: 7.036 local terms energy: -271.254611 where: bonds (distance) C4'-P energy: -70.366 bonds (distance) P-C4' energy: -81.481 flat angles C4'-P-C4' energy: -79.993 flat angles P-C4'-P energy: -46.212 tors. eta vs tors. theta energy: 6.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1507.139611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.139611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.139611 (E_RNA) where: Base-Base interactions energy: -999.540 where: short stacking energy: -464.094 Base-Backbone interact. energy: -1.953 local terms energy: -505.646487 where: bonds (distance) C4'-P energy: -101.906 bonds (distance) P-C4' energy: -92.303 flat angles C4'-P-C4' energy: -111.410 flat angles P-C4'-P energy: -68.601 tors. eta vs tors. theta energy: -131.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1397.113630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.113630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.113630 (E_RNA) where: Base-Base interactions energy: -923.640 where: short stacking energy: -430.858 Base-Backbone interact. energy: 0.319 local terms energy: -473.793504 where: bonds (distance) C4'-P energy: -79.773 bonds (distance) P-C4' energy: -97.418 flat angles C4'-P-C4' energy: -110.966 flat angles P-C4'-P energy: -65.164 tors. eta vs tors. theta energy: -120.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1313.416928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.416928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.416928 (E_RNA) where: Base-Base interactions energy: -864.587 where: short stacking energy: -394.526 Base-Backbone interact. energy: -1.097 local terms energy: -447.732849 where: bonds (distance) C4'-P energy: -95.220 bonds (distance) P-C4' energy: -97.911 flat angles C4'-P-C4' energy: -90.920 flat angles P-C4'-P energy: -48.069 tors. eta vs tors. theta energy: -115.614 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: 7 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1185.075200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.075200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.075200 (E_RNA) where: Base-Base interactions energy: -749.201 where: short stacking energy: -355.919 Base-Backbone interact. energy: -2.739 local terms energy: -433.135218 where: bonds (distance) C4'-P energy: -96.521 bonds (distance) P-C4' energy: -86.728 flat angles C4'-P-C4' energy: -93.962 flat angles P-C4'-P energy: -69.243 tors. eta vs tors. theta energy: -86.682 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: 3 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -1117.890866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.890866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.890866 (E_RNA) where: Base-Base interactions energy: -710.979 where: short stacking energy: -332.615 Base-Backbone interact. energy: -1.248 local terms energy: -405.663688 where: bonds (distance) C4'-P energy: -89.357 bonds (distance) P-C4' energy: -98.921 flat angles C4'-P-C4' energy: -85.468 flat angles P-C4'-P energy: -61.891 tors. eta vs tors. theta energy: -70.026 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: 10 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -950.502327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.502327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.502327 (E_RNA) where: Base-Base interactions energy: -585.698 where: short stacking energy: -266.711 Base-Backbone interact. energy: 2.571 local terms energy: -367.375059 where: bonds (distance) C4'-P energy: -84.600 bonds (distance) P-C4' energy: -89.323 flat angles C4'-P-C4' energy: -83.022 flat angles P-C4'-P energy: -52.401 tors. eta vs tors. theta energy: -58.029 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: 8 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -665.363159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.363159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.363159 (E_RNA) where: Base-Base interactions energy: -341.137 where: short stacking energy: -200.238 Base-Backbone interact. energy: 1.082 local terms energy: -325.308534 where: bonds (distance) C4'-P energy: -79.227 bonds (distance) P-C4' energy: -81.548 flat angles C4'-P-C4' energy: -86.111 flat angles P-C4'-P energy: -50.060 tors. eta vs tors. theta energy: -28.362 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: 6 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -739.819008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.819008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.819008 (E_RNA) where: Base-Base interactions energy: -400.330 where: short stacking energy: -212.427 Base-Backbone interact. energy: -0.374 local terms energy: -339.114975 where: bonds (distance) C4'-P energy: -81.065 bonds (distance) P-C4' energy: -90.239 flat angles C4'-P-C4' energy: -89.731 flat angles P-C4'-P energy: -54.752 tors. eta vs tors. theta energy: -23.329 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: 264 Temperature: 1.300000 Total energy: -547.389850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.389850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.389850 (E_RNA) where: Base-Base interactions energy: -272.481 where: short stacking energy: -147.387 Base-Backbone interact. energy: 0.254 local terms energy: -275.162608 where: bonds (distance) C4'-P energy: -66.622 bonds (distance) P-C4' energy: -84.620 flat angles C4'-P-C4' energy: -86.479 flat angles P-C4'-P energy: -39.461 tors. eta vs tors. theta energy: 2.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -491.975726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.975726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.975726 (E_RNA) where: Base-Base interactions energy: -234.995 where: short stacking energy: -140.457 Base-Backbone interact. energy: -2.538 local terms energy: -254.442099 where: bonds (distance) C4'-P energy: -77.519 bonds (distance) P-C4' energy: -81.492 flat angles C4'-P-C4' energy: -59.437 flat angles P-C4'-P energy: -40.205 tors. eta vs tors. theta energy: 4.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1492.121565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.121565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.121565 (E_RNA) where: Base-Base interactions energy: -993.925 where: short stacking energy: -459.247 Base-Backbone interact. energy: -0.637 local terms energy: -497.559503 where: bonds (distance) C4'-P energy: -87.952 bonds (distance) P-C4' energy: -89.211 flat angles C4'-P-C4' energy: -106.992 flat angles P-C4'-P energy: -75.878 tors. eta vs tors. theta energy: -137.527 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: 2, replica: 9 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1369.920734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.920734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.920734 (E_RNA) where: Base-Base interactions energy: -905.265 where: short stacking energy: -429.508 Base-Backbone interact. energy: 1.674 local terms energy: -466.330542 where: bonds (distance) C4'-P energy: -88.318 bonds (distance) P-C4' energy: -83.427 flat angles C4'-P-C4' energy: -116.424 flat angles P-C4'-P energy: -67.026 tors. eta vs tors. theta energy: -111.136 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: 2 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1347.482009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.482009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.482009 (E_RNA) where: Base-Base interactions energy: -855.002 where: short stacking energy: -400.655 Base-Backbone interact. energy: -1.444 local terms energy: -491.035362 where: bonds (distance) C4'-P energy: -94.703 bonds (distance) P-C4' energy: -96.466 flat angles C4'-P-C4' energy: -105.463 flat angles P-C4'-P energy: -72.679 tors. eta vs tors. theta energy: -121.724 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: 7 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1213.198465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.198465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.198465 (E_RNA) where: Base-Base interactions energy: -767.980 where: short stacking energy: -367.335 Base-Backbone interact. energy: -3.984 local terms energy: -441.234357 where: bonds (distance) C4'-P energy: -81.523 bonds (distance) P-C4' energy: -93.537 flat angles C4'-P-C4' energy: -101.564 flat angles P-C4'-P energy: -67.014 tors. eta vs tors. theta energy: -97.597 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: 3 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -1131.587809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.587809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.587809 (E_RNA) where: Base-Base interactions energy: -727.654 where: short stacking energy: -334.289 Base-Backbone interact. energy: 1.897 local terms energy: -405.830525 where: bonds (distance) C4'-P energy: -90.712 bonds (distance) P-C4' energy: -90.151 flat angles C4'-P-C4' energy: -96.286 flat angles P-C4'-P energy: -66.181 tors. eta vs tors. theta energy: -62.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -988.090437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.090437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.090437 (E_RNA) where: Base-Base interactions energy: -616.006 where: short stacking energy: -285.834 Base-Backbone interact. energy: -0.563 local terms energy: -371.522184 where: bonds (distance) C4'-P energy: -94.438 bonds (distance) P-C4' energy: -66.771 flat angles C4'-P-C4' energy: -91.073 flat angles P-C4'-P energy: -52.232 tors. eta vs tors. theta energy: -67.008 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: 8 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -686.391968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.391968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.391968 (E_RNA) where: Base-Base interactions energy: -378.300 where: short stacking energy: -225.842 Base-Backbone interact. energy: 2.065 local terms energy: -310.157501 where: bonds (distance) C4'-P energy: -68.999 bonds (distance) P-C4' energy: -85.329 flat angles C4'-P-C4' energy: -84.540 flat angles P-C4'-P energy: -40.074 tors. eta vs tors. theta energy: -31.216 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: 6 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -684.357385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.357385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.357385 (E_RNA) where: Base-Base interactions energy: -383.173 where: short stacking energy: -202.125 Base-Backbone interact. energy: -2.682 local terms energy: -298.501989 where: bonds (distance) C4'-P energy: -88.351 bonds (distance) P-C4' energy: -86.618 flat angles C4'-P-C4' energy: -75.278 flat angles P-C4'-P energy: -29.160 tors. eta vs tors. theta energy: -19.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -602.133882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.133882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.133882 (E_RNA) where: Base-Base interactions energy: -312.424 where: short stacking energy: -166.074 Base-Backbone interact. energy: -0.605 local terms energy: -289.104974 where: bonds (distance) C4'-P energy: -82.268 bonds (distance) P-C4' energy: -77.969 flat angles C4'-P-C4' energy: -75.763 flat angles P-C4'-P energy: -61.285 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: 1 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -504.124482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.124482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.124482 (E_RNA) where: Base-Base interactions energy: -233.642 where: short stacking energy: -127.799 Base-Backbone interact. energy: 0.510 local terms energy: -270.993191 where: bonds (distance) C4'-P energy: -84.953 bonds (distance) P-C4' energy: -88.595 flat angles C4'-P-C4' energy: -52.425 flat angles P-C4'-P energy: -53.898 tors. eta vs tors. theta energy: 8.878 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: 5 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1458.311452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.311452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.311452 (E_RNA) where: Base-Base interactions energy: -983.983 where: short stacking energy: -444.889 Base-Backbone interact. energy: -1.751 local terms energy: -472.578015 where: bonds (distance) C4'-P energy: -86.335 bonds (distance) P-C4' energy: -95.095 flat angles C4'-P-C4' energy: -101.844 flat angles P-C4'-P energy: -64.483 tors. eta vs tors. theta energy: -124.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1398.062959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.062959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.062959 (E_RNA) where: Base-Base interactions energy: -937.643 where: short stacking energy: -417.583 Base-Backbone interact. energy: -0.161 local terms energy: -460.258657 where: bonds (distance) C4'-P energy: -84.290 bonds (distance) P-C4' energy: -94.235 flat angles C4'-P-C4' energy: -104.700 flat angles P-C4'-P energy: -69.135 tors. eta vs tors. theta energy: -107.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1318.448175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.448175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.448175 (E_RNA) where: Base-Base interactions energy: -858.823 where: short stacking energy: -386.194 Base-Backbone interact. energy: -3.466 local terms energy: -456.159123 where: bonds (distance) C4'-P energy: -84.126 bonds (distance) P-C4' energy: -85.824 flat angles C4'-P-C4' energy: -109.966 flat angles P-C4'-P energy: -63.102 tors. eta vs tors. theta energy: -113.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1181.400419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.400419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.400419 (E_RNA) where: Base-Base interactions energy: -759.719 where: short stacking energy: -378.397 Base-Backbone interact. energy: -0.140 local terms energy: -421.541843 where: bonds (distance) C4'-P energy: -67.406 bonds (distance) P-C4' energy: -91.910 flat angles C4'-P-C4' energy: -98.701 flat angles P-C4'-P energy: -66.297 tors. eta vs tors. theta energy: -97.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -1124.807872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.807872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.807872 (E_RNA) where: Base-Base interactions energy: -723.600 where: short stacking energy: -362.294 Base-Backbone interact. energy: 0.972 local terms energy: -402.179691 where: bonds (distance) C4'-P energy: -83.649 bonds (distance) P-C4' energy: -100.699 flat angles C4'-P-C4' energy: -89.930 flat angles P-C4'-P energy: -56.058 tors. eta vs tors. theta energy: -71.845 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: 6, replica: 10 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1006.111203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.111203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.111203 (E_RNA) where: Base-Base interactions energy: -652.036 where: short stacking energy: -323.461 Base-Backbone interact. energy: -0.244 local terms energy: -353.830569 where: bonds (distance) C4'-P energy: -93.173 bonds (distance) P-C4' energy: -76.933 flat angles C4'-P-C4' energy: -78.345 flat angles P-C4'-P energy: -40.060 tors. eta vs tors. theta energy: -65.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -770.376594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.376594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.376594 (E_RNA) where: Base-Base interactions energy: -465.995 where: short stacking energy: -237.640 Base-Backbone interact. energy: 1.770 local terms energy: -306.151504 where: bonds (distance) C4'-P energy: -78.648 bonds (distance) P-C4' energy: -78.548 flat angles C4'-P-C4' energy: -82.151 flat angles P-C4'-P energy: -27.420 tors. eta vs tors. theta energy: -39.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -657.274910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.274910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.274910 (E_RNA) where: Base-Base interactions energy: -355.935 where: short stacking energy: -204.934 Base-Backbone interact. energy: 1.248 local terms energy: -302.588369 where: bonds (distance) C4'-P energy: -81.321 bonds (distance) P-C4' energy: -72.417 flat angles C4'-P-C4' energy: -71.598 flat angles P-C4'-P energy: -50.040 tors. eta vs tors. theta energy: -27.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -627.644637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.644637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.644637 (E_RNA) where: Base-Base interactions energy: -337.452 where: short stacking energy: -175.118 Base-Backbone interact. energy: -0.678 local terms energy: -289.513764 where: bonds (distance) C4'-P energy: -71.246 bonds (distance) P-C4' energy: -84.085 flat angles C4'-P-C4' energy: -67.226 flat angles P-C4'-P energy: -44.931 tors. eta vs tors. theta energy: -22.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -499.183627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.183627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.183627 (E_RNA) where: Base-Base interactions energy: -233.241 where: short stacking energy: -133.298 Base-Backbone interact. energy: -1.412 local terms energy: -264.530683 where: bonds (distance) C4'-P energy: -78.754 bonds (distance) P-C4' energy: -76.860 flat angles C4'-P-C4' energy: -78.364 flat angles P-C4'-P energy: -41.582 tors. eta vs tors. theta energy: 11.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1469.985745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.985745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.985745 (E_RNA) where: Base-Base interactions energy: -979.278 where: short stacking energy: -437.012 Base-Backbone interact. energy: -3.503 local terms energy: -487.205252 where: bonds (distance) C4'-P energy: -91.891 bonds (distance) P-C4' energy: -101.525 flat angles C4'-P-C4' energy: -103.729 flat angles P-C4'-P energy: -65.543 tors. eta vs tors. theta energy: -124.517 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: 9 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -1426.605234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.605234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.605234 (E_RNA) where: Base-Base interactions energy: -977.267 where: short stacking energy: -443.616 Base-Backbone interact. energy: 0.052 local terms energy: -449.390846 where: bonds (distance) C4'-P energy: -78.303 bonds (distance) P-C4' energy: -96.576 flat angles C4'-P-C4' energy: -92.197 flat angles P-C4'-P energy: -69.332 tors. eta vs tors. theta energy: -112.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1359.283502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.283502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.283502 (E_RNA) where: Base-Base interactions energy: -892.167 where: short stacking energy: -407.534 Base-Backbone interact. energy: -2.005 local terms energy: -465.112162 where: bonds (distance) C4'-P energy: -81.011 bonds (distance) P-C4' energy: -99.826 flat angles C4'-P-C4' energy: -101.108 flat angles P-C4'-P energy: -64.258 tors. eta vs tors. theta energy: -118.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1147.322737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.322737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.322737 (E_RNA) where: Base-Base interactions energy: -716.804 where: short stacking energy: -342.250 Base-Backbone interact. energy: 1.380 local terms energy: -431.899040 where: bonds (distance) C4'-P energy: -93.558 bonds (distance) P-C4' energy: -91.553 flat angles C4'-P-C4' energy: -95.866 flat angles P-C4'-P energy: -64.076 tors. eta vs tors. theta energy: -86.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1151.094603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.094603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.094603 (E_RNA) where: Base-Base interactions energy: -749.835 where: short stacking energy: -328.940 Base-Backbone interact. energy: 0.858 local terms energy: -402.117649 where: bonds (distance) C4'-P energy: -69.412 bonds (distance) P-C4' energy: -80.785 flat angles C4'-P-C4' energy: -94.625 flat angles P-C4'-P energy: -67.746 tors. eta vs tors. theta energy: -89.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -974.053101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.053101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.053101 (E_RNA) where: Base-Base interactions energy: -603.972 where: short stacking energy: -273.668 Base-Backbone interact. energy: -1.189 local terms energy: -368.891787 where: bonds (distance) C4'-P energy: -90.649 bonds (distance) P-C4' energy: -73.465 flat angles C4'-P-C4' energy: -86.024 flat angles P-C4'-P energy: -51.913 tors. eta vs tors. theta energy: -66.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -735.637287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.637287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.637287 (E_RNA) where: Base-Base interactions energy: -420.789 where: short stacking energy: -236.270 Base-Backbone interact. energy: -0.285 local terms energy: -314.563583 where: bonds (distance) C4'-P energy: -74.808 bonds (distance) P-C4' energy: -79.480 flat angles C4'-P-C4' energy: -85.436 flat angles P-C4'-P energy: -45.039 tors. eta vs tors. theta energy: -29.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -691.485428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.485428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.485428 (E_RNA) where: Base-Base interactions energy: -398.076 where: short stacking energy: -185.565 Base-Backbone interact. energy: -0.952 local terms energy: -292.458217 where: bonds (distance) C4'-P energy: -72.005 bonds (distance) P-C4' energy: -100.515 flat angles C4'-P-C4' energy: -61.057 flat angles P-C4'-P energy: -58.095 tors. eta vs tors. theta energy: -0.786 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: 9, replica: 4 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -573.745581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.745581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.745581 (E_RNA) where: Base-Base interactions energy: -287.442 where: short stacking energy: -166.829 Base-Backbone interact. energy: -3.812 local terms energy: -282.490858 where: bonds (distance) C4'-P energy: -76.552 bonds (distance) P-C4' energy: -83.496 flat angles C4'-P-C4' energy: -71.975 flat angles P-C4'-P energy: -45.862 tors. eta vs tors. theta energy: -4.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -487.676468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.676468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.676468 (E_RNA) where: Base-Base interactions energy: -220.282 where: short stacking energy: -134.892 Base-Backbone interact. energy: 1.556 local terms energy: -268.951136 where: bonds (distance) C4'-P energy: -84.031 bonds (distance) P-C4' energy: -94.164 flat angles C4'-P-C4' energy: -63.819 flat angles P-C4'-P energy: -38.468 tors. eta vs tors. theta energy: 11.531 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: 5 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1510.141051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.141051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.141051 (E_RNA) where: Base-Base interactions energy: -1007.599 where: short stacking energy: -471.717 Base-Backbone interact. energy: -3.873 local terms energy: -498.668919 where: bonds (distance) C4'-P energy: -84.744 bonds (distance) P-C4' energy: -101.205 flat angles C4'-P-C4' energy: -105.803 flat angles P-C4'-P energy: -74.591 tors. eta vs tors. theta energy: -132.326 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: 2, replica: 9 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1436.654196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.654196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.654196 (E_RNA) where: Base-Base interactions energy: -947.798 where: short stacking energy: -429.126 Base-Backbone interact. energy: -2.711 local terms energy: -486.145199 where: bonds (distance) C4'-P energy: -100.793 bonds (distance) P-C4' energy: -96.788 flat angles C4'-P-C4' energy: -98.494 flat angles P-C4'-P energy: -69.688 tors. eta vs tors. theta energy: -120.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1320.954920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.954920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.954920 (E_RNA) where: Base-Base interactions energy: -870.158 where: short stacking energy: -404.829 Base-Backbone interact. energy: -1.862 local terms energy: -448.934496 where: bonds (distance) C4'-P energy: -80.719 bonds (distance) P-C4' energy: -93.484 flat angles C4'-P-C4' energy: -98.828 flat angles P-C4'-P energy: -64.775 tors. eta vs tors. theta energy: -111.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1166.086283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.086283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.086283 (E_RNA) where: Base-Base interactions energy: -745.325 where: short stacking energy: -356.004 Base-Backbone interact. energy: 0.503 local terms energy: -421.265210 where: bonds (distance) C4'-P energy: -76.742 bonds (distance) P-C4' energy: -89.350 flat angles C4'-P-C4' energy: -90.583 flat angles P-C4'-P energy: -67.977 tors. eta vs tors. theta energy: -96.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1165.874186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.874186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.874186 (E_RNA) where: Base-Base interactions energy: -754.954 where: short stacking energy: -340.328 Base-Backbone interact. energy: 1.105 local terms energy: -412.025462 where: bonds (distance) C4'-P energy: -74.792 bonds (distance) P-C4' energy: -94.583 flat angles C4'-P-C4' energy: -94.017 flat angles P-C4'-P energy: -65.847 tors. eta vs tors. theta energy: -82.787 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: 268 Temperature: 1.150000 Total energy: -974.769195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.769195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.769195 (E_RNA) where: Base-Base interactions energy: -596.289 where: short stacking energy: -295.672 Base-Backbone interact. energy: 4.259 local terms energy: -382.739598 where: bonds (distance) C4'-P energy: -83.100 bonds (distance) P-C4' energy: -90.794 flat angles C4'-P-C4' energy: -74.747 flat angles P-C4'-P energy: -65.902 tors. eta vs tors. theta energy: -68.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -740.891666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.891666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.891666 (E_RNA) where: Base-Base interactions energy: -420.953 where: short stacking energy: -189.912 Base-Backbone interact. energy: -0.194 local terms energy: -319.744410 where: bonds (distance) C4'-P energy: -81.068 bonds (distance) P-C4' energy: -88.184 flat angles C4'-P-C4' energy: -76.239 flat angles P-C4'-P energy: -55.480 tors. eta vs tors. theta energy: -18.775 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: 8, replica: 8 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -713.311951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.311951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.311951 (E_RNA) where: Base-Base interactions energy: -393.941 where: short stacking energy: -194.389 Base-Backbone interact. energy: -1.687 local terms energy: -317.683962 where: bonds (distance) C4'-P energy: -89.086 bonds (distance) P-C4' energy: -69.689 flat angles C4'-P-C4' energy: -84.845 flat angles P-C4'-P energy: -38.156 tors. eta vs tors. theta energy: -35.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -576.157190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.157190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.157190 (E_RNA) where: Base-Base interactions energy: -289.983 where: short stacking energy: -171.674 Base-Backbone interact. energy: 2.221 local terms energy: -288.395405 where: bonds (distance) C4'-P energy: -64.749 bonds (distance) P-C4' energy: -94.562 flat angles C4'-P-C4' energy: -67.727 flat angles P-C4'-P energy: -51.237 tors. eta vs tors. theta energy: -10.121 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: 1 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -534.942470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.942470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.942470 (E_RNA) where: Base-Base interactions energy: -269.010 where: short stacking energy: -160.209 Base-Backbone interact. energy: 2.211 local terms energy: -268.143607 where: bonds (distance) C4'-P energy: -79.918 bonds (distance) P-C4' energy: -87.085 flat angles C4'-P-C4' energy: -76.051 flat angles P-C4'-P energy: -25.634 tors. eta vs tors. theta energy: 0.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1527.137732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.137732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.137732 (E_RNA) where: Base-Base interactions energy: -1016.401 where: short stacking energy: -474.247 Base-Backbone interact. energy: 1.838 local terms energy: -512.575203 where: bonds (distance) C4'-P energy: -96.222 bonds (distance) P-C4' energy: -98.217 flat angles C4'-P-C4' energy: -108.950 flat angles P-C4'-P energy: -69.308 tors. eta vs tors. theta energy: -139.879 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: 9 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1468.809661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.809661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.809661 (E_RNA) where: Base-Base interactions energy: -979.752 where: short stacking energy: -461.620 Base-Backbone interact. energy: -1.424 local terms energy: -487.633587 where: bonds (distance) C4'-P energy: -92.372 bonds (distance) P-C4' energy: -92.723 flat angles C4'-P-C4' energy: -106.854 flat angles P-C4'-P energy: -65.088 tors. eta vs tors. theta energy: -130.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1288.289287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.289287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.289287 (E_RNA) where: Base-Base interactions energy: -823.782 where: short stacking energy: -363.635 Base-Backbone interact. energy: -1.500 local terms energy: -463.007214 where: bonds (distance) C4'-P energy: -90.208 bonds (distance) P-C4' energy: -94.174 flat angles C4'-P-C4' energy: -102.868 flat angles P-C4'-P energy: -69.259 tors. eta vs tors. theta energy: -106.498 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: 3 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1204.246985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.246985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.246985 (E_RNA) where: Base-Base interactions energy: -804.829 where: short stacking energy: -354.330 Base-Backbone interact. energy: -0.038 local terms energy: -399.379390 where: bonds (distance) C4'-P energy: -100.779 bonds (distance) P-C4' energy: -77.068 flat angles C4'-P-C4' energy: -98.782 flat angles P-C4'-P energy: -46.511 tors. eta vs tors. theta energy: -76.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1101.761804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.761804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.761804 (E_RNA) where: Base-Base interactions energy: -693.780 where: short stacking energy: -321.194 Base-Backbone interact. energy: -3.000 local terms energy: -404.981563 where: bonds (distance) C4'-P energy: -91.468 bonds (distance) P-C4' energy: -87.494 flat angles C4'-P-C4' energy: -95.833 flat angles P-C4'-P energy: -45.658 tors. eta vs tors. theta energy: -84.528 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: 10 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -978.216680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.216680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.216680 (E_RNA) where: Base-Base interactions energy: -594.495 where: short stacking energy: -279.837 Base-Backbone interact. energy: -0.211 local terms energy: -383.509869 where: bonds (distance) C4'-P energy: -86.969 bonds (distance) P-C4' energy: -81.509 flat angles C4'-P-C4' energy: -94.039 flat angles P-C4'-P energy: -51.001 tors. eta vs tors. theta energy: -69.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -792.099512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.099512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.099512 (E_RNA) where: Base-Base interactions energy: -429.630 where: short stacking energy: -239.981 Base-Backbone interact. energy: -0.116 local terms energy: -362.352634 where: bonds (distance) C4'-P energy: -91.181 bonds (distance) P-C4' energy: -77.243 flat angles C4'-P-C4' energy: -72.920 flat angles P-C4'-P energy: -70.185 tors. eta vs tors. theta energy: -50.823 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: 269 Temperature: 1.250000 Total energy: -628.959072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.959072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.959072 (E_RNA) where: Base-Base interactions energy: -366.786 where: short stacking energy: -189.876 Base-Backbone interact. energy: 4.840 local terms energy: -267.013286 where: bonds (distance) C4'-P energy: -76.223 bonds (distance) P-C4' energy: -85.688 flat angles C4'-P-C4' energy: -66.774 flat angles P-C4'-P energy: -31.696 tors. eta vs tors. theta energy: -6.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -651.255374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.255374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.255374 (E_RNA) where: Base-Base interactions energy: -360.788 where: short stacking energy: -201.126 Base-Backbone interact. energy: 0.291 local terms energy: -290.758098 where: bonds (distance) C4'-P energy: -83.445 bonds (distance) P-C4' energy: -87.669 flat angles C4'-P-C4' energy: -64.980 flat angles P-C4'-P energy: -43.188 tors. eta vs tors. theta energy: -11.476 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: 1 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -513.480869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.480869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.480869 (E_RNA) where: Base-Base interactions energy: -260.876 where: short stacking energy: -139.930 Base-Backbone interact. energy: -0.214 local terms energy: -252.390768 where: bonds (distance) C4'-P energy: -77.736 bonds (distance) P-C4' energy: -82.499 flat angles C4'-P-C4' energy: -68.468 flat angles P-C4'-P energy: -41.741 tors. eta vs tors. theta energy: 18.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1536.512986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.512986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.512986 (E_RNA) where: Base-Base interactions energy: -1028.486 where: short stacking energy: -473.424 Base-Backbone interact. energy: -4.151 local terms energy: -503.876425 where: bonds (distance) C4'-P energy: -86.805 bonds (distance) P-C4' energy: -101.899 flat angles C4'-P-C4' energy: -103.728 flat angles P-C4'-P energy: -71.946 tors. eta vs tors. theta energy: -139.499 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: 2, replica: 9 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1439.118284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.118284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.118284 (E_RNA) where: Base-Base interactions energy: -953.384 where: short stacking energy: -427.975 Base-Backbone interact. energy: -3.814 local terms energy: -481.920285 where: bonds (distance) C4'-P energy: -100.521 bonds (distance) P-C4' energy: -88.399 flat angles C4'-P-C4' energy: -105.607 flat angles P-C4'-P energy: -65.164 tors. eta vs tors. theta energy: -122.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1314.886258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.886258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.886258 (E_RNA) where: Base-Base interactions energy: -851.944 where: short stacking energy: -387.326 Base-Backbone interact. energy: -3.629 local terms energy: -459.313238 where: bonds (distance) C4'-P energy: -92.185 bonds (distance) P-C4' energy: -92.132 flat angles C4'-P-C4' energy: -107.584 flat angles P-C4'-P energy: -59.644 tors. eta vs tors. theta energy: -107.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1169.660806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.660806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.660806 (E_RNA) where: Base-Base interactions energy: -741.299 where: short stacking energy: -334.569 Base-Backbone interact. energy: 1.109 local terms energy: -429.470098 where: bonds (distance) C4'-P energy: -88.195 bonds (distance) P-C4' energy: -92.387 flat angles C4'-P-C4' energy: -95.689 flat angles P-C4'-P energy: -64.370 tors. eta vs tors. theta energy: -88.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -1112.481921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.481921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.481921 (E_RNA) where: Base-Base interactions energy: -701.791 where: short stacking energy: -335.874 Base-Backbone interact. energy: -1.767 local terms energy: -408.923133 where: bonds (distance) C4'-P energy: -88.363 bonds (distance) P-C4' energy: -91.308 flat angles C4'-P-C4' energy: -96.403 flat angles P-C4'-P energy: -54.776 tors. eta vs tors. theta energy: -78.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -951.048980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.048980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.048980 (E_RNA) where: Base-Base interactions energy: -580.485 where: short stacking energy: -273.862 Base-Backbone interact. energy: 0.928 local terms energy: -371.491783 where: bonds (distance) C4'-P energy: -83.741 bonds (distance) P-C4' energy: -97.863 flat angles C4'-P-C4' energy: -96.944 flat angles P-C4'-P energy: -37.704 tors. eta vs tors. theta energy: -55.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -734.394152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.394152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.394152 (E_RNA) where: Base-Base interactions energy: -421.125 where: short stacking energy: -232.622 Base-Backbone interact. energy: 2.268 local terms energy: -315.537260 where: bonds (distance) C4'-P energy: -75.123 bonds (distance) P-C4' energy: -89.127 flat angles C4'-P-C4' energy: -78.233 flat angles P-C4'-P energy: -42.241 tors. eta vs tors. theta energy: -30.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -673.431926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.431926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.431926 (E_RNA) where: Base-Base interactions energy: -373.228 where: short stacking energy: -190.309 Base-Backbone interact. energy: 9.290 local terms energy: -309.493941 where: bonds (distance) C4'-P energy: -92.053 bonds (distance) P-C4' energy: -86.622 flat angles C4'-P-C4' energy: -61.639 flat angles P-C4'-P energy: -41.108 tors. eta vs tors. theta energy: -28.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -644.116754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.116754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.116754 (E_RNA) where: Base-Base interactions energy: -356.064 where: short stacking energy: -183.763 Base-Backbone interact. energy: -0.277 local terms energy: -287.776292 where: bonds (distance) C4'-P energy: -88.592 bonds (distance) P-C4' energy: -76.512 flat angles C4'-P-C4' energy: -77.506 flat angles P-C4'-P energy: -42.178 tors. eta vs tors. theta energy: -2.989 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: 1 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -540.867532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.867532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.867532 (E_RNA) where: Base-Base interactions energy: -255.301 where: short stacking energy: -145.964 Base-Backbone interact. energy: -0.880 local terms energy: -284.686351 where: bonds (distance) C4'-P energy: -77.405 bonds (distance) P-C4' energy: -96.347 flat angles C4'-P-C4' energy: -58.160 flat angles P-C4'-P energy: -57.281 tors. eta vs tors. theta energy: 4.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1542.883870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.883870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.883870 (E_RNA) where: Base-Base interactions energy: -1038.733 where: short stacking energy: -482.269 Base-Backbone interact. energy: -3.424 local terms energy: -500.726438 where: bonds (distance) C4'-P energy: -90.002 bonds (distance) P-C4' energy: -84.039 flat angles C4'-P-C4' energy: -105.184 flat angles P-C4'-P energy: -76.275 tors. eta vs tors. theta energy: -145.226 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: 9 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1418.857325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.857325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.857325 (E_RNA) where: Base-Base interactions energy: -946.669 where: short stacking energy: -426.900 Base-Backbone interact. energy: -0.585 local terms energy: -471.603266 where: bonds (distance) C4'-P energy: -91.548 bonds (distance) P-C4' energy: -93.546 flat angles C4'-P-C4' energy: -101.134 flat angles P-C4'-P energy: -65.619 tors. eta vs tors. theta energy: -119.756 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: 2 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1272.922327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.922327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.922327 (E_RNA) where: Base-Base interactions energy: -849.734 where: short stacking energy: -372.277 Base-Backbone interact. energy: 1.201 local terms energy: -424.389007 where: bonds (distance) C4'-P energy: -79.269 bonds (distance) P-C4' energy: -81.068 flat angles C4'-P-C4' energy: -95.540 flat angles P-C4'-P energy: -66.204 tors. eta vs tors. theta energy: -102.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1196.869103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.869103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.869103 (E_RNA) where: Base-Base interactions energy: -762.616 where: short stacking energy: -357.676 Base-Backbone interact. energy: -2.424 local terms energy: -431.828458 where: bonds (distance) C4'-P energy: -96.370 bonds (distance) P-C4' energy: -91.312 flat angles C4'-P-C4' energy: -88.979 flat angles P-C4'-P energy: -64.437 tors. eta vs tors. theta energy: -90.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -1146.735761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.735761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.735761 (E_RNA) where: Base-Base interactions energy: -723.078 where: short stacking energy: -331.384 Base-Backbone interact. energy: 1.323 local terms energy: -424.980953 where: bonds (distance) C4'-P energy: -86.670 bonds (distance) P-C4' energy: -87.801 flat angles C4'-P-C4' energy: -98.353 flat angles P-C4'-P energy: -59.348 tors. eta vs tors. theta energy: -92.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -947.215303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.215303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.215303 (E_RNA) where: Base-Base interactions energy: -589.576 where: short stacking energy: -290.283 Base-Backbone interact. energy: -1.431 local terms energy: -356.208685 where: bonds (distance) C4'-P energy: -81.968 bonds (distance) P-C4' energy: -82.038 flat angles C4'-P-C4' energy: -78.051 flat angles P-C4'-P energy: -51.676 tors. eta vs tors. theta energy: -62.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -689.889042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.889042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.889042 (E_RNA) where: Base-Base interactions energy: -360.596 where: short stacking energy: -195.444 Base-Backbone interact. energy: 0.843 local terms energy: -330.135364 where: bonds (distance) C4'-P energy: -87.844 bonds (distance) P-C4' energy: -86.353 flat angles C4'-P-C4' energy: -83.866 flat angles P-C4'-P energy: -53.419 tors. eta vs tors. theta energy: -18.653 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: 8 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -662.923344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.923344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.923344 (E_RNA) where: Base-Base interactions energy: -359.518 where: short stacking energy: -189.569 Base-Backbone interact. energy: 6.283 local terms energy: -309.687858 where: bonds (distance) C4'-P energy: -88.722 bonds (distance) P-C4' energy: -88.919 flat angles C4'-P-C4' energy: -70.637 flat angles P-C4'-P energy: -47.046 tors. eta vs tors. theta energy: -14.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -615.291737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.291737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.291737 (E_RNA) where: Base-Base interactions energy: -325.468 where: short stacking energy: -171.960 Base-Backbone interact. energy: -2.409 local terms energy: -287.414616 where: bonds (distance) C4'-P energy: -73.480 bonds (distance) P-C4' energy: -75.685 flat angles C4'-P-C4' energy: -78.674 flat angles P-C4'-P energy: -38.268 tors. eta vs tors. theta energy: -21.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -517.838093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.838093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.838093 (E_RNA) where: Base-Base interactions energy: -247.151 where: short stacking energy: -124.853 Base-Backbone interact. energy: 5.437 local terms energy: -276.123773 where: bonds (distance) C4'-P energy: -81.212 bonds (distance) P-C4' energy: -92.212 flat angles C4'-P-C4' energy: -61.954 flat angles P-C4'-P energy: -40.459 tors. eta vs tors. theta energy: -0.287 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: 5 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1527.093697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.093697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.093697 (E_RNA) where: Base-Base interactions energy: -1018.430 where: short stacking energy: -465.887 Base-Backbone interact. energy: -2.111 local terms energy: -506.551983 where: bonds (distance) C4'-P energy: -91.348 bonds (distance) P-C4' energy: -101.986 flat angles C4'-P-C4' energy: -110.707 flat angles P-C4'-P energy: -68.446 tors. eta vs tors. theta energy: -134.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1421.632300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.632300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.632300 (E_RNA) where: Base-Base interactions energy: -922.654 where: short stacking energy: -394.482 Base-Backbone interact. energy: -2.951 local terms energy: -496.026919 where: bonds (distance) C4'-P energy: -103.115 bonds (distance) P-C4' energy: -100.520 flat angles C4'-P-C4' energy: -102.214 flat angles P-C4'-P energy: -79.237 tors. eta vs tors. theta energy: -110.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1302.017320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.017320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.017320 (E_RNA) where: Base-Base interactions energy: -850.218 where: short stacking energy: -377.911 Base-Backbone interact. energy: -1.811 local terms energy: -449.988879 where: bonds (distance) C4'-P energy: -81.929 bonds (distance) P-C4' energy: -87.035 flat angles C4'-P-C4' energy: -95.765 flat angles P-C4'-P energy: -75.809 tors. eta vs tors. theta energy: -109.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1193.878845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.878845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.878845 (E_RNA) where: Base-Base interactions energy: -757.296 where: short stacking energy: -364.954 Base-Backbone interact. energy: -1.887 local terms energy: -434.695294 where: bonds (distance) C4'-P energy: -86.765 bonds (distance) P-C4' energy: -91.112 flat angles C4'-P-C4' energy: -104.684 flat angles P-C4'-P energy: -60.445 tors. eta vs tors. theta energy: -91.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1119.182445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.182445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.182445 (E_RNA) where: Base-Base interactions energy: -697.822 where: short stacking energy: -323.664 Base-Backbone interact. energy: 0.747 local terms energy: -422.106845 where: bonds (distance) C4'-P energy: -85.267 bonds (distance) P-C4' energy: -82.173 flat angles C4'-P-C4' energy: -95.288 flat angles P-C4'-P energy: -72.606 tors. eta vs tors. theta energy: -86.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -946.125075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.125075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.125075 (E_RNA) where: Base-Base interactions energy: -573.491 where: short stacking energy: -286.034 Base-Backbone interact. energy: -1.603 local terms energy: -371.031117 where: bonds (distance) C4'-P energy: -75.503 bonds (distance) P-C4' energy: -81.875 flat angles C4'-P-C4' energy: -88.119 flat angles P-C4'-P energy: -56.948 tors. eta vs tors. theta energy: -68.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -706.526648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.526648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.526648 (E_RNA) where: Base-Base interactions energy: -402.341 where: short stacking energy: -236.087 Base-Backbone interact. energy: 2.513 local terms energy: -306.699038 where: bonds (distance) C4'-P energy: -86.914 bonds (distance) P-C4' energy: -93.807 flat angles C4'-P-C4' energy: -78.057 flat angles P-C4'-P energy: -29.939 tors. eta vs tors. theta energy: -17.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -676.631934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.631934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.631934 (E_RNA) where: Base-Base interactions energy: -360.371 where: short stacking energy: -177.087 Base-Backbone interact. energy: -1.153 local terms energy: -315.108566 where: bonds (distance) C4'-P energy: -78.784 bonds (distance) P-C4' energy: -89.501 flat angles C4'-P-C4' energy: -81.682 flat angles P-C4'-P energy: -44.953 tors. eta vs tors. theta energy: -20.189 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: 9, replica: 4 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -619.690375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.690375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.690375 (E_RNA) where: Base-Base interactions energy: -336.907 where: short stacking energy: -171.344 Base-Backbone interact. energy: 3.607 local terms energy: -286.389914 where: bonds (distance) C4'-P energy: -81.800 bonds (distance) P-C4' energy: -71.022 flat angles C4'-P-C4' energy: -74.120 flat angles P-C4'-P energy: -51.821 tors. eta vs tors. theta energy: -7.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -523.156883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.156883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.156883 (E_RNA) where: Base-Base interactions energy: -260.771 where: short stacking energy: -144.576 Base-Backbone interact. energy: -1.846 local terms energy: -260.538995 where: bonds (distance) C4'-P energy: -75.823 bonds (distance) P-C4' energy: -78.374 flat angles C4'-P-C4' energy: -69.646 flat angles P-C4'-P energy: -35.551 tors. eta vs tors. theta energy: -1.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1540.398267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.398267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.398267 (E_RNA) where: Base-Base interactions energy: -1044.952 where: short stacking energy: -466.823 Base-Backbone interact. energy: 0.549 local terms energy: -495.994394 where: bonds (distance) C4'-P energy: -93.527 bonds (distance) P-C4' energy: -91.266 flat angles C4'-P-C4' energy: -101.491 flat angles P-C4'-P energy: -70.691 tors. eta vs tors. theta energy: -139.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1429.829276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.829276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.829276 (E_RNA) where: Base-Base interactions energy: -961.410 where: short stacking energy: -435.310 Base-Backbone interact. energy: -1.629 local terms energy: -466.790244 where: bonds (distance) C4'-P energy: -80.312 bonds (distance) P-C4' energy: -93.334 flat angles C4'-P-C4' energy: -96.667 flat angles P-C4'-P energy: -65.694 tors. eta vs tors. theta energy: -130.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1319.454660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.454660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.454660 (E_RNA) where: Base-Base interactions energy: -851.778 where: short stacking energy: -409.331 Base-Backbone interact. energy: 1.973 local terms energy: -469.650157 where: bonds (distance) C4'-P energy: -90.396 bonds (distance) P-C4' energy: -84.496 flat angles C4'-P-C4' energy: -104.131 flat angles P-C4'-P energy: -68.792 tors. eta vs tors. theta energy: -121.835 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: 4, replica: 3 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1175.940203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.940203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.940203 (E_RNA) where: Base-Base interactions energy: -748.236 where: short stacking energy: -357.046 Base-Backbone interact. energy: -0.137 local terms energy: -427.566362 where: bonds (distance) C4'-P energy: -83.979 bonds (distance) P-C4' energy: -91.227 flat angles C4'-P-C4' energy: -95.978 flat angles P-C4'-P energy: -73.592 tors. eta vs tors. theta energy: -82.791 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: 7 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1141.080373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.080373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.080373 (E_RNA) where: Base-Base interactions energy: -716.014 where: short stacking energy: -339.106 Base-Backbone interact. energy: -1.798 local terms energy: -423.267745 where: bonds (distance) C4'-P energy: -89.946 bonds (distance) P-C4' energy: -98.873 flat angles C4'-P-C4' energy: -86.817 flat angles P-C4'-P energy: -62.442 tors. eta vs tors. theta energy: -85.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -966.269379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.269379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.269379 (E_RNA) where: Base-Base interactions energy: -598.330 where: short stacking energy: -294.171 Base-Backbone interact. energy: -0.424 local terms energy: -367.515104 where: bonds (distance) C4'-P energy: -100.954 bonds (distance) P-C4' energy: -66.932 flat angles C4'-P-C4' energy: -75.264 flat angles P-C4'-P energy: -46.856 tors. eta vs tors. theta energy: -77.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -771.287519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.287519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.287519 (E_RNA) where: Base-Base interactions energy: -448.620 where: short stacking energy: -226.322 Base-Backbone interact. energy: 4.078 local terms energy: -326.746006 where: bonds (distance) C4'-P energy: -86.273 bonds (distance) P-C4' energy: -88.860 flat angles C4'-P-C4' energy: -91.155 flat angles P-C4'-P energy: -40.607 tors. eta vs tors. theta energy: -19.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -679.538928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.538928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.538928 (E_RNA) where: Base-Base interactions energy: -360.756 where: short stacking energy: -189.095 Base-Backbone interact. energy: 0.014 local terms energy: -318.796476 where: bonds (distance) C4'-P energy: -71.273 bonds (distance) P-C4' energy: -92.759 flat angles C4'-P-C4' energy: -89.181 flat angles P-C4'-P energy: -48.104 tors. eta vs tors. theta energy: -17.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -651.446420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.446420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.446420 (E_RNA) where: Base-Base interactions energy: -347.746 where: short stacking energy: -180.173 Base-Backbone interact. energy: -0.726 local terms energy: -302.974668 where: bonds (distance) C4'-P energy: -75.452 bonds (distance) P-C4' energy: -79.402 flat angles C4'-P-C4' energy: -82.296 flat angles P-C4'-P energy: -44.413 tors. eta vs tors. theta energy: -21.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -511.206839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.206839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.206839 (E_RNA) where: Base-Base interactions energy: -260.668 where: short stacking energy: -136.869 Base-Backbone interact. energy: -0.935 local terms energy: -249.604006 where: bonds (distance) C4'-P energy: -72.466 bonds (distance) P-C4' energy: -66.166 flat angles C4'-P-C4' energy: -65.112 flat angles P-C4'-P energy: -42.393 tors. eta vs tors. theta energy: -3.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1524.789290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.789290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.789290 (E_RNA) where: Base-Base interactions energy: -1010.868 where: short stacking energy: -481.162 Base-Backbone interact. energy: -3.593 local terms energy: -510.328268 where: bonds (distance) C4'-P energy: -99.707 bonds (distance) P-C4' energy: -93.880 flat angles C4'-P-C4' energy: -102.823 flat angles P-C4'-P energy: -71.915 tors. eta vs tors. theta energy: -142.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -1445.802326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.802326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.802326 (E_RNA) where: Base-Base interactions energy: -947.980 where: short stacking energy: -435.427 Base-Backbone interact. energy: -3.463 local terms energy: -494.359588 where: bonds (distance) C4'-P energy: -96.180 bonds (distance) P-C4' energy: -102.210 flat angles C4'-P-C4' energy: -106.332 flat angles P-C4'-P energy: -64.293 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: 3, replica: 2 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1291.430397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.430397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.430397 (E_RNA) where: Base-Base interactions energy: -842.808 where: short stacking energy: -361.497 Base-Backbone interact. energy: -1.154 local terms energy: -447.468720 where: bonds (distance) C4'-P energy: -93.337 bonds (distance) P-C4' energy: -93.403 flat angles C4'-P-C4' energy: -92.926 flat angles P-C4'-P energy: -62.881 tors. eta vs tors. theta energy: -104.923 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: 3 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1177.201258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.201258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.201258 (E_RNA) where: Base-Base interactions energy: -770.634 where: short stacking energy: -362.625 Base-Backbone interact. energy: -1.177 local terms energy: -405.390557 where: bonds (distance) C4'-P energy: -78.280 bonds (distance) P-C4' energy: -89.721 flat angles C4'-P-C4' energy: -94.990 flat angles P-C4'-P energy: -56.760 tors. eta vs tors. theta energy: -85.639 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: 7 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1094.584994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.584994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.584994 (E_RNA) where: Base-Base interactions energy: -689.561 where: short stacking energy: -312.261 Base-Backbone interact. energy: 1.618 local terms energy: -406.642196 where: bonds (distance) C4'-P energy: -95.894 bonds (distance) P-C4' energy: -88.561 flat angles C4'-P-C4' energy: -83.198 flat angles P-C4'-P energy: -61.187 tors. eta vs tors. theta energy: -77.801 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: 10 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -986.922987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.922987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.922987 (E_RNA) where: Base-Base interactions energy: -583.145 where: short stacking energy: -265.043 Base-Backbone interact. energy: 0.540 local terms energy: -404.318031 where: bonds (distance) C4'-P energy: -85.397 bonds (distance) P-C4' energy: -93.087 flat angles C4'-P-C4' energy: -93.129 flat angles P-C4'-P energy: -70.610 tors. eta vs tors. theta energy: -62.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -771.599616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.599616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.599616 (E_RNA) where: Base-Base interactions energy: -416.855 where: short stacking energy: -225.155 Base-Backbone interact. energy: -1.769 local terms energy: -352.975716 where: bonds (distance) C4'-P energy: -94.667 bonds (distance) P-C4' energy: -88.209 flat angles C4'-P-C4' energy: -82.408 flat angles P-C4'-P energy: -44.885 tors. eta vs tors. theta energy: -42.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -706.264939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.264939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.264939 (E_RNA) where: Base-Base interactions energy: -414.306 where: short stacking energy: -182.392 Base-Backbone interact. energy: 1.319 local terms energy: -293.277585 where: bonds (distance) C4'-P energy: -78.417 bonds (distance) P-C4' energy: -67.905 flat angles C4'-P-C4' energy: -82.265 flat angles P-C4'-P energy: -50.631 tors. eta vs tors. theta energy: -14.059 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: 9, replica: 4 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -607.143942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.143942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.143942 (E_RNA) where: Base-Base interactions energy: -320.239 where: short stacking energy: -162.579 Base-Backbone interact. energy: 1.503 local terms energy: -288.407066 where: bonds (distance) C4'-P energy: -78.873 bonds (distance) P-C4' energy: -79.552 flat angles C4'-P-C4' energy: -77.838 flat angles P-C4'-P energy: -39.528 tors. eta vs tors. theta energy: -12.617 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: 1 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -543.792282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.792282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.792282 (E_RNA) where: Base-Base interactions energy: -274.026 where: short stacking energy: -134.218 Base-Backbone interact. energy: 4.131 local terms energy: -273.896817 where: bonds (distance) C4'-P energy: -71.997 bonds (distance) P-C4' energy: -83.897 flat angles C4'-P-C4' energy: -72.583 flat angles P-C4'-P energy: -41.175 tors. eta vs tors. theta energy: -4.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1514.398664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.398664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.398664 (E_RNA) where: Base-Base interactions energy: -1006.146 where: short stacking energy: -458.228 Base-Backbone interact. energy: -1.400 local terms energy: -506.852804 where: bonds (distance) C4'-P energy: -90.020 bonds (distance) P-C4' energy: -92.666 flat angles C4'-P-C4' energy: -113.529 flat angles P-C4'-P energy: -67.747 tors. eta vs tors. theta energy: -142.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1451.036373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.036373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.036373 (E_RNA) where: Base-Base interactions energy: -977.816 where: short stacking energy: -452.729 Base-Backbone interact. energy: 1.038 local terms energy: -474.258532 where: bonds (distance) C4'-P energy: -76.818 bonds (distance) P-C4' energy: -86.651 flat angles C4'-P-C4' energy: -113.478 flat angles P-C4'-P energy: -66.000 tors. eta vs tors. theta energy: -131.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1320.603758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.603758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.603758 (E_RNA) where: Base-Base interactions energy: -845.699 where: short stacking energy: -386.153 Base-Backbone interact. energy: -0.397 local terms energy: -474.508360 where: bonds (distance) C4'-P energy: -87.234 bonds (distance) P-C4' energy: -96.224 flat angles C4'-P-C4' energy: -104.670 flat angles P-C4'-P energy: -71.907 tors. eta vs tors. theta energy: -114.472 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: 3 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1194.734688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.734688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.734688 (E_RNA) where: Base-Base interactions energy: -769.369 where: short stacking energy: -364.696 Base-Backbone interact. energy: -0.800 local terms energy: -424.565711 where: bonds (distance) C4'-P energy: -86.740 bonds (distance) P-C4' energy: -87.940 flat angles C4'-P-C4' energy: -94.274 flat angles P-C4'-P energy: -60.749 tors. eta vs tors. theta energy: -94.862 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: 7 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1191.068472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.068472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.068472 (E_RNA) where: Base-Base interactions energy: -772.832 where: short stacking energy: -353.216 Base-Backbone interact. energy: 0.153 local terms energy: -418.389470 where: bonds (distance) C4'-P energy: -93.753 bonds (distance) P-C4' energy: -84.523 flat angles C4'-P-C4' energy: -90.619 flat angles P-C4'-P energy: -60.032 tors. eta vs tors. theta energy: -89.462 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: 10 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -980.449209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.449209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.449209 (E_RNA) where: Base-Base interactions energy: -645.127 where: short stacking energy: -288.257 Base-Backbone interact. energy: -1.878 local terms energy: -333.443615 where: bonds (distance) C4'-P energy: -57.337 bonds (distance) P-C4' energy: -75.943 flat angles C4'-P-C4' energy: -97.479 flat angles P-C4'-P energy: -45.637 tors. eta vs tors. theta energy: -57.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -774.859776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.859776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.859776 (E_RNA) where: Base-Base interactions energy: -460.323 where: short stacking energy: -250.897 Base-Backbone interact. energy: 3.196 local terms energy: -317.733193 where: bonds (distance) C4'-P energy: -77.517 bonds (distance) P-C4' energy: -69.357 flat angles C4'-P-C4' energy: -90.570 flat angles P-C4'-P energy: -39.539 tors. eta vs tors. theta energy: -40.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -680.747465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.747465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.747465 (E_RNA) where: Base-Base interactions energy: -371.518 where: short stacking energy: -197.790 Base-Backbone interact. energy: 3.153 local terms energy: -312.383242 where: bonds (distance) C4'-P energy: -84.511 bonds (distance) P-C4' energy: -81.748 flat angles C4'-P-C4' energy: -81.672 flat angles P-C4'-P energy: -53.466 tors. eta vs tors. theta energy: -10.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -671.453180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.453180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.453180 (E_RNA) where: Base-Base interactions energy: -367.768 where: short stacking energy: -167.762 Base-Backbone interact. energy: -2.808 local terms energy: -300.877236 where: bonds (distance) C4'-P energy: -57.142 bonds (distance) P-C4' energy: -87.702 flat angles C4'-P-C4' energy: -78.577 flat angles P-C4'-P energy: -55.702 tors. eta vs tors. theta energy: -21.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -601.401968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.401968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.401968 (E_RNA) where: Base-Base interactions energy: -326.271 where: short stacking energy: -154.654 Base-Backbone interact. energy: -3.281 local terms energy: -271.850467 where: bonds (distance) C4'-P energy: -82.111 bonds (distance) P-C4' energy: -89.818 flat angles C4'-P-C4' energy: -67.890 flat angles P-C4'-P energy: -21.693 tors. eta vs tors. theta energy: -10.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1510.682217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.682217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.682217 (E_RNA) where: Base-Base interactions energy: -1021.428 where: short stacking energy: -456.567 Base-Backbone interact. energy: 0.115 local terms energy: -489.368714 where: bonds (distance) C4'-P energy: -95.988 bonds (distance) P-C4' energy: -95.105 flat angles C4'-P-C4' energy: -94.734 flat angles P-C4'-P energy: -66.588 tors. eta vs tors. theta energy: -136.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1456.505151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.505151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.505151 (E_RNA) where: Base-Base interactions energy: -964.048 where: short stacking energy: -442.011 Base-Backbone interact. energy: -3.222 local terms energy: -489.235562 where: bonds (distance) C4'-P energy: -92.953 bonds (distance) P-C4' energy: -98.002 flat angles C4'-P-C4' energy: -100.440 flat angles P-C4'-P energy: -72.537 tors. eta vs tors. theta energy: -125.304 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: 276 Temperature: 1.000000 Total energy: -1310.022400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.022400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.022400 (E_RNA) where: Base-Base interactions energy: -854.005 where: short stacking energy: -387.334 Base-Backbone interact. energy: -0.929 local terms energy: -455.089102 where: bonds (distance) C4'-P energy: -81.462 bonds (distance) P-C4' energy: -92.635 flat angles C4'-P-C4' energy: -101.359 flat angles P-C4'-P energy: -63.179 tors. eta vs tors. theta energy: -116.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1139.475888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.475888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.475888 (E_RNA) where: Base-Base interactions energy: -729.532 where: short stacking energy: -355.044 Base-Backbone interact. energy: 0.465 local terms energy: -410.408734 where: bonds (distance) C4'-P energy: -85.288 bonds (distance) P-C4' energy: -85.428 flat angles C4'-P-C4' energy: -96.223 flat angles P-C4'-P energy: -59.924 tors. eta vs tors. theta energy: -83.546 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: 7 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -1174.115797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.115797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.115797 (E_RNA) where: Base-Base interactions energy: -753.582 where: short stacking energy: -362.364 Base-Backbone interact. energy: -0.861 local terms energy: -419.672991 where: bonds (distance) C4'-P energy: -85.725 bonds (distance) P-C4' energy: -84.855 flat angles C4'-P-C4' energy: -97.187 flat angles P-C4'-P energy: -60.626 tors. eta vs tors. theta energy: -91.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -975.174398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.174398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.174398 (E_RNA) where: Base-Base interactions energy: -603.041 where: short stacking energy: -301.159 Base-Backbone interact. energy: -3.508 local terms energy: -368.625400 where: bonds (distance) C4'-P energy: -67.095 bonds (distance) P-C4' energy: -97.246 flat angles C4'-P-C4' energy: -89.661 flat angles P-C4'-P energy: -46.998 tors. eta vs tors. theta energy: -67.626 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: 276 Temperature: 1.200000 Total energy: -748.556595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.556595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.556595 (E_RNA) where: Base-Base interactions energy: -419.321 where: short stacking energy: -209.738 Base-Backbone interact. energy: 0.020 local terms energy: -329.255309 where: bonds (distance) C4'-P energy: -85.734 bonds (distance) P-C4' energy: -83.769 flat angles C4'-P-C4' energy: -79.395 flat angles P-C4'-P energy: -48.334 tors. eta vs tors. theta energy: -32.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -678.488998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.488998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.488998 (E_RNA) where: Base-Base interactions energy: -362.552 where: short stacking energy: -195.395 Base-Backbone interact. energy: 1.627 local terms energy: -317.563798 where: bonds (distance) C4'-P energy: -82.069 bonds (distance) P-C4' energy: -98.878 flat angles C4'-P-C4' energy: -68.965 flat angles P-C4'-P energy: -44.527 tors. eta vs tors. theta energy: -23.126 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: 8 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -644.863289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.863289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.863289 (E_RNA) where: Base-Base interactions energy: -351.445 where: short stacking energy: -178.831 Base-Backbone interact. energy: -1.297 local terms energy: -292.121111 where: bonds (distance) C4'-P energy: -88.332 bonds (distance) P-C4' energy: -83.126 flat angles C4'-P-C4' energy: -77.432 flat angles P-C4'-P energy: -40.314 tors. eta vs tors. theta energy: -2.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -557.486491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.486491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.486491 (E_RNA) where: Base-Base interactions energy: -309.393 where: short stacking energy: -151.141 Base-Backbone interact. energy: 9.897 local terms energy: -257.990607 where: bonds (distance) C4'-P energy: -64.653 bonds (distance) P-C4' energy: -78.672 flat angles C4'-P-C4' energy: -66.477 flat angles P-C4'-P energy: -49.486 tors. eta vs tors. theta energy: 1.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1494.019250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.019250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.019250 (E_RNA) where: Base-Base interactions energy: -1000.684 where: short stacking energy: -448.059 Base-Backbone interact. energy: -1.866 local terms energy: -491.469929 where: bonds (distance) C4'-P energy: -86.330 bonds (distance) P-C4' energy: -95.426 flat angles C4'-P-C4' energy: -97.524 flat angles P-C4'-P energy: -76.045 tors. eta vs tors. theta energy: -136.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1434.096287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.096287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.096287 (E_RNA) where: Base-Base interactions energy: -968.755 where: short stacking energy: -427.284 Base-Backbone interact. energy: -2.868 local terms energy: -462.473741 where: bonds (distance) C4'-P energy: -74.963 bonds (distance) P-C4' energy: -102.446 flat angles C4'-P-C4' energy: -99.328 flat angles P-C4'-P energy: -61.700 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: 2 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -1328.777341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.777341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.777341 (E_RNA) where: Base-Base interactions energy: -864.755 where: short stacking energy: -387.917 Base-Backbone interact. energy: -2.019 local terms energy: -462.003343 where: bonds (distance) C4'-P energy: -90.707 bonds (distance) P-C4' energy: -96.801 flat angles C4'-P-C4' energy: -97.515 flat angles P-C4'-P energy: -72.182 tors. eta vs tors. theta energy: -104.799 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: 7 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1203.632306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.632306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.632306 (E_RNA) where: Base-Base interactions energy: -764.571 where: short stacking energy: -353.784 Base-Backbone interact. energy: 0.920 local terms energy: -439.981127 where: bonds (distance) C4'-P energy: -83.865 bonds (distance) P-C4' energy: -95.943 flat angles C4'-P-C4' energy: -108.459 flat angles P-C4'-P energy: -57.204 tors. eta vs tors. theta energy: -94.510 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: 3 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -1079.855362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.855362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.855362 (E_RNA) where: Base-Base interactions energy: -667.458 where: short stacking energy: -310.179 Base-Backbone interact. energy: 1.156 local terms energy: -413.553835 where: bonds (distance) C4'-P energy: -94.229 bonds (distance) P-C4' energy: -84.620 flat angles C4'-P-C4' energy: -84.278 flat angles P-C4'-P energy: -74.576 tors. eta vs tors. theta energy: -75.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -977.454792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.454792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.454792 (E_RNA) where: Base-Base interactions energy: -606.730 where: short stacking energy: -297.452 Base-Backbone interact. energy: 0.321 local terms energy: -371.045692 where: bonds (distance) C4'-P energy: -81.321 bonds (distance) P-C4' energy: -89.515 flat angles C4'-P-C4' energy: -85.754 flat angles P-C4'-P energy: -53.324 tors. eta vs tors. theta energy: -61.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -724.034128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.034128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.034128 (E_RNA) where: Base-Base interactions energy: -400.352 where: short stacking energy: -214.236 Base-Backbone interact. energy: 4.412 local terms energy: -328.094090 where: bonds (distance) C4'-P energy: -92.973 bonds (distance) P-C4' energy: -83.347 flat angles C4'-P-C4' energy: -77.821 flat angles P-C4'-P energy: -50.502 tors. eta vs tors. theta energy: -23.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -740.639006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.639006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.639006 (E_RNA) where: Base-Base interactions energy: -434.073 where: short stacking energy: -213.925 Base-Backbone interact. energy: -0.572 local terms energy: -305.994500 where: bonds (distance) C4'-P energy: -72.657 bonds (distance) P-C4' energy: -90.400 flat angles C4'-P-C4' energy: -74.975 flat angles P-C4'-P energy: -39.502 tors. eta vs tors. theta energy: -28.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -555.520356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.520356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.520356 (E_RNA) where: Base-Base interactions energy: -280.267 where: short stacking energy: -146.432 Base-Backbone interact. energy: -0.732 local terms energy: -274.521315 where: bonds (distance) C4'-P energy: -80.327 bonds (distance) P-C4' energy: -93.675 flat angles C4'-P-C4' energy: -67.243 flat angles P-C4'-P energy: -32.274 tors. eta vs tors. theta energy: -1.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -536.677064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.677064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.677064 (E_RNA) where: Base-Base interactions energy: -267.880 where: short stacking energy: -120.985 Base-Backbone interact. energy: -2.387 local terms energy: -266.409758 where: bonds (distance) C4'-P energy: -68.700 bonds (distance) P-C4' energy: -94.246 flat angles C4'-P-C4' energy: -73.076 flat angles P-C4'-P energy: -44.611 tors. eta vs tors. theta energy: 14.223 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: 5 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1533.225179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.225179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.225179 (E_RNA) where: Base-Base interactions energy: -1025.363 where: short stacking energy: -476.696 Base-Backbone interact. energy: -2.571 local terms energy: -505.290949 where: bonds (distance) C4'-P energy: -82.892 bonds (distance) P-C4' energy: -97.881 flat angles C4'-P-C4' energy: -113.031 flat angles P-C4'-P energy: -78.394 tors. eta vs tors. theta energy: -133.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1468.696525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.696525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.696525 (E_RNA) where: Base-Base interactions energy: -957.173 where: short stacking energy: -441.848 Base-Backbone interact. energy: -2.632 local terms energy: -508.891001 where: bonds (distance) C4'-P energy: -96.490 bonds (distance) P-C4' energy: -104.168 flat angles C4'-P-C4' energy: -106.518 flat angles P-C4'-P energy: -72.067 tors. eta vs tors. theta energy: -129.648 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: 3, replica: 2 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1301.887443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.887443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.887443 (E_RNA) where: Base-Base interactions energy: -847.734 where: short stacking energy: -389.089 Base-Backbone interact. energy: -2.789 local terms energy: -451.364232 where: bonds (distance) C4'-P energy: -94.336 bonds (distance) P-C4' energy: -78.739 flat angles C4'-P-C4' energy: -87.533 flat angles P-C4'-P energy: -77.704 tors. eta vs tors. theta energy: -113.051 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: 7 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1185.649817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.649817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.649817 (E_RNA) where: Base-Base interactions energy: -758.384 where: short stacking energy: -364.908 Base-Backbone interact. energy: 0.767 local terms energy: -428.032840 where: bonds (distance) C4'-P energy: -101.523 bonds (distance) P-C4' energy: -85.328 flat angles C4'-P-C4' energy: -96.986 flat angles P-C4'-P energy: -58.259 tors. eta vs tors. theta energy: -85.936 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: 3 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -1145.118113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.118113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.118113 (E_RNA) where: Base-Base interactions energy: -730.727 where: short stacking energy: -346.124 Base-Backbone interact. energy: -1.578 local terms energy: -412.813535 where: bonds (distance) C4'-P energy: -71.043 bonds (distance) P-C4' energy: -98.409 flat angles C4'-P-C4' energy: -91.006 flat angles P-C4'-P energy: -64.533 tors. eta vs tors. theta energy: -87.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1003.305776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.305776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.305776 (E_RNA) where: Base-Base interactions energy: -616.939 where: short stacking energy: -305.699 Base-Backbone interact. energy: -1.619 local terms energy: -384.746931 where: bonds (distance) C4'-P energy: -87.348 bonds (distance) P-C4' energy: -102.070 flat angles C4'-P-C4' energy: -84.234 flat angles P-C4'-P energy: -49.532 tors. eta vs tors. theta energy: -61.563 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: 6 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -762.423185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.423185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.423185 (E_RNA) where: Base-Base interactions energy: -437.141 where: short stacking energy: -230.835 Base-Backbone interact. energy: -1.572 local terms energy: -323.710035 where: bonds (distance) C4'-P energy: -82.385 bonds (distance) P-C4' energy: -79.050 flat angles C4'-P-C4' energy: -79.896 flat angles P-C4'-P energy: -41.546 tors. eta vs tors. theta energy: -40.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -682.924870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.924870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.924870 (E_RNA) where: Base-Base interactions energy: -381.226 where: short stacking energy: -218.357 Base-Backbone interact. energy: -1.696 local terms energy: -300.003683 where: bonds (distance) C4'-P energy: -71.760 bonds (distance) P-C4' energy: -78.758 flat angles C4'-P-C4' energy: -62.069 flat angles P-C4'-P energy: -57.878 tors. eta vs tors. theta energy: -29.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -561.226642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.226642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.226642 (E_RNA) where: Base-Base interactions energy: -276.278 where: short stacking energy: -160.783 Base-Backbone interact. energy: -0.588 local terms energy: -284.361039 where: bonds (distance) C4'-P energy: -69.739 bonds (distance) P-C4' energy: -104.682 flat angles C4'-P-C4' energy: -66.186 flat angles P-C4'-P energy: -43.040 tors. eta vs tors. theta energy: -0.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -485.276748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.276748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.276748 (E_RNA) where: Base-Base interactions energy: -232.869 where: short stacking energy: -140.397 Base-Backbone interact. energy: 6.798 local terms energy: -259.205924 where: bonds (distance) C4'-P energy: -79.871 bonds (distance) P-C4' energy: -88.387 flat angles C4'-P-C4' energy: -60.416 flat angles P-C4'-P energy: -36.016 tors. eta vs tors. theta energy: 5.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1527.630665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.630665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.630665 (E_RNA) where: Base-Base interactions energy: -1034.387 where: short stacking energy: -467.464 Base-Backbone interact. energy: -1.659 local terms energy: -491.584187 where: bonds (distance) C4'-P energy: -84.284 bonds (distance) P-C4' energy: -95.408 flat angles C4'-P-C4' energy: -110.382 flat angles P-C4'-P energy: -64.263 tors. eta vs tors. theta energy: -137.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1465.952955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.952955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.952955 (E_RNA) where: Base-Base interactions energy: -964.542 where: short stacking energy: -435.073 Base-Backbone interact. energy: 0.259 local terms energy: -501.670285 where: bonds (distance) C4'-P energy: -100.950 bonds (distance) P-C4' energy: -85.223 flat angles C4'-P-C4' energy: -102.140 flat angles P-C4'-P energy: -77.583 tors. eta vs tors. theta energy: -135.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1281.367530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.367530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.367530 (E_RNA) where: Base-Base interactions energy: -838.335 where: short stacking energy: -365.599 Base-Backbone interact. energy: -1.590 local terms energy: -441.442477 where: bonds (distance) C4'-P energy: -91.543 bonds (distance) P-C4' energy: -87.182 flat angles C4'-P-C4' energy: -96.839 flat angles P-C4'-P energy: -66.645 tors. eta vs tors. theta energy: -99.234 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: 7 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1204.329854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.329854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.329854 (E_RNA) where: Base-Base interactions energy: -789.181 where: short stacking energy: -368.175 Base-Backbone interact. energy: -0.792 local terms energy: -414.356772 where: bonds (distance) C4'-P energy: -89.008 bonds (distance) P-C4' energy: -70.622 flat angles C4'-P-C4' energy: -98.608 flat angles P-C4'-P energy: -60.808 tors. eta vs tors. theta energy: -95.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -1125.376685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.376685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.376685 (E_RNA) where: Base-Base interactions energy: -689.250 where: short stacking energy: -322.311 Base-Backbone interact. energy: 0.262 local terms energy: -436.388333 where: bonds (distance) C4'-P energy: -85.660 bonds (distance) P-C4' energy: -93.893 flat angles C4'-P-C4' energy: -106.839 flat angles P-C4'-P energy: -67.827 tors. eta vs tors. theta energy: -82.170 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: 10 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -994.640344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.640344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.640344 (E_RNA) where: Base-Base interactions energy: -598.513 where: short stacking energy: -264.855 Base-Backbone interact. energy: -0.654 local terms energy: -395.473766 where: bonds (distance) C4'-P energy: -86.695 bonds (distance) P-C4' energy: -96.601 flat angles C4'-P-C4' energy: -103.442 flat angles P-C4'-P energy: -42.849 tors. eta vs tors. theta energy: -65.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -809.407736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.407736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.407736 (E_RNA) where: Base-Base interactions energy: -465.620 where: short stacking energy: -226.836 Base-Backbone interact. energy: 1.984 local terms energy: -345.771560 where: bonds (distance) C4'-P energy: -79.584 bonds (distance) P-C4' energy: -86.342 flat angles C4'-P-C4' energy: -82.700 flat angles P-C4'-P energy: -55.736 tors. eta vs tors. theta energy: -41.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -675.157547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.157547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.157547 (E_RNA) where: Base-Base interactions energy: -359.175 where: short stacking energy: -183.673 Base-Backbone interact. energy: 0.183 local terms energy: -316.165564 where: bonds (distance) C4'-P energy: -85.600 bonds (distance) P-C4' energy: -85.271 flat angles C4'-P-C4' energy: -76.560 flat angles P-C4'-P energy: -41.334 tors. eta vs tors. theta energy: -27.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -527.492645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.492645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.492645 (E_RNA) where: Base-Base interactions energy: -270.523 where: short stacking energy: -123.712 Base-Backbone interact. energy: -2.786 local terms energy: -254.183890 where: bonds (distance) C4'-P energy: -73.614 bonds (distance) P-C4' energy: -66.840 flat angles C4'-P-C4' energy: -71.000 flat angles P-C4'-P energy: -51.691 tors. eta vs tors. theta energy: 8.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -494.614757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.614757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.614757 (E_RNA) where: Base-Base interactions energy: -224.992 where: short stacking energy: -145.942 Base-Backbone interact. energy: 4.931 local terms energy: -274.553759 where: bonds (distance) C4'-P energy: -70.393 bonds (distance) P-C4' energy: -74.653 flat angles C4'-P-C4' energy: -70.970 flat angles P-C4'-P energy: -49.781 tors. eta vs tors. theta energy: -8.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1507.487640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.487640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.487640 (E_RNA) where: Base-Base interactions energy: -1011.333 where: short stacking energy: -477.573 Base-Backbone interact. energy: 4.479 local terms energy: -500.633460 where: bonds (distance) C4'-P energy: -98.673 bonds (distance) P-C4' energy: -98.811 flat angles C4'-P-C4' energy: -104.714 flat angles P-C4'-P energy: -71.298 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: 2, replica: 9 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1463.312419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.312419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.312419 (E_RNA) where: Base-Base interactions energy: -972.039 where: short stacking energy: -455.646 Base-Backbone interact. energy: 1.899 local terms energy: -493.172498 where: bonds (distance) C4'-P energy: -93.068 bonds (distance) P-C4' energy: -92.625 flat angles C4'-P-C4' energy: -103.652 flat angles P-C4'-P energy: -72.061 tors. eta vs tors. theta energy: -131.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1312.840933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.840933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.840933 (E_RNA) where: Base-Base interactions energy: -868.864 where: short stacking energy: -386.867 Base-Backbone interact. energy: -1.841 local terms energy: -442.135875 where: bonds (distance) C4'-P energy: -89.407 bonds (distance) P-C4' energy: -86.231 flat angles C4'-P-C4' energy: -94.408 flat angles P-C4'-P energy: -57.465 tors. eta vs tors. theta energy: -114.625 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: 7 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -1168.499176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.499176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.499176 (E_RNA) where: Base-Base interactions energy: -726.841 where: short stacking energy: -330.342 Base-Backbone interact. energy: -0.801 local terms energy: -440.857605 where: bonds (distance) C4'-P energy: -102.141 bonds (distance) P-C4' energy: -90.993 flat angles C4'-P-C4' energy: -97.752 flat angles P-C4'-P energy: -65.712 tors. eta vs tors. theta energy: -84.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -1099.942091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.942091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.942091 (E_RNA) where: Base-Base interactions energy: -688.820 where: short stacking energy: -311.231 Base-Backbone interact. energy: 1.230 local terms energy: -412.351820 where: bonds (distance) C4'-P energy: -86.618 bonds (distance) P-C4' energy: -91.307 flat angles C4'-P-C4' energy: -85.568 flat angles P-C4'-P energy: -69.022 tors. eta vs tors. theta energy: -79.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -951.941827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.941827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.941827 (E_RNA) where: Base-Base interactions energy: -586.573 where: short stacking energy: -277.673 Base-Backbone interact. energy: 2.595 local terms energy: -367.964133 where: bonds (distance) C4'-P energy: -76.894 bonds (distance) P-C4' energy: -91.485 flat angles C4'-P-C4' energy: -88.797 flat angles P-C4'-P energy: -51.753 tors. eta vs tors. theta energy: -59.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -823.168142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.168142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.168142 (E_RNA) where: Base-Base interactions energy: -460.814 where: short stacking energy: -254.342 Base-Backbone interact. energy: -2.745 local terms energy: -359.609842 where: bonds (distance) C4'-P energy: -82.693 bonds (distance) P-C4' energy: -89.635 flat angles C4'-P-C4' energy: -74.701 flat angles P-C4'-P energy: -55.625 tors. eta vs tors. theta energy: -56.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -584.296133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.296133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.296133 (E_RNA) where: Base-Base interactions energy: -302.112 where: short stacking energy: -182.195 Base-Backbone interact. energy: -0.763 local terms energy: -281.421322 where: bonds (distance) C4'-P energy: -75.347 bonds (distance) P-C4' energy: -78.248 flat angles C4'-P-C4' energy: -76.951 flat angles P-C4'-P energy: -35.574 tors. eta vs tors. theta energy: -15.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -503.719681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.719681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.719681 (E_RNA) where: Base-Base interactions energy: -222.860 where: short stacking energy: -138.884 Base-Backbone interact. energy: -4.734 local terms energy: -276.125373 where: bonds (distance) C4'-P energy: -94.648 bonds (distance) P-C4' energy: -71.645 flat angles C4'-P-C4' energy: -73.494 flat angles P-C4'-P energy: -44.774 tors. eta vs tors. theta energy: 8.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -488.201312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.201312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.201312 (E_RNA) where: Base-Base interactions energy: -225.298 where: short stacking energy: -144.210 Base-Backbone interact. energy: 2.360 local terms energy: -265.263947 where: bonds (distance) C4'-P energy: -70.293 bonds (distance) P-C4' energy: -84.560 flat angles C4'-P-C4' energy: -72.504 flat angles P-C4'-P energy: -41.389 tors. eta vs tors. theta energy: 3.483 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: 5 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1491.753272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.753272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.753272 (E_RNA) where: Base-Base interactions energy: -1018.094 where: short stacking energy: -455.359 Base-Backbone interact. energy: -0.012 local terms energy: -473.646849 where: bonds (distance) C4'-P energy: -89.720 bonds (distance) P-C4' energy: -88.774 flat angles C4'-P-C4' energy: -98.618 flat angles P-C4'-P energy: -68.275 tors. eta vs tors. theta energy: -128.259 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: 281 Temperature: 0.950000 Total energy: -1448.855942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.855942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.855942 (E_RNA) where: Base-Base interactions energy: -967.490 where: short stacking energy: -447.549 Base-Backbone interact. energy: -3.389 local terms energy: -477.976235 where: bonds (distance) C4'-P energy: -94.188 bonds (distance) P-C4' energy: -98.318 flat angles C4'-P-C4' energy: -87.745 flat angles P-C4'-P energy: -67.327 tors. eta vs tors. theta energy: -130.399 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: 281 Temperature: 1.000000 Total energy: -1306.752930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.752930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.752930 (E_RNA) where: Base-Base interactions energy: -848.515 where: short stacking energy: -385.794 Base-Backbone interact. energy: -1.574 local terms energy: -456.663668 where: bonds (distance) C4'-P energy: -86.457 bonds (distance) P-C4' energy: -93.170 flat angles C4'-P-C4' energy: -101.458 flat angles P-C4'-P energy: -67.654 tors. eta vs tors. theta energy: -107.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1184.302348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.302348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.302348 (E_RNA) where: Base-Base interactions energy: -758.631 where: short stacking energy: -361.792 Base-Backbone interact. energy: -2.503 local terms energy: -423.168203 where: bonds (distance) C4'-P energy: -70.647 bonds (distance) P-C4' energy: -83.168 flat angles C4'-P-C4' energy: -104.258 flat angles P-C4'-P energy: -69.581 tors. eta vs tors. theta energy: -95.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -1156.674204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.674204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.674204 (E_RNA) where: Base-Base interactions energy: -754.582 where: short stacking energy: -359.160 Base-Backbone interact. energy: -0.019 local terms energy: -402.073074 where: bonds (distance) C4'-P energy: -82.686 bonds (distance) P-C4' energy: -77.180 flat angles C4'-P-C4' energy: -101.833 flat angles P-C4'-P energy: -62.189 tors. eta vs tors. theta energy: -78.186 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: 10 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -981.136760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.136760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.136760 (E_RNA) where: Base-Base interactions energy: -625.008 where: short stacking energy: -296.881 Base-Backbone interact. energy: -1.655 local terms energy: -354.473821 where: bonds (distance) C4'-P energy: -84.371 bonds (distance) P-C4' energy: -73.467 flat angles C4'-P-C4' energy: -90.244 flat angles P-C4'-P energy: -37.287 tors. eta vs tors. theta energy: -69.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -786.412732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.412732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.412732 (E_RNA) where: Base-Base interactions energy: -443.059 where: short stacking energy: -217.721 Base-Backbone interact. energy: 0.616 local terms energy: -343.969292 where: bonds (distance) C4'-P energy: -72.536 bonds (distance) P-C4' energy: -79.704 flat angles C4'-P-C4' energy: -98.013 flat angles P-C4'-P energy: -49.634 tors. eta vs tors. theta energy: -44.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -556.430995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.430995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.430995 (E_RNA) where: Base-Base interactions energy: -271.301 where: short stacking energy: -160.758 Base-Backbone interact. energy: 0.981 local terms energy: -286.111011 where: bonds (distance) C4'-P energy: -82.389 bonds (distance) P-C4' energy: -82.174 flat angles C4'-P-C4' energy: -71.278 flat angles P-C4'-P energy: -41.567 tors. eta vs tors. theta energy: -8.704 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: 1 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -490.062522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.062522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.062522 (E_RNA) where: Base-Base interactions energy: -229.815 where: short stacking energy: -138.425 Base-Backbone interact. energy: -0.585 local terms energy: -259.662171 where: bonds (distance) C4'-P energy: -92.424 bonds (distance) P-C4' energy: -84.117 flat angles C4'-P-C4' energy: -47.242 flat angles P-C4'-P energy: -43.321 tors. eta vs tors. theta energy: 7.442 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: 4 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -516.347229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.347229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.347229 (E_RNA) where: Base-Base interactions energy: -241.498 where: short stacking energy: -129.735 Base-Backbone interact. energy: 9.610 local terms energy: -284.459587 where: bonds (distance) C4'-P energy: -78.352 bonds (distance) P-C4' energy: -93.302 flat angles C4'-P-C4' energy: -67.373 flat angles P-C4'-P energy: -42.320 tors. eta vs tors. theta energy: -3.113 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: 5 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1534.311802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.311802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.311802 (E_RNA) where: Base-Base interactions energy: -1036.207 where: short stacking energy: -471.845 Base-Backbone interact. energy: -2.603 local terms energy: -495.501912 where: bonds (distance) C4'-P energy: -88.283 bonds (distance) P-C4' energy: -100.021 flat angles C4'-P-C4' energy: -108.435 flat angles P-C4'-P energy: -61.126 tors. eta vs tors. theta energy: -137.637 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: 9 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1400.898463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.898463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.898463 (E_RNA) where: Base-Base interactions energy: -926.529 where: short stacking energy: -413.973 Base-Backbone interact. energy: -0.855 local terms energy: -473.515045 where: bonds (distance) C4'-P energy: -82.789 bonds (distance) P-C4' energy: -86.111 flat angles C4'-P-C4' energy: -111.792 flat angles P-C4'-P energy: -74.526 tors. eta vs tors. theta energy: -118.296 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: 282 Temperature: 1.000000 Total energy: -1299.653635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.653635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.653635 (E_RNA) where: Base-Base interactions energy: -857.698 where: short stacking energy: -378.259 Base-Backbone interact. energy: -0.010 local terms energy: -441.945534 where: bonds (distance) C4'-P energy: -86.717 bonds (distance) P-C4' energy: -95.783 flat angles C4'-P-C4' energy: -96.608 flat angles P-C4'-P energy: -59.784 tors. eta vs tors. theta energy: -103.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1161.426919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.426919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.426919 (E_RNA) where: Base-Base interactions energy: -722.418 where: short stacking energy: -349.728 Base-Backbone interact. energy: -1.162 local terms energy: -437.846967 where: bonds (distance) C4'-P energy: -81.761 bonds (distance) P-C4' energy: -94.484 flat angles C4'-P-C4' energy: -93.162 flat angles P-C4'-P energy: -70.940 tors. eta vs tors. theta energy: -97.501 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: 3 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -1165.530131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.530131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.530131 (E_RNA) where: Base-Base interactions energy: -726.455 where: short stacking energy: -329.569 Base-Backbone interact. energy: 4.315 local terms energy: -443.390519 where: bonds (distance) C4'-P energy: -98.494 bonds (distance) P-C4' energy: -89.968 flat angles C4'-P-C4' energy: -96.655 flat angles P-C4'-P energy: -64.289 tors. eta vs tors. theta energy: -93.985 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: 10 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -967.870312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.870312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.870312 (E_RNA) where: Base-Base interactions energy: -586.795 where: short stacking energy: -290.871 Base-Backbone interact. energy: -4.754 local terms energy: -376.320969 where: bonds (distance) C4'-P energy: -93.790 bonds (distance) P-C4' energy: -82.612 flat angles C4'-P-C4' energy: -90.678 flat angles P-C4'-P energy: -61.619 tors. eta vs tors. theta energy: -47.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -781.754097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.754097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.754097 (E_RNA) where: Base-Base interactions energy: -453.681 where: short stacking energy: -241.319 Base-Backbone interact. energy: -0.930 local terms energy: -327.143188 where: bonds (distance) C4'-P energy: -83.329 bonds (distance) P-C4' energy: -74.798 flat angles C4'-P-C4' energy: -86.402 flat angles P-C4'-P energy: -45.180 tors. eta vs tors. theta energy: -37.435 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: 8 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -562.965474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.965474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.965474 (E_RNA) where: Base-Base interactions energy: -258.442 where: short stacking energy: -158.537 Base-Backbone interact. energy: 1.529 local terms energy: -306.052908 where: bonds (distance) C4'-P energy: -83.268 bonds (distance) P-C4' energy: -96.256 flat angles C4'-P-C4' energy: -83.688 flat angles P-C4'-P energy: -46.670 tors. eta vs tors. theta energy: 3.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -524.832128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.832128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.832128 (E_RNA) where: Base-Base interactions energy: -226.736 where: short stacking energy: -126.320 Base-Backbone interact. energy: 1.012 local terms energy: -299.107959 where: bonds (distance) C4'-P energy: -70.911 bonds (distance) P-C4' energy: -101.538 flat angles C4'-P-C4' energy: -48.359 flat angles P-C4'-P energy: -67.676 tors. eta vs tors. theta energy: -10.623 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: 1 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -492.877882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.877882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.877882 (E_RNA) where: Base-Base interactions energy: -229.674 where: short stacking energy: -143.486 Base-Backbone interact. energy: -1.863 local terms energy: -261.340911 where: bonds (distance) C4'-P energy: -84.588 bonds (distance) P-C4' energy: -72.819 flat angles C4'-P-C4' energy: -67.021 flat angles P-C4'-P energy: -37.909 tors. eta vs tors. theta energy: 0.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1530.625523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.625523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.625523 (E_RNA) where: Base-Base interactions energy: -1030.247 where: short stacking energy: -478.538 Base-Backbone interact. energy: -1.515 local terms energy: -498.863638 where: bonds (distance) C4'-P energy: -85.932 bonds (distance) P-C4' energy: -91.177 flat angles C4'-P-C4' energy: -106.359 flat angles P-C4'-P energy: -73.576 tors. eta vs tors. theta energy: -141.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1410.483815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.483815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.483815 (E_RNA) where: Base-Base interactions energy: -937.074 where: short stacking energy: -435.838 Base-Backbone interact. energy: 0.768 local terms energy: -474.177526 where: bonds (distance) C4'-P energy: -84.021 bonds (distance) P-C4' energy: -98.352 flat angles C4'-P-C4' energy: -103.127 flat angles P-C4'-P energy: -69.457 tors. eta vs tors. theta energy: -119.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1277.030769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.030769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.030769 (E_RNA) where: Base-Base interactions energy: -818.503 where: short stacking energy: -378.344 Base-Backbone interact. energy: -3.294 local terms energy: -455.233590 where: bonds (distance) C4'-P energy: -84.205 bonds (distance) P-C4' energy: -90.766 flat angles C4'-P-C4' energy: -103.682 flat angles P-C4'-P energy: -67.149 tors. eta vs tors. theta energy: -109.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1193.322038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.322038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.322038 (E_RNA) where: Base-Base interactions energy: -751.299 where: short stacking energy: -347.595 Base-Backbone interact. energy: -4.849 local terms energy: -437.174365 where: bonds (distance) C4'-P energy: -93.179 bonds (distance) P-C4' energy: -93.733 flat angles C4'-P-C4' energy: -89.389 flat angles P-C4'-P energy: -66.834 tors. eta vs tors. theta energy: -94.039 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: 3 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -1126.276412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.276412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.276412 (E_RNA) where: Base-Base interactions energy: -727.201 where: short stacking energy: -328.804 Base-Backbone interact. energy: -1.608 local terms energy: -397.468211 where: bonds (distance) C4'-P energy: -90.039 bonds (distance) P-C4' energy: -80.787 flat angles C4'-P-C4' energy: -81.124 flat angles P-C4'-P energy: -61.917 tors. eta vs tors. theta energy: -83.602 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: 6, replica: 10 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -980.365123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.365123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.365123 (E_RNA) where: Base-Base interactions energy: -599.554 where: short stacking energy: -251.449 Base-Backbone interact. energy: -0.768 local terms energy: -380.043348 where: bonds (distance) C4'-P energy: -87.804 bonds (distance) P-C4' energy: -88.573 flat angles C4'-P-C4' energy: -90.907 flat angles P-C4'-P energy: -59.439 tors. eta vs tors. theta energy: -53.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -808.662388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.662388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.662388 (E_RNA) where: Base-Base interactions energy: -463.504 where: short stacking energy: -252.817 Base-Backbone interact. energy: -3.449 local terms energy: -341.708942 where: bonds (distance) C4'-P energy: -64.995 bonds (distance) P-C4' energy: -87.194 flat angles C4'-P-C4' energy: -85.893 flat angles P-C4'-P energy: -42.539 tors. eta vs tors. theta energy: -61.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -630.095225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.095225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.095225 (E_RNA) where: Base-Base interactions energy: -315.168 where: short stacking energy: -189.281 Base-Backbone interact. energy: -0.075 local terms energy: -314.852441 where: bonds (distance) C4'-P energy: -85.930 bonds (distance) P-C4' energy: -84.011 flat angles C4'-P-C4' energy: -75.383 flat angles P-C4'-P energy: -49.579 tors. eta vs tors. theta energy: -19.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -524.256679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.256679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.256679 (E_RNA) where: Base-Base interactions energy: -240.041 where: short stacking energy: -154.928 Base-Backbone interact. energy: -1.098 local terms energy: -283.117934 where: bonds (distance) C4'-P energy: -75.087 bonds (distance) P-C4' energy: -83.749 flat angles C4'-P-C4' energy: -70.701 flat angles P-C4'-P energy: -46.395 tors. eta vs tors. theta energy: -7.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -528.275982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.275982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.275982 (E_RNA) where: Base-Base interactions energy: -252.519 where: short stacking energy: -155.056 Base-Backbone interact. energy: -0.711 local terms energy: -275.046442 where: bonds (distance) C4'-P energy: -82.158 bonds (distance) P-C4' energy: -83.179 flat angles C4'-P-C4' energy: -68.454 flat angles P-C4'-P energy: -39.112 tors. eta vs tors. theta energy: -2.143 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: 5 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -1500.824783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.824783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.824783 (E_RNA) where: Base-Base interactions energy: -1031.607 where: short stacking energy: -473.355 Base-Backbone interact. energy: 1.371 local terms energy: -470.588711 where: bonds (distance) C4'-P energy: -82.745 bonds (distance) P-C4' energy: -88.859 flat angles C4'-P-C4' energy: -91.397 flat angles P-C4'-P energy: -70.944 tors. eta vs tors. theta energy: -136.644 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: 9 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1422.636862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.636862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.636862 (E_RNA) where: Base-Base interactions energy: -940.319 where: short stacking energy: -431.331 Base-Backbone interact. energy: -1.542 local terms energy: -480.776135 where: bonds (distance) C4'-P energy: -97.793 bonds (distance) P-C4' energy: -88.343 flat angles C4'-P-C4' energy: -104.565 flat angles P-C4'-P energy: -74.252 tors. eta vs tors. theta energy: -115.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1286.775725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.775725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.775725 (E_RNA) where: Base-Base interactions energy: -830.976 where: short stacking energy: -400.377 Base-Backbone interact. energy: -2.142 local terms energy: -453.657956 where: bonds (distance) C4'-P energy: -95.465 bonds (distance) P-C4' energy: -88.177 flat angles C4'-P-C4' energy: -103.127 flat angles P-C4'-P energy: -56.131 tors. eta vs tors. theta energy: -110.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1188.981192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.981192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.981192 (E_RNA) where: Base-Base interactions energy: -737.401 where: short stacking energy: -367.414 Base-Backbone interact. energy: -2.021 local terms energy: -449.559428 where: bonds (distance) C4'-P energy: -86.881 bonds (distance) P-C4' energy: -90.098 flat angles C4'-P-C4' energy: -102.852 flat angles P-C4'-P energy: -70.612 tors. eta vs tors. theta energy: -99.117 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: 3 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -1109.512115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.512115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.512115 (E_RNA) where: Base-Base interactions energy: -713.436 where: short stacking energy: -338.028 Base-Backbone interact. energy: 1.667 local terms energy: -397.743521 where: bonds (distance) C4'-P energy: -85.886 bonds (distance) P-C4' energy: -86.948 flat angles C4'-P-C4' energy: -99.552 flat angles P-C4'-P energy: -45.953 tors. eta vs tors. theta energy: -79.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -938.877025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.877025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.877025 (E_RNA) where: Base-Base interactions energy: -600.252 where: short stacking energy: -278.518 Base-Backbone interact. energy: 1.489 local terms energy: -340.114000 where: bonds (distance) C4'-P energy: -73.259 bonds (distance) P-C4' energy: -90.917 flat angles C4'-P-C4' energy: -79.982 flat angles P-C4'-P energy: -49.065 tors. eta vs tors. theta energy: -46.890 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: 6 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -805.247701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.247701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.247701 (E_RNA) where: Base-Base interactions energy: -476.432 where: short stacking energy: -212.183 Base-Backbone interact. energy: -0.734 local terms energy: -328.082529 where: bonds (distance) C4'-P energy: -67.696 bonds (distance) P-C4' energy: -86.760 flat angles C4'-P-C4' energy: -84.484 flat angles P-C4'-P energy: -51.707 tors. eta vs tors. theta energy: -37.435 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: 8 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -596.544411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.544411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.544411 (E_RNA) where: Base-Base interactions energy: -300.512 where: short stacking energy: -174.224 Base-Backbone interact. energy: -0.469 local terms energy: -295.563077 where: bonds (distance) C4'-P energy: -77.313 bonds (distance) P-C4' energy: -81.187 flat angles C4'-P-C4' energy: -71.554 flat angles P-C4'-P energy: -45.149 tors. eta vs tors. theta energy: -20.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -575.636695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.636695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.636695 (E_RNA) where: Base-Base interactions energy: -314.946 where: short stacking energy: -161.778 Base-Backbone interact. energy: -0.816 local terms energy: -259.874079 where: bonds (distance) C4'-P energy: -71.423 bonds (distance) P-C4' energy: -87.322 flat angles C4'-P-C4' energy: -63.289 flat angles P-C4'-P energy: -38.968 tors. eta vs tors. theta energy: 1.128 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: 1 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -501.822050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.822050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.822050 (E_RNA) where: Base-Base interactions energy: -235.329 where: short stacking energy: -144.076 Base-Backbone interact. energy: -1.882 local terms energy: -264.610760 where: bonds (distance) C4'-P energy: -76.259 bonds (distance) P-C4' energy: -79.448 flat angles C4'-P-C4' energy: -69.400 flat angles P-C4'-P energy: -44.034 tors. eta vs tors. theta energy: 4.530 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: 5 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1524.119631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.119631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.119631 (E_RNA) where: Base-Base interactions energy: -1026.866 where: short stacking energy: -460.593 Base-Backbone interact. energy: -4.324 local terms energy: -492.930016 where: bonds (distance) C4'-P energy: -93.887 bonds (distance) P-C4' energy: -96.261 flat angles C4'-P-C4' energy: -104.513 flat angles P-C4'-P energy: -77.930 tors. eta vs tors. theta energy: -120.339 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: 9 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1423.301814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.301814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.301814 (E_RNA) where: Base-Base interactions energy: -973.666 where: short stacking energy: -441.819 Base-Backbone interact. energy: -0.024 local terms energy: -449.611633 where: bonds (distance) C4'-P energy: -81.607 bonds (distance) P-C4' energy: -86.408 flat angles C4'-P-C4' energy: -109.407 flat angles P-C4'-P energy: -56.696 tors. eta vs tors. theta energy: -115.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1314.272987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.272987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.272987 (E_RNA) where: Base-Base interactions energy: -839.925 where: short stacking energy: -377.691 Base-Backbone interact. energy: -1.455 local terms energy: -472.893179 where: bonds (distance) C4'-P energy: -89.863 bonds (distance) P-C4' energy: -94.878 flat angles C4'-P-C4' energy: -98.593 flat angles P-C4'-P energy: -70.997 tors. eta vs tors. theta energy: -118.562 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: 7 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1173.749265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.749265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.749265 (E_RNA) where: Base-Base interactions energy: -757.099 where: short stacking energy: -369.628 Base-Backbone interact. energy: 2.480 local terms energy: -419.130082 where: bonds (distance) C4'-P energy: -75.351 bonds (distance) P-C4' energy: -82.732 flat angles C4'-P-C4' energy: -99.604 flat angles P-C4'-P energy: -64.787 tors. eta vs tors. theta energy: -96.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -1121.577487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.577487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.577487 (E_RNA) where: Base-Base interactions energy: -721.169 where: short stacking energy: -312.575 Base-Backbone interact. energy: 0.974 local terms energy: -401.381668 where: bonds (distance) C4'-P energy: -71.180 bonds (distance) P-C4' energy: -88.660 flat angles C4'-P-C4' energy: -89.120 flat angles P-C4'-P energy: -59.053 tors. eta vs tors. theta energy: -93.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -949.160921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.160921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.160921 (E_RNA) where: Base-Base interactions energy: -580.910 where: short stacking energy: -297.393 Base-Backbone interact. energy: -1.663 local terms energy: -366.588228 where: bonds (distance) C4'-P energy: -78.016 bonds (distance) P-C4' energy: -76.321 flat angles C4'-P-C4' energy: -93.966 flat angles P-C4'-P energy: -46.953 tors. eta vs tors. theta energy: -71.331 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: 6 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -856.096093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.096093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.096093 (E_RNA) where: Base-Base interactions energy: -513.462 where: short stacking energy: -255.404 Base-Backbone interact. energy: -0.374 local terms energy: -342.260648 where: bonds (distance) C4'-P energy: -76.817 bonds (distance) P-C4' energy: -79.289 flat angles C4'-P-C4' energy: -84.129 flat angles P-C4'-P energy: -64.880 tors. eta vs tors. theta energy: -37.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -638.436461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.436461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.436461 (E_RNA) where: Base-Base interactions energy: -352.286 where: short stacking energy: -204.883 Base-Backbone interact. energy: -1.261 local terms energy: -284.889709 where: bonds (distance) C4'-P energy: -70.828 bonds (distance) P-C4' energy: -78.819 flat angles C4'-P-C4' energy: -71.031 flat angles P-C4'-P energy: -48.974 tors. eta vs tors. theta energy: -15.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -538.479166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.479166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.479166 (E_RNA) where: Base-Base interactions energy: -269.237 where: short stacking energy: -156.415 Base-Backbone interact. energy: 4.355 local terms energy: -273.596490 where: bonds (distance) C4'-P energy: -74.674 bonds (distance) P-C4' energy: -79.750 flat angles C4'-P-C4' energy: -50.172 flat angles P-C4'-P energy: -59.688 tors. eta vs tors. theta energy: -9.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -498.641892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.641892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.641892 (E_RNA) where: Base-Base interactions energy: -238.547 where: short stacking energy: -150.735 Base-Backbone interact. energy: 3.935 local terms energy: -264.030493 where: bonds (distance) C4'-P energy: -51.185 bonds (distance) P-C4' energy: -77.735 flat angles C4'-P-C4' energy: -80.369 flat angles P-C4'-P energy: -52.883 tors. eta vs tors. theta energy: -1.858 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: 1, replica: 5 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1497.760086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.760086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.760086 (E_RNA) where: Base-Base interactions energy: -1009.351 where: short stacking energy: -454.170 Base-Backbone interact. energy: -0.080 local terms energy: -488.329234 where: bonds (distance) C4'-P energy: -100.833 bonds (distance) P-C4' energy: -84.249 flat angles C4'-P-C4' energy: -107.560 flat angles P-C4'-P energy: -68.414 tors. eta vs tors. theta energy: -127.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1436.707758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.707758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.707758 (E_RNA) where: Base-Base interactions energy: -975.838 where: short stacking energy: -425.885 Base-Backbone interact. energy: -4.730 local terms energy: -456.140314 where: bonds (distance) C4'-P energy: -88.997 bonds (distance) P-C4' energy: -95.312 flat angles C4'-P-C4' energy: -97.502 flat angles P-C4'-P energy: -62.982 tors. eta vs tors. theta energy: -111.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1292.161538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.161538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.161538 (E_RNA) where: Base-Base interactions energy: -832.461 where: short stacking energy: -381.913 Base-Backbone interact. energy: -1.759 local terms energy: -457.941407 where: bonds (distance) C4'-P energy: -87.457 bonds (distance) P-C4' energy: -97.206 flat angles C4'-P-C4' energy: -95.398 flat angles P-C4'-P energy: -75.815 tors. eta vs tors. theta energy: -102.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1185.551426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.551426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.551426 (E_RNA) where: Base-Base interactions energy: -748.164 where: short stacking energy: -368.694 Base-Backbone interact. energy: -1.538 local terms energy: -435.849369 where: bonds (distance) C4'-P energy: -80.508 bonds (distance) P-C4' energy: -93.022 flat angles C4'-P-C4' energy: -99.706 flat angles P-C4'-P energy: -59.356 tors. eta vs tors. theta energy: -103.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -1100.100434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.100434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.100434 (E_RNA) where: Base-Base interactions energy: -705.465 where: short stacking energy: -332.849 Base-Backbone interact. energy: -0.432 local terms energy: -394.203619 where: bonds (distance) C4'-P energy: -87.025 bonds (distance) P-C4' energy: -79.981 flat angles C4'-P-C4' energy: -96.615 flat angles P-C4'-P energy: -51.194 tors. eta vs tors. theta energy: -79.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -971.354763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.354763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.354763 (E_RNA) where: Base-Base interactions energy: -588.210 where: short stacking energy: -281.555 Base-Backbone interact. energy: 0.224 local terms energy: -383.369073 where: bonds (distance) C4'-P energy: -83.858 bonds (distance) P-C4' energy: -95.245 flat angles C4'-P-C4' energy: -87.714 flat angles P-C4'-P energy: -66.940 tors. eta vs tors. theta energy: -49.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -871.173355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.173355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.173355 (E_RNA) where: Base-Base interactions energy: -520.236 where: short stacking energy: -261.701 Base-Backbone interact. energy: 0.080 local terms energy: -351.017874 where: bonds (distance) C4'-P energy: -89.786 bonds (distance) P-C4' energy: -78.638 flat angles C4'-P-C4' energy: -80.138 flat angles P-C4'-P energy: -51.023 tors. eta vs tors. theta energy: -51.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -696.144974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.144974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.144974 (E_RNA) where: Base-Base interactions energy: -370.837 where: short stacking energy: -200.259 Base-Backbone interact. energy: 1.132 local terms energy: -326.439853 where: bonds (distance) C4'-P energy: -77.322 bonds (distance) P-C4' energy: -90.862 flat angles C4'-P-C4' energy: -80.980 flat angles P-C4'-P energy: -45.659 tors. eta vs tors. theta energy: -31.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -571.500901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.500901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.500901 (E_RNA) where: Base-Base interactions energy: -289.391 where: short stacking energy: -162.794 Base-Backbone interact. energy: 1.862 local terms energy: -283.971860 where: bonds (distance) C4'-P energy: -95.240 bonds (distance) P-C4' energy: -79.977 flat angles C4'-P-C4' energy: -66.570 flat angles P-C4'-P energy: -37.459 tors. eta vs tors. theta energy: -4.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -454.407256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.407256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.407256 (E_RNA) where: Base-Base interactions energy: -200.998 where: short stacking energy: -116.063 Base-Backbone interact. energy: -1.622 local terms energy: -251.787277 where: bonds (distance) C4'-P energy: -69.581 bonds (distance) P-C4' energy: -81.821 flat angles C4'-P-C4' energy: -77.298 flat angles P-C4'-P energy: -41.722 tors. eta vs tors. theta energy: 18.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1516.346717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.346717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.346717 (E_RNA) where: Base-Base interactions energy: -1015.131 where: short stacking energy: -461.679 Base-Backbone interact. energy: 0.258 local terms energy: -501.473361 where: bonds (distance) C4'-P energy: -101.363 bonds (distance) P-C4' energy: -94.853 flat angles C4'-P-C4' energy: -102.179 flat angles P-C4'-P energy: -68.825 tors. eta vs tors. theta energy: -134.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1424.826314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.826314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.826314 (E_RNA) where: Base-Base interactions energy: -955.600 where: short stacking energy: -423.584 Base-Backbone interact. energy: -3.603 local terms energy: -465.623683 where: bonds (distance) C4'-P energy: -86.574 bonds (distance) P-C4' energy: -81.965 flat angles C4'-P-C4' energy: -103.847 flat angles P-C4'-P energy: -74.203 tors. eta vs tors. theta energy: -119.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1311.690229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.690229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.690229 (E_RNA) where: Base-Base interactions energy: -871.323 where: short stacking energy: -393.045 Base-Backbone interact. energy: -1.910 local terms energy: -438.456985 where: bonds (distance) C4'-P energy: -72.095 bonds (distance) P-C4' energy: -96.390 flat angles C4'-P-C4' energy: -94.804 flat angles P-C4'-P energy: -67.850 tors. eta vs tors. theta energy: -107.319 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: 7 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1191.546526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.546526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.546526 (E_RNA) where: Base-Base interactions energy: -762.467 where: short stacking energy: -354.460 Base-Backbone interact. energy: -1.720 local terms energy: -427.359763 where: bonds (distance) C4'-P energy: -82.300 bonds (distance) P-C4' energy: -97.415 flat angles C4'-P-C4' energy: -96.921 flat angles P-C4'-P energy: -49.895 tors. eta vs tors. theta energy: -100.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1102.556454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.556454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.556454 (E_RNA) where: Base-Base interactions energy: -698.617 where: short stacking energy: -320.779 Base-Backbone interact. energy: -1.255 local terms energy: -402.684491 where: bonds (distance) C4'-P energy: -87.535 bonds (distance) P-C4' energy: -96.356 flat angles C4'-P-C4' energy: -100.061 flat angles P-C4'-P energy: -46.461 tors. eta vs tors. theta energy: -72.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -997.119630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.119630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.119630 (E_RNA) where: Base-Base interactions energy: -620.761 where: short stacking energy: -302.082 Base-Backbone interact. energy: -0.556 local terms energy: -375.802239 where: bonds (distance) C4'-P energy: -78.770 bonds (distance) P-C4' energy: -102.271 flat angles C4'-P-C4' energy: -80.840 flat angles P-C4'-P energy: -40.469 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: 7, replica: 6 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -879.640495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.640495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.640495 (E_RNA) where: Base-Base interactions energy: -525.784 where: short stacking energy: -253.105 Base-Backbone interact. energy: -0.831 local terms energy: -353.025354 where: bonds (distance) C4'-P energy: -79.124 bonds (distance) P-C4' energy: -87.134 flat angles C4'-P-C4' energy: -87.120 flat angles P-C4'-P energy: -55.107 tors. eta vs tors. theta energy: -44.539 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: 287 Temperature: 1.250000 Total energy: -652.796865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.796865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.796865 (E_RNA) where: Base-Base interactions energy: -338.605 where: short stacking energy: -204.552 Base-Backbone interact. energy: -1.416 local terms energy: -312.776162 where: bonds (distance) C4'-P energy: -71.758 bonds (distance) P-C4' energy: -85.307 flat angles C4'-P-C4' energy: -85.212 flat angles P-C4'-P energy: -41.729 tors. eta vs tors. theta energy: -28.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -555.546069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.546069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.546069 (E_RNA) where: Base-Base interactions energy: -285.520 where: short stacking energy: -165.717 Base-Backbone interact. energy: 2.964 local terms energy: -272.990274 where: bonds (distance) C4'-P energy: -74.237 bonds (distance) P-C4' energy: -88.225 flat angles C4'-P-C4' energy: -80.727 flat angles P-C4'-P energy: -22.256 tors. eta vs tors. theta energy: -7.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -485.432262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.432262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.432262 (E_RNA) where: Base-Base interactions energy: -247.898 where: short stacking energy: -162.482 Base-Backbone interact. energy: -1.592 local terms energy: -235.942029 where: bonds (distance) C4'-P energy: -73.199 bonds (distance) P-C4' energy: -69.976 flat angles C4'-P-C4' energy: -63.256 flat angles P-C4'-P energy: -26.127 tors. eta vs tors. theta energy: -3.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1516.027220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.027220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.027220 (E_RNA) where: Base-Base interactions energy: -1002.264 where: short stacking energy: -438.263 Base-Backbone interact. energy: -2.900 local terms energy: -510.862796 where: bonds (distance) C4'-P energy: -91.941 bonds (distance) P-C4' energy: -103.652 flat angles C4'-P-C4' energy: -107.197 flat angles P-C4'-P energy: -73.933 tors. eta vs tors. theta energy: -134.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1427.884227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.884227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.884227 (E_RNA) where: Base-Base interactions energy: -958.377 where: short stacking energy: -422.625 Base-Backbone interact. energy: 1.327 local terms energy: -470.834005 where: bonds (distance) C4'-P energy: -99.085 bonds (distance) P-C4' energy: -91.830 flat angles C4'-P-C4' energy: -97.890 flat angles P-C4'-P energy: -66.415 tors. eta vs tors. theta energy: -115.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1323.774329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.774329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.774329 (E_RNA) where: Base-Base interactions energy: -843.468 where: short stacking energy: -386.945 Base-Backbone interact. energy: 0.068 local terms energy: -480.373850 where: bonds (distance) C4'-P energy: -87.294 bonds (distance) P-C4' energy: -91.634 flat angles C4'-P-C4' energy: -105.259 flat angles P-C4'-P energy: -68.822 tors. eta vs tors. theta energy: -127.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1219.106200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.106200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.106200 (E_RNA) where: Base-Base interactions energy: -761.206 where: short stacking energy: -349.504 Base-Backbone interact. energy: 2.799 local terms energy: -460.699043 where: bonds (distance) C4'-P energy: -95.289 bonds (distance) P-C4' energy: -85.280 flat angles C4'-P-C4' energy: -98.296 flat angles P-C4'-P energy: -74.558 tors. eta vs tors. theta energy: -107.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -1111.006632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.006632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.006632 (E_RNA) where: Base-Base interactions energy: -721.054 where: short stacking energy: -350.995 Base-Backbone interact. energy: -0.849 local terms energy: -389.103361 where: bonds (distance) C4'-P energy: -82.009 bonds (distance) P-C4' energy: -81.902 flat angles C4'-P-C4' energy: -103.259 flat angles P-C4'-P energy: -50.573 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: 6, replica: 10 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -971.673783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.673783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.673783 (E_RNA) where: Base-Base interactions energy: -633.664 where: short stacking energy: -280.432 Base-Backbone interact. energy: 5.224 local terms energy: -343.233803 where: bonds (distance) C4'-P energy: -84.554 bonds (distance) P-C4' energy: -86.159 flat angles C4'-P-C4' energy: -66.410 flat angles P-C4'-P energy: -50.666 tors. eta vs tors. theta energy: -55.444 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: 7, replica: 6 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -826.161222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.161222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.161222 (E_RNA) where: Base-Base interactions energy: -505.890 where: short stacking energy: -222.345 Base-Backbone interact. energy: 2.319 local terms energy: -322.590314 where: bonds (distance) C4'-P energy: -81.939 bonds (distance) P-C4' energy: -81.425 flat angles C4'-P-C4' energy: -78.937 flat angles P-C4'-P energy: -47.393 tors. eta vs tors. theta energy: -32.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -594.525317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.525317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.525317 (E_RNA) where: Base-Base interactions energy: -280.433 where: short stacking energy: -179.341 Base-Backbone interact. energy: -3.001 local terms energy: -311.092179 where: bonds (distance) C4'-P energy: -78.412 bonds (distance) P-C4' energy: -85.702 flat angles C4'-P-C4' energy: -79.472 flat angles P-C4'-P energy: -36.516 tors. eta vs tors. theta energy: -30.990 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: 8 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -535.736174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.736174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.736174 (E_RNA) where: Base-Base interactions energy: -222.757 where: short stacking energy: -136.596 Base-Backbone interact. energy: 5.976 local terms energy: -318.955334 where: bonds (distance) C4'-P energy: -86.367 bonds (distance) P-C4' energy: -94.172 flat angles C4'-P-C4' energy: -80.765 flat angles P-C4'-P energy: -53.982 tors. eta vs tors. theta energy: -3.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -462.403962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.403962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.403962 (E_RNA) where: Base-Base interactions energy: -210.930 where: short stacking energy: -127.751 Base-Backbone interact. energy: 3.563 local terms energy: -255.036961 where: bonds (distance) C4'-P energy: -65.312 bonds (distance) P-C4' energy: -90.551 flat angles C4'-P-C4' energy: -58.913 flat angles P-C4'-P energy: -55.067 tors. eta vs tors. theta energy: 14.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1498.421467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.421467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.421467 (E_RNA) where: Base-Base interactions energy: -1004.046 where: short stacking energy: -446.508 Base-Backbone interact. energy: -1.085 local terms energy: -493.290568 where: bonds (distance) C4'-P energy: -100.555 bonds (distance) P-C4' energy: -101.087 flat angles C4'-P-C4' energy: -103.377 flat angles P-C4'-P energy: -58.997 tors. eta vs tors. theta energy: -129.275 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: 9 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1475.623588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.623588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.623588 (E_RNA) where: Base-Base interactions energy: -1000.455 where: short stacking energy: -415.492 Base-Backbone interact. energy: -2.656 local terms energy: -472.512486 where: bonds (distance) C4'-P energy: -93.114 bonds (distance) P-C4' energy: -96.522 flat angles C4'-P-C4' energy: -100.714 flat angles P-C4'-P energy: -65.286 tors. eta vs tors. theta energy: -116.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -1330.604557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.604557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.604557 (E_RNA) where: Base-Base interactions energy: -856.697 where: short stacking energy: -398.033 Base-Backbone interact. energy: -2.282 local terms energy: -471.625371 where: bonds (distance) C4'-P energy: -96.770 bonds (distance) P-C4' energy: -83.883 flat angles C4'-P-C4' energy: -99.332 flat angles P-C4'-P energy: -65.555 tors. eta vs tors. theta energy: -126.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1195.037836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.037836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.037836 (E_RNA) where: Base-Base interactions energy: -773.405 where: short stacking energy: -373.644 Base-Backbone interact. energy: 1.184 local terms energy: -422.817702 where: bonds (distance) C4'-P energy: -86.432 bonds (distance) P-C4' energy: -92.620 flat angles C4'-P-C4' energy: -89.122 flat angles P-C4'-P energy: -57.380 tors. eta vs tors. theta energy: -97.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1136.392437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.392437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.392437 (E_RNA) where: Base-Base interactions energy: -740.736 where: short stacking energy: -350.658 Base-Backbone interact. energy: 0.356 local terms energy: -396.012996 where: bonds (distance) C4'-P energy: -93.253 bonds (distance) P-C4' energy: -80.206 flat angles C4'-P-C4' energy: -95.281 flat angles P-C4'-P energy: -44.842 tors. eta vs tors. theta energy: -82.431 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: 10 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -997.930140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.930140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.930140 (E_RNA) where: Base-Base interactions energy: -623.974 where: short stacking energy: -296.925 Base-Backbone interact. energy: 4.112 local terms energy: -378.068092 where: bonds (distance) C4'-P energy: -77.273 bonds (distance) P-C4' energy: -83.702 flat angles C4'-P-C4' energy: -87.200 flat angles P-C4'-P energy: -50.474 tors. eta vs tors. theta energy: -79.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -835.753547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.753547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.753547 (E_RNA) where: Base-Base interactions energy: -488.025 where: short stacking energy: -250.752 Base-Backbone interact. energy: -1.413 local terms energy: -346.315068 where: bonds (distance) C4'-P energy: -70.557 bonds (distance) P-C4' energy: -86.229 flat angles C4'-P-C4' energy: -82.314 flat angles P-C4'-P energy: -48.799 tors. eta vs tors. theta energy: -58.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -597.704107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.704107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.704107 (E_RNA) where: Base-Base interactions energy: -296.819 where: short stacking energy: -169.260 Base-Backbone interact. energy: -0.657 local terms energy: -300.227736 where: bonds (distance) C4'-P energy: -73.234 bonds (distance) P-C4' energy: -98.006 flat angles C4'-P-C4' energy: -79.294 flat angles P-C4'-P energy: -38.980 tors. eta vs tors. theta energy: -10.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -554.625646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.625646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.625646 (E_RNA) where: Base-Base interactions energy: -274.523 where: short stacking energy: -137.773 Base-Backbone interact. energy: 1.732 local terms energy: -281.834920 where: bonds (distance) C4'-P energy: -84.500 bonds (distance) P-C4' energy: -77.810 flat angles C4'-P-C4' energy: -72.909 flat angles P-C4'-P energy: -43.064 tors. eta vs tors. theta energy: -3.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -469.698534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.698534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.698534 (E_RNA) where: Base-Base interactions energy: -205.556 where: short stacking energy: -114.668 Base-Backbone interact. energy: 0.744 local terms energy: -264.887324 where: bonds (distance) C4'-P energy: -86.123 bonds (distance) P-C4' energy: -87.584 flat angles C4'-P-C4' energy: -68.506 flat angles P-C4'-P energy: -42.939 tors. eta vs tors. theta energy: 20.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1499.637390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.637390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.637390 (E_RNA) where: Base-Base interactions energy: -1016.995 where: short stacking energy: -432.639 Base-Backbone interact. energy: -3.640 local terms energy: -479.002849 where: bonds (distance) C4'-P energy: -91.843 bonds (distance) P-C4' energy: -90.462 flat angles C4'-P-C4' energy: -102.689 flat angles P-C4'-P energy: -74.740 tors. eta vs tors. theta energy: -119.269 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: 5 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1460.984475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.984475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.984475 (E_RNA) where: Base-Base interactions energy: -966.392 where: short stacking energy: -458.675 Base-Backbone interact. energy: -1.763 local terms energy: -492.829501 where: bonds (distance) C4'-P energy: -91.182 bonds (distance) P-C4' energy: -93.778 flat angles C4'-P-C4' energy: -105.775 flat angles P-C4'-P energy: -68.651 tors. eta vs tors. theta energy: -133.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1329.211402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.211402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.211402 (E_RNA) where: Base-Base interactions energy: -872.158 where: short stacking energy: -411.437 Base-Backbone interact. energy: -0.008 local terms energy: -457.045406 where: bonds (distance) C4'-P energy: -89.056 bonds (distance) P-C4' energy: -88.135 flat angles C4'-P-C4' energy: -103.832 flat angles P-C4'-P energy: -52.112 tors. eta vs tors. theta energy: -123.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1210.069202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.069202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.069202 (E_RNA) where: Base-Base interactions energy: -758.222 where: short stacking energy: -353.183 Base-Backbone interact. energy: 1.461 local terms energy: -453.307662 where: bonds (distance) C4'-P energy: -95.630 bonds (distance) P-C4' energy: -100.445 flat angles C4'-P-C4' energy: -97.176 flat angles P-C4'-P energy: -71.143 tors. eta vs tors. theta energy: -88.913 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: 3 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1082.625907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.625907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.625907 (E_RNA) where: Base-Base interactions energy: -672.506 where: short stacking energy: -316.955 Base-Backbone interact. energy: 1.905 local terms energy: -412.025747 where: bonds (distance) C4'-P energy: -89.462 bonds (distance) P-C4' energy: -96.795 flat angles C4'-P-C4' energy: -87.787 flat angles P-C4'-P energy: -62.812 tors. eta vs tors. theta energy: -75.170 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: 10 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -971.738329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.738329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.738329 (E_RNA) where: Base-Base interactions energy: -585.031 where: short stacking energy: -282.116 Base-Backbone interact. energy: -1.487 local terms energy: -385.220053 where: bonds (distance) C4'-P energy: -79.611 bonds (distance) P-C4' energy: -93.820 flat angles C4'-P-C4' energy: -81.834 flat angles P-C4'-P energy: -62.891 tors. eta vs tors. theta energy: -67.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -839.712327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.712327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.712327 (E_RNA) where: Base-Base interactions energy: -511.819 where: short stacking energy: -255.234 Base-Backbone interact. energy: -1.800 local terms energy: -326.094149 where: bonds (distance) C4'-P energy: -78.504 bonds (distance) P-C4' energy: -78.423 flat angles C4'-P-C4' energy: -82.869 flat angles P-C4'-P energy: -39.816 tors. eta vs tors. theta energy: -46.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -585.593745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.593745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.593745 (E_RNA) where: Base-Base interactions energy: -285.367 where: short stacking energy: -154.807 Base-Backbone interact. energy: 5.142 local terms energy: -305.368771 where: bonds (distance) C4'-P energy: -82.955 bonds (distance) P-C4' energy: -85.397 flat angles C4'-P-C4' energy: -90.268 flat angles P-C4'-P energy: -50.053 tors. eta vs tors. theta energy: 3.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -541.379796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.379796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.379796 (E_RNA) where: Base-Base interactions energy: -258.113 where: short stacking energy: -156.033 Base-Backbone interact. energy: -0.199 local terms energy: -283.067627 where: bonds (distance) C4'-P energy: -78.766 bonds (distance) P-C4' energy: -84.430 flat angles C4'-P-C4' energy: -76.093 flat angles P-C4'-P energy: -43.330 tors. eta vs tors. theta energy: -0.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -494.049832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.049832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.049832 (E_RNA) where: Base-Base interactions energy: -215.600 where: short stacking energy: -134.513 Base-Backbone interact. energy: -0.785 local terms energy: -277.664399 where: bonds (distance) C4'-P energy: -79.678 bonds (distance) P-C4' energy: -88.666 flat angles C4'-P-C4' energy: -55.643 flat angles P-C4'-P energy: -50.383 tors. eta vs tors. theta energy: -3.295 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: 9 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1528.366724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.366724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.366724 (E_RNA) where: Base-Base interactions energy: -1048.427 where: short stacking energy: -462.668 Base-Backbone interact. energy: -3.642 local terms energy: -476.298195 where: bonds (distance) C4'-P energy: -100.475 bonds (distance) P-C4' energy: -86.381 flat angles C4'-P-C4' energy: -98.943 flat angles P-C4'-P energy: -66.539 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: 2, replica: 5 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1446.595159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.595159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.595159 (E_RNA) where: Base-Base interactions energy: -965.259 where: short stacking energy: -429.460 Base-Backbone interact. energy: -2.526 local terms energy: -478.809902 where: bonds (distance) C4'-P energy: -86.989 bonds (distance) P-C4' energy: -93.991 flat angles C4'-P-C4' energy: -105.335 flat angles P-C4'-P energy: -63.011 tors. eta vs tors. theta energy: -129.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1362.855757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.855757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.855757 (E_RNA) where: Base-Base interactions energy: -906.229 where: short stacking energy: -427.280 Base-Backbone interact. energy: -1.624 local terms energy: -455.002843 where: bonds (distance) C4'-P energy: -77.999 bonds (distance) P-C4' energy: -92.615 flat angles C4'-P-C4' energy: -97.181 flat angles P-C4'-P energy: -65.464 tors. eta vs tors. theta energy: -121.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1186.854147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.854147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.854147 (E_RNA) where: Base-Base interactions energy: -759.235 where: short stacking energy: -358.939 Base-Backbone interact. energy: -1.219 local terms energy: -426.400297 where: bonds (distance) C4'-P energy: -86.835 bonds (distance) P-C4' energy: -107.097 flat angles C4'-P-C4' energy: -91.959 flat angles P-C4'-P energy: -55.493 tors. eta vs tors. theta energy: -85.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1129.000392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.000392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.000392 (E_RNA) where: Base-Base interactions energy: -725.086 where: short stacking energy: -344.378 Base-Backbone interact. energy: 0.676 local terms energy: -404.590178 where: bonds (distance) C4'-P energy: -83.506 bonds (distance) P-C4' energy: -101.642 flat angles C4'-P-C4' energy: -74.259 flat angles P-C4'-P energy: -61.699 tors. eta vs tors. theta energy: -83.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -904.726646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.726646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.726646 (E_RNA) where: Base-Base interactions energy: -541.513 where: short stacking energy: -279.446 Base-Backbone interact. energy: -2.144 local terms energy: -361.069694 where: bonds (distance) C4'-P energy: -83.674 bonds (distance) P-C4' energy: -89.731 flat angles C4'-P-C4' energy: -92.311 flat angles P-C4'-P energy: -43.992 tors. eta vs tors. theta energy: -51.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -862.633633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.633633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.633633 (E_RNA) where: Base-Base interactions energy: -539.830 where: short stacking energy: -260.023 Base-Backbone interact. energy: -2.667 local terms energy: -320.135730 where: bonds (distance) C4'-P energy: -80.601 bonds (distance) P-C4' energy: -63.013 flat angles C4'-P-C4' energy: -72.397 flat angles P-C4'-P energy: -49.823 tors. eta vs tors. theta energy: -54.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -659.881945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.881945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.881945 (E_RNA) where: Base-Base interactions energy: -354.304 where: short stacking energy: -191.640 Base-Backbone interact. energy: 1.738 local terms energy: -307.316058 where: bonds (distance) C4'-P energy: -78.611 bonds (distance) P-C4' energy: -90.603 flat angles C4'-P-C4' energy: -79.457 flat angles P-C4'-P energy: -45.840 tors. eta vs tors. theta energy: -12.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -524.443560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.443560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.443560 (E_RNA) where: Base-Base interactions energy: -240.821 where: short stacking energy: -131.608 Base-Backbone interact. energy: -0.013 local terms energy: -283.610113 where: bonds (distance) C4'-P energy: -91.879 bonds (distance) P-C4' energy: -85.317 flat angles C4'-P-C4' energy: -66.541 flat angles P-C4'-P energy: -46.815 tors. eta vs tors. theta energy: 6.942 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: 1 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -459.993898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.993898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.993898 (E_RNA) where: Base-Base interactions energy: -222.885 where: short stacking energy: -104.348 Base-Backbone interact. energy: 4.556 local terms energy: -241.665251 where: bonds (distance) C4'-P energy: -80.192 bonds (distance) P-C4' energy: -68.674 flat angles C4'-P-C4' energy: -61.164 flat angles P-C4'-P energy: -39.496 tors. eta vs tors. theta energy: 7.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1538.210604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.210604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.210604 (E_RNA) where: Base-Base interactions energy: -1045.638 where: short stacking energy: -476.784 Base-Backbone interact. energy: -0.798 local terms energy: -491.775137 where: bonds (distance) C4'-P energy: -95.885 bonds (distance) P-C4' energy: -90.500 flat angles C4'-P-C4' energy: -100.569 flat angles P-C4'-P energy: -67.942 tors. eta vs tors. theta energy: -136.880 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: 5 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1434.650609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.650609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.650609 (E_RNA) where: Base-Base interactions energy: -952.544 where: short stacking energy: -408.175 Base-Backbone interact. energy: -2.550 local terms energy: -479.556915 where: bonds (distance) C4'-P energy: -95.408 bonds (distance) P-C4' energy: -96.024 flat angles C4'-P-C4' energy: -101.569 flat angles P-C4'-P energy: -63.392 tors. eta vs tors. theta energy: -123.164 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: 292 Temperature: 1.000000 Total energy: -1326.816453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.816453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.816453 (E_RNA) where: Base-Base interactions energy: -866.034 where: short stacking energy: -397.076 Base-Backbone interact. energy: -1.129 local terms energy: -459.653628 where: bonds (distance) C4'-P energy: -94.523 bonds (distance) P-C4' energy: -95.176 flat angles C4'-P-C4' energy: -93.549 flat angles P-C4'-P energy: -63.418 tors. eta vs tors. theta energy: -112.987 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: 7 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1136.178746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.178746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.178746 (E_RNA) where: Base-Base interactions energy: -726.555 where: short stacking energy: -336.954 Base-Backbone interact. energy: 0.384 local terms energy: -410.007148 where: bonds (distance) C4'-P energy: -93.164 bonds (distance) P-C4' energy: -89.119 flat angles C4'-P-C4' energy: -97.271 flat angles P-C4'-P energy: -44.941 tors. eta vs tors. theta energy: -85.512 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: 3 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -1109.432569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.432569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.432569 (E_RNA) where: Base-Base interactions energy: -700.211 where: short stacking energy: -315.642 Base-Backbone interact. energy: 1.262 local terms energy: -410.483495 where: bonds (distance) C4'-P energy: -82.155 bonds (distance) P-C4' energy: -91.176 flat angles C4'-P-C4' energy: -98.820 flat angles P-C4'-P energy: -61.313 tors. eta vs tors. theta energy: -77.020 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: 292 Temperature: 1.150000 Total energy: -936.131373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.131373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.131373 (E_RNA) where: Base-Base interactions energy: -559.929 where: short stacking energy: -277.615 Base-Backbone interact. energy: -0.701 local terms energy: -375.501679 where: bonds (distance) C4'-P energy: -75.613 bonds (distance) P-C4' energy: -93.128 flat angles C4'-P-C4' energy: -97.172 flat angles P-C4'-P energy: -50.537 tors. eta vs tors. theta energy: -59.051 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: 7, replica: 6 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -883.806241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.806241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.806241 (E_RNA) where: Base-Base interactions energy: -532.357 where: short stacking energy: -264.551 Base-Backbone interact. energy: 0.733 local terms energy: -352.181409 where: bonds (distance) C4'-P energy: -83.908 bonds (distance) P-C4' energy: -87.993 flat angles C4'-P-C4' energy: -79.508 flat angles P-C4'-P energy: -51.592 tors. eta vs tors. theta energy: -49.180 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: 8, replica: 4 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -676.950891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.950891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.950891 (E_RNA) where: Base-Base interactions energy: -369.604 where: short stacking energy: -206.956 Base-Backbone interact. energy: 2.658 local terms energy: -310.005104 where: bonds (distance) C4'-P energy: -81.154 bonds (distance) P-C4' energy: -84.226 flat angles C4'-P-C4' energy: -74.781 flat angles P-C4'-P energy: -39.865 tors. eta vs tors. theta energy: -29.978 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: 9, replica: 1 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -530.393862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.393862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.393862 (E_RNA) where: Base-Base interactions energy: -271.982 where: short stacking energy: -163.231 Base-Backbone interact. energy: -0.037 local terms energy: -258.374703 where: bonds (distance) C4'-P energy: -80.935 bonds (distance) P-C4' energy: -73.744 flat angles C4'-P-C4' energy: -65.538 flat angles P-C4'-P energy: -42.448 tors. eta vs tors. theta energy: 4.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -501.958583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.958583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.958583 (E_RNA) where: Base-Base interactions energy: -254.599 where: short stacking energy: -155.222 Base-Backbone interact. energy: -1.515 local terms energy: -245.844826 where: bonds (distance) C4'-P energy: -74.571 bonds (distance) P-C4' energy: -82.195 flat angles C4'-P-C4' energy: -62.659 flat angles P-C4'-P energy: -27.193 tors. eta vs tors. theta energy: 0.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1516.702521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.702521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.702521 (E_RNA) where: Base-Base interactions energy: -1013.771 where: short stacking energy: -471.999 Base-Backbone interact. energy: -3.366 local terms energy: -499.565365 where: bonds (distance) C4'-P energy: -79.114 bonds (distance) P-C4' energy: -107.585 flat angles C4'-P-C4' energy: -99.266 flat angles P-C4'-P energy: -75.329 tors. eta vs tors. theta energy: -138.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1461.057519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.057519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.057519 (E_RNA) where: Base-Base interactions energy: -971.619 where: short stacking energy: -427.691 Base-Backbone interact. energy: -4.360 local terms energy: -485.077937 where: bonds (distance) C4'-P energy: -89.924 bonds (distance) P-C4' energy: -87.622 flat angles C4'-P-C4' energy: -109.822 flat angles P-C4'-P energy: -72.392 tors. eta vs tors. theta energy: -125.318 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: 293 Temperature: 1.000000 Total energy: -1330.971528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.971528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.971528 (E_RNA) where: Base-Base interactions energy: -878.101 where: short stacking energy: -393.312 Base-Backbone interact. energy: 1.592 local terms energy: -454.462274 where: bonds (distance) C4'-P energy: -89.962 bonds (distance) P-C4' energy: -91.771 flat angles C4'-P-C4' energy: -92.871 flat angles P-C4'-P energy: -61.355 tors. eta vs tors. theta energy: -118.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1170.310797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.310797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.310797 (E_RNA) where: Base-Base interactions energy: -737.188 where: short stacking energy: -339.231 Base-Backbone interact. energy: 0.400 local terms energy: -433.523335 where: bonds (distance) C4'-P energy: -84.391 bonds (distance) P-C4' energy: -97.976 flat angles C4'-P-C4' energy: -106.074 flat angles P-C4'-P energy: -53.809 tors. eta vs tors. theta energy: -91.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -1117.041489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.041489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.041489 (E_RNA) where: Base-Base interactions energy: -703.914 where: short stacking energy: -328.471 Base-Backbone interact. energy: -1.984 local terms energy: -411.142997 where: bonds (distance) C4'-P energy: -78.352 bonds (distance) P-C4' energy: -88.561 flat angles C4'-P-C4' energy: -92.259 flat angles P-C4'-P energy: -69.502 tors. eta vs tors. theta energy: -82.469 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: 6 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -917.932180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.932180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.932180 (E_RNA) where: Base-Base interactions energy: -533.987 where: short stacking energy: -258.789 Base-Backbone interact. energy: -0.522 local terms energy: -383.423474 where: bonds (distance) C4'-P energy: -89.381 bonds (distance) P-C4' energy: -88.935 flat angles C4'-P-C4' energy: -86.563 flat angles P-C4'-P energy: -56.326 tors. eta vs tors. theta energy: -62.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -891.093511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.093511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.093511 (E_RNA) where: Base-Base interactions energy: -544.678 where: short stacking energy: -253.001 Base-Backbone interact. energy: -1.684 local terms energy: -344.731974 where: bonds (distance) C4'-P energy: -84.347 bonds (distance) P-C4' energy: -84.292 flat angles C4'-P-C4' energy: -83.988 flat angles P-C4'-P energy: -36.484 tors. eta vs tors. theta energy: -55.622 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: 293 Temperature: 1.250000 Total energy: -656.348857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.348857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.348857 (E_RNA) where: Base-Base interactions energy: -347.864 where: short stacking energy: -194.188 Base-Backbone interact. energy: -1.954 local terms energy: -306.530879 where: bonds (distance) C4'-P energy: -73.154 bonds (distance) P-C4' energy: -87.636 flat angles C4'-P-C4' energy: -82.932 flat angles P-C4'-P energy: -47.322 tors. eta vs tors. theta energy: -15.487 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: 9, replica: 1 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -571.433024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.433024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.433024 (E_RNA) where: Base-Base interactions energy: -267.375 where: short stacking energy: -145.114 Base-Backbone interact. energy: -0.502 local terms energy: -303.556576 where: bonds (distance) C4'-P energy: -76.838 bonds (distance) P-C4' energy: -94.392 flat angles C4'-P-C4' energy: -82.017 flat angles P-C4'-P energy: -37.595 tors. eta vs tors. theta energy: -12.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -485.102964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.102964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.102964 (E_RNA) where: Base-Base interactions energy: -227.532 where: short stacking energy: -122.374 Base-Backbone interact. energy: -1.819 local terms energy: -255.751413 where: bonds (distance) C4'-P energy: -75.529 bonds (distance) P-C4' energy: -93.906 flat angles C4'-P-C4' energy: -55.370 flat angles P-C4'-P energy: -41.586 tors. eta vs tors. theta energy: 10.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1502.981294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.981294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.981294 (E_RNA) where: Base-Base interactions energy: -1020.407 where: short stacking energy: -446.676 Base-Backbone interact. energy: -1.177 local terms energy: -481.397773 where: bonds (distance) C4'-P energy: -98.060 bonds (distance) P-C4' energy: -85.743 flat angles C4'-P-C4' energy: -113.829 flat angles P-C4'-P energy: -62.735 tors. eta vs tors. theta energy: -121.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1423.120668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.120668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.120668 (E_RNA) where: Base-Base interactions energy: -928.035 where: short stacking energy: -407.329 Base-Backbone interact. energy: -1.362 local terms energy: -493.724087 where: bonds (distance) C4'-P energy: -98.983 bonds (distance) P-C4' energy: -94.108 flat angles C4'-P-C4' energy: -108.061 flat angles P-C4'-P energy: -73.423 tors. eta vs tors. theta energy: -119.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1338.581577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.581577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.581577 (E_RNA) where: Base-Base interactions energy: -893.363 where: short stacking energy: -396.595 Base-Backbone interact. energy: -0.576 local terms energy: -444.642327 where: bonds (distance) C4'-P energy: -83.156 bonds (distance) P-C4' energy: -79.197 flat angles C4'-P-C4' energy: -103.708 flat angles P-C4'-P energy: -64.413 tors. eta vs tors. theta energy: -114.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1139.472572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.472572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.472572 (E_RNA) where: Base-Base interactions energy: -728.076 where: short stacking energy: -362.759 Base-Backbone interact. energy: -2.863 local terms energy: -408.533774 where: bonds (distance) C4'-P energy: -83.650 bonds (distance) P-C4' energy: -89.017 flat angles C4'-P-C4' energy: -79.974 flat angles P-C4'-P energy: -63.412 tors. eta vs tors. theta energy: -92.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -1122.237075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.237075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.237075 (E_RNA) where: Base-Base interactions energy: -706.679 where: short stacking energy: -325.802 Base-Backbone interact. energy: -1.787 local terms energy: -413.770459 where: bonds (distance) C4'-P energy: -96.059 bonds (distance) P-C4' energy: -80.892 flat angles C4'-P-C4' energy: -98.963 flat angles P-C4'-P energy: -59.314 tors. eta vs tors. theta energy: -78.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -943.964659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.964659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.964659 (E_RNA) where: Base-Base interactions energy: -568.727 where: short stacking energy: -286.088 Base-Backbone interact. energy: -0.053 local terms energy: -375.184791 where: bonds (distance) C4'-P energy: -80.170 bonds (distance) P-C4' energy: -83.250 flat angles C4'-P-C4' energy: -96.142 flat angles P-C4'-P energy: -45.256 tors. eta vs tors. theta energy: -70.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -871.155714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.155714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.155714 (E_RNA) where: Base-Base interactions energy: -517.466 where: short stacking energy: -233.669 Base-Backbone interact. energy: 1.087 local terms energy: -354.776637 where: bonds (distance) C4'-P energy: -88.431 bonds (distance) P-C4' energy: -77.491 flat angles C4'-P-C4' energy: -89.752 flat angles P-C4'-P energy: -51.529 tors. eta vs tors. theta energy: -47.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -589.886353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.886353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.886353 (E_RNA) where: Base-Base interactions energy: -284.075 where: short stacking energy: -145.531 Base-Backbone interact. energy: -0.476 local terms energy: -305.335254 where: bonds (distance) C4'-P energy: -90.777 bonds (distance) P-C4' energy: -78.665 flat angles C4'-P-C4' energy: -73.404 flat angles P-C4'-P energy: -61.787 tors. eta vs tors. theta energy: -0.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -542.878824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.878824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.878824 (E_RNA) where: Base-Base interactions energy: -265.680 where: short stacking energy: -152.553 Base-Backbone interact. energy: -0.184 local terms energy: -277.015225 where: bonds (distance) C4'-P energy: -81.439 bonds (distance) P-C4' energy: -92.213 flat angles C4'-P-C4' energy: -79.657 flat angles P-C4'-P energy: -22.509 tors. eta vs tors. theta energy: -1.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -532.936279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.936279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.936279 (E_RNA) where: Base-Base interactions energy: -245.149 where: short stacking energy: -136.748 Base-Backbone interact. energy: -1.091 local terms energy: -286.696164 where: bonds (distance) C4'-P energy: -83.366 bonds (distance) P-C4' energy: -68.357 flat angles C4'-P-C4' energy: -80.346 flat angles P-C4'-P energy: -57.889 tors. eta vs tors. theta energy: 3.261 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: 1, replica: 9 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1510.342220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.342220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.342220 (E_RNA) where: Base-Base interactions energy: -1021.757 where: short stacking energy: -440.942 Base-Backbone interact. energy: 0.119 local terms energy: -488.704316 where: bonds (distance) C4'-P energy: -96.154 bonds (distance) P-C4' energy: -96.875 flat angles C4'-P-C4' energy: -95.910 flat angles P-C4'-P energy: -71.065 tors. eta vs tors. theta energy: -128.699 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: 5 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1442.832007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.832007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.832007 (E_RNA) where: Base-Base interactions energy: -974.775 where: short stacking energy: -446.644 Base-Backbone interact. energy: -0.511 local terms energy: -467.546551 where: bonds (distance) C4'-P energy: -86.350 bonds (distance) P-C4' energy: -93.579 flat angles C4'-P-C4' energy: -101.306 flat angles P-C4'-P energy: -63.365 tors. eta vs tors. theta energy: -122.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1326.207819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.207819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.207819 (E_RNA) where: Base-Base interactions energy: -888.476 where: short stacking energy: -381.109 Base-Backbone interact. energy: 4.726 local terms energy: -442.457435 where: bonds (distance) C4'-P energy: -77.176 bonds (distance) P-C4' energy: -92.904 flat angles C4'-P-C4' energy: -91.919 flat angles P-C4'-P energy: -66.661 tors. eta vs tors. theta energy: -113.797 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: 3 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1169.525987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.525987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.525987 (E_RNA) where: Base-Base interactions energy: -747.311 where: short stacking energy: -342.789 Base-Backbone interact. energy: -1.739 local terms energy: -420.475633 where: bonds (distance) C4'-P energy: -98.165 bonds (distance) P-C4' energy: -86.413 flat angles C4'-P-C4' energy: -106.283 flat angles P-C4'-P energy: -47.964 tors. eta vs tors. theta energy: -81.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -1096.702896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.702896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.702896 (E_RNA) where: Base-Base interactions energy: -706.176 where: short stacking energy: -336.929 Base-Backbone interact. energy: -2.004 local terms energy: -388.522438 where: bonds (distance) C4'-P energy: -84.692 bonds (distance) P-C4' energy: -77.573 flat angles C4'-P-C4' energy: -99.377 flat angles P-C4'-P energy: -48.513 tors. eta vs tors. theta energy: -78.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -926.403014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.403014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.403014 (E_RNA) where: Base-Base interactions energy: -547.408 where: short stacking energy: -266.056 Base-Backbone interact. energy: -0.513 local terms energy: -378.481862 where: bonds (distance) C4'-P energy: -87.630 bonds (distance) P-C4' energy: -95.275 flat angles C4'-P-C4' energy: -85.692 flat angles P-C4'-P energy: -61.089 tors. eta vs tors. theta energy: -48.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -921.976641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.976641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.976641 (E_RNA) where: Base-Base interactions energy: -576.149 where: short stacking energy: -260.908 Base-Backbone interact. energy: -0.792 local terms energy: -345.035238 where: bonds (distance) C4'-P energy: -70.033 bonds (distance) P-C4' energy: -83.529 flat angles C4'-P-C4' energy: -82.743 flat angles P-C4'-P energy: -54.964 tors. eta vs tors. theta energy: -53.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -578.448752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.448752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.448752 (E_RNA) where: Base-Base interactions energy: -297.693 where: short stacking energy: -176.579 Base-Backbone interact. energy: -2.025 local terms energy: -278.731130 where: bonds (distance) C4'-P energy: -76.189 bonds (distance) P-C4' energy: -74.633 flat angles C4'-P-C4' energy: -70.221 flat angles P-C4'-P energy: -52.211 tors. eta vs tors. theta energy: -5.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -562.959382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.959382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.959382 (E_RNA) where: Base-Base interactions energy: -288.401 where: short stacking energy: -177.251 Base-Backbone interact. energy: -1.541 local terms energy: -273.017188 where: bonds (distance) C4'-P energy: -53.782 bonds (distance) P-C4' energy: -81.970 flat angles C4'-P-C4' energy: -79.505 flat angles P-C4'-P energy: -49.882 tors. eta vs tors. theta energy: -7.879 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: 8 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -499.833482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.833482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.833482 (E_RNA) where: Base-Base interactions energy: -214.719 where: short stacking energy: -124.666 Base-Backbone interact. energy: 0.130 local terms energy: -285.244575 where: bonds (distance) C4'-P energy: -85.889 bonds (distance) P-C4' energy: -79.018 flat angles C4'-P-C4' energy: -77.387 flat angles P-C4'-P energy: -48.992 tors. eta vs tors. theta energy: 6.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1527.544884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.544884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.544884 (E_RNA) where: Base-Base interactions energy: -1022.889 where: short stacking energy: -472.046 Base-Backbone interact. energy: -1.930 local terms energy: -502.725573 where: bonds (distance) C4'-P energy: -94.582 bonds (distance) P-C4' energy: -109.451 flat angles C4'-P-C4' energy: -103.608 flat angles P-C4'-P energy: -75.522 tors. eta vs tors. theta energy: -119.563 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: 5 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1454.311598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.311598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.311598 (E_RNA) where: Base-Base interactions energy: -983.971 where: short stacking energy: -458.928 Base-Backbone interact. energy: -1.009 local terms energy: -469.331595 where: bonds (distance) C4'-P energy: -93.655 bonds (distance) P-C4' energy: -76.998 flat angles C4'-P-C4' energy: -99.313 flat angles P-C4'-P energy: -61.498 tors. eta vs tors. theta energy: -137.868 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: 2 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1319.617568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.617568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.617568 (E_RNA) where: Base-Base interactions energy: -867.158 where: short stacking energy: -379.011 Base-Backbone interact. energy: -1.281 local terms energy: -451.178384 where: bonds (distance) C4'-P energy: -82.647 bonds (distance) P-C4' energy: -87.287 flat angles C4'-P-C4' energy: -96.931 flat angles P-C4'-P energy: -69.548 tors. eta vs tors. theta energy: -114.765 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: 3 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1194.980105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.980105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.980105 (E_RNA) where: Base-Base interactions energy: -767.481 where: short stacking energy: -348.854 Base-Backbone interact. energy: 1.552 local terms energy: -429.051609 where: bonds (distance) C4'-P energy: -90.074 bonds (distance) P-C4' energy: -78.471 flat angles C4'-P-C4' energy: -98.263 flat angles P-C4'-P energy: -68.712 tors. eta vs tors. theta energy: -93.531 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: 7 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -1162.705806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.705806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.705806 (E_RNA) where: Base-Base interactions energy: -748.404 where: short stacking energy: -352.249 Base-Backbone interact. energy: -1.276 local terms energy: -413.026363 where: bonds (distance) C4'-P energy: -65.379 bonds (distance) P-C4' energy: -103.592 flat angles C4'-P-C4' energy: -79.680 flat angles P-C4'-P energy: -61.620 tors. eta vs tors. theta energy: -102.755 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: 6, replica: 6 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -960.221363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.221363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.221363 (E_RNA) where: Base-Base interactions energy: -602.920 where: short stacking energy: -267.955 Base-Backbone interact. energy: -3.511 local terms energy: -353.790818 where: bonds (distance) C4'-P energy: -86.586 bonds (distance) P-C4' energy: -84.465 flat angles C4'-P-C4' energy: -71.872 flat angles P-C4'-P energy: -39.930 tors. eta vs tors. theta energy: -70.938 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: 296 Temperature: 1.200000 Total energy: -874.309886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.309886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.309886 (E_RNA) where: Base-Base interactions energy: -527.399 where: short stacking energy: -236.339 Base-Backbone interact. energy: -1.869 local terms energy: -345.041243 where: bonds (distance) C4'-P energy: -77.162 bonds (distance) P-C4' energy: -93.226 flat angles C4'-P-C4' energy: -78.745 flat angles P-C4'-P energy: -58.720 tors. eta vs tors. theta energy: -37.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -595.342765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.342765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.342765 (E_RNA) where: Base-Base interactions energy: -284.470 where: short stacking energy: -180.262 Base-Backbone interact. energy: -1.887 local terms energy: -308.985418 where: bonds (distance) C4'-P energy: -82.777 bonds (distance) P-C4' energy: -90.937 flat angles C4'-P-C4' energy: -79.728 flat angles P-C4'-P energy: -47.671 tors. eta vs tors. theta energy: -7.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -563.068420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.068420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.068420 (E_RNA) where: Base-Base interactions energy: -286.567 where: short stacking energy: -136.015 Base-Backbone interact. energy: 1.515 local terms energy: -278.016139 where: bonds (distance) C4'-P energy: -82.848 bonds (distance) P-C4' energy: -94.637 flat angles C4'-P-C4' energy: -55.658 flat angles P-C4'-P energy: -51.893 tors. eta vs tors. theta energy: 7.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -523.410763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.410763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.410763 (E_RNA) where: Base-Base interactions energy: -246.484 where: short stacking energy: -156.248 Base-Backbone interact. energy: -0.272 local terms energy: -276.655562 where: bonds (distance) C4'-P energy: -82.479 bonds (distance) P-C4' energy: -70.937 flat angles C4'-P-C4' energy: -75.977 flat angles P-C4'-P energy: -46.302 tors. eta vs tors. theta energy: -0.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1516.710728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.710728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.710728 (E_RNA) where: Base-Base interactions energy: -1017.304 where: short stacking energy: -453.967 Base-Backbone interact. energy: -1.463 local terms energy: -497.943303 where: bonds (distance) C4'-P energy: -99.702 bonds (distance) P-C4' energy: -102.916 flat angles C4'-P-C4' energy: -107.147 flat angles P-C4'-P energy: -69.552 tors. eta vs tors. theta energy: -118.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1465.574746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.574746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.574746 (E_RNA) where: Base-Base interactions energy: -968.485 where: short stacking energy: -445.897 Base-Backbone interact. energy: -0.609 local terms energy: -496.480979 where: bonds (distance) C4'-P energy: -92.276 bonds (distance) P-C4' energy: -96.923 flat angles C4'-P-C4' energy: -103.617 flat angles P-C4'-P energy: -65.914 tors. eta vs tors. theta energy: -137.751 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: 297 Temperature: 1.000000 Total energy: -1339.021374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.021374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.021374 (E_RNA) where: Base-Base interactions energy: -873.542 where: short stacking energy: -383.796 Base-Backbone interact. energy: 1.878 local terms energy: -467.356683 where: bonds (distance) C4'-P energy: -93.978 bonds (distance) P-C4' energy: -96.883 flat angles C4'-P-C4' energy: -92.806 flat angles P-C4'-P energy: -75.308 tors. eta vs tors. theta energy: -108.381 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: 3 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1191.835807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.835807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.835807 (E_RNA) where: Base-Base interactions energy: -769.989 where: short stacking energy: -353.727 Base-Backbone interact. energy: -1.951 local terms energy: -419.895842 where: bonds (distance) C4'-P energy: -87.457 bonds (distance) P-C4' energy: -97.247 flat angles C4'-P-C4' energy: -87.773 flat angles P-C4'-P energy: -60.693 tors. eta vs tors. theta energy: -86.726 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: 7 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -1129.899577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.899577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.899577 (E_RNA) where: Base-Base interactions energy: -706.750 where: short stacking energy: -351.957 Base-Backbone interact. energy: 0.565 local terms energy: -423.714324 where: bonds (distance) C4'-P energy: -96.059 bonds (distance) P-C4' energy: -82.718 flat angles C4'-P-C4' energy: -98.478 flat angles P-C4'-P energy: -59.431 tors. eta vs tors. theta energy: -87.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -976.155547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.155547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.155547 (E_RNA) where: Base-Base interactions energy: -617.309 where: short stacking energy: -290.355 Base-Backbone interact. energy: -0.651 local terms energy: -358.195668 where: bonds (distance) C4'-P energy: -73.764 bonds (distance) P-C4' energy: -79.330 flat angles C4'-P-C4' energy: -83.036 flat angles P-C4'-P energy: -65.809 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: 10 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -916.497161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.497161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.497161 (E_RNA) where: Base-Base interactions energy: -553.596 where: short stacking energy: -268.657 Base-Backbone interact. energy: 0.249 local terms energy: -363.149529 where: bonds (distance) C4'-P energy: -75.553 bonds (distance) P-C4' energy: -90.568 flat angles C4'-P-C4' energy: -87.557 flat angles P-C4'-P energy: -51.062 tors. eta vs tors. theta energy: -58.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -633.512576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.512576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.512576 (E_RNA) where: Base-Base interactions energy: -350.471 where: short stacking energy: -191.840 Base-Backbone interact. energy: 0.920 local terms energy: -283.961570 where: bonds (distance) C4'-P energy: -78.043 bonds (distance) P-C4' energy: -83.991 flat angles C4'-P-C4' energy: -72.103 flat angles P-C4'-P energy: -20.947 tors. eta vs tors. theta energy: -28.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -535.526132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.526132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.526132 (E_RNA) where: Base-Base interactions energy: -249.233 where: short stacking energy: -146.598 Base-Backbone interact. energy: -0.256 local terms energy: -286.037284 where: bonds (distance) C4'-P energy: -91.125 bonds (distance) P-C4' energy: -73.810 flat angles C4'-P-C4' energy: -48.052 flat angles P-C4'-P energy: -53.979 tors. eta vs tors. theta energy: -19.072 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: 10, replica: 8 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -496.597115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.597115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.597115 (E_RNA) where: Base-Base interactions energy: -207.658 where: short stacking energy: -123.254 Base-Backbone interact. energy: -3.940 local terms energy: -284.999033 where: bonds (distance) C4'-P energy: -89.353 bonds (distance) P-C4' energy: -94.381 flat angles C4'-P-C4' energy: -75.112 flat angles P-C4'-P energy: -36.385 tors. eta vs tors. theta energy: 10.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1524.575830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.575830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.575830 (E_RNA) where: Base-Base interactions energy: -994.811 where: short stacking energy: -466.853 Base-Backbone interact. energy: -1.562 local terms energy: -528.202781 where: bonds (distance) C4'-P energy: -96.843 bonds (distance) P-C4' energy: -103.282 flat angles C4'-P-C4' energy: -109.075 flat angles P-C4'-P energy: -85.683 tors. eta vs tors. theta energy: -133.319 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: 2, replica: 9 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1460.186588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.186588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.186588 (E_RNA) where: Base-Base interactions energy: -991.481 where: short stacking energy: -416.480 Base-Backbone interact. energy: 1.359 local terms energy: -470.064643 where: bonds (distance) C4'-P energy: -80.288 bonds (distance) P-C4' energy: -103.843 flat angles C4'-P-C4' energy: -100.604 flat angles P-C4'-P energy: -75.404 tors. eta vs tors. theta energy: -109.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1307.035964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.035964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.035964 (E_RNA) where: Base-Base interactions energy: -870.599 where: short stacking energy: -399.996 Base-Backbone interact. energy: -2.095 local terms energy: -434.342394 where: bonds (distance) C4'-P energy: -73.826 bonds (distance) P-C4' energy: -99.335 flat angles C4'-P-C4' energy: -87.439 flat angles P-C4'-P energy: -74.155 tors. eta vs tors. theta energy: -99.588 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: 4, replica: 3 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -1227.655375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.655375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.655375 (E_RNA) where: Base-Base interactions energy: -793.866 where: short stacking energy: -387.183 Base-Backbone interact. energy: 3.730 local terms energy: -437.519410 where: bonds (distance) C4'-P energy: -75.339 bonds (distance) P-C4' energy: -97.953 flat angles C4'-P-C4' energy: -93.010 flat angles P-C4'-P energy: -64.992 tors. eta vs tors. theta energy: -106.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -1114.071364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.071364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.071364 (E_RNA) where: Base-Base interactions energy: -712.932 where: short stacking energy: -349.158 Base-Backbone interact. energy: -0.625 local terms energy: -400.514154 where: bonds (distance) C4'-P energy: -80.745 bonds (distance) P-C4' energy: -87.610 flat angles C4'-P-C4' energy: -97.888 flat angles P-C4'-P energy: -61.213 tors. eta vs tors. theta energy: -73.058 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: 298 Temperature: 1.150000 Total energy: -902.954901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.954901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.954901 (E_RNA) where: Base-Base interactions energy: -541.072 where: short stacking energy: -257.190 Base-Backbone interact. energy: 3.547 local terms energy: -365.430061 where: bonds (distance) C4'-P energy: -87.837 bonds (distance) P-C4' energy: -84.775 flat angles C4'-P-C4' energy: -86.507 flat angles P-C4'-P energy: -58.877 tors. eta vs tors. theta energy: -47.435 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: 7, replica: 10 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -922.346650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.346650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.346650 (E_RNA) where: Base-Base interactions energy: -566.294 where: short stacking energy: -262.135 Base-Backbone interact. energy: -0.521 local terms energy: -355.531833 where: bonds (distance) C4'-P energy: -77.954 bonds (distance) P-C4' energy: -73.112 flat angles C4'-P-C4' energy: -97.922 flat angles P-C4'-P energy: -58.858 tors. eta vs tors. theta energy: -47.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -668.799081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.799081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.799081 (E_RNA) where: Base-Base interactions energy: -344.941 where: short stacking energy: -184.738 Base-Backbone interact. energy: 0.501 local terms energy: -324.359593 where: bonds (distance) C4'-P energy: -92.625 bonds (distance) P-C4' energy: -86.730 flat angles C4'-P-C4' energy: -69.227 flat angles P-C4'-P energy: -57.054 tors. eta vs tors. theta energy: -18.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -525.846762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.846762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.846762 (E_RNA) where: Base-Base interactions energy: -248.809 where: short stacking energy: -151.148 Base-Backbone interact. energy: 4.275 local terms energy: -281.312583 where: bonds (distance) C4'-P energy: -91.239 bonds (distance) P-C4' energy: -85.536 flat angles C4'-P-C4' energy: -74.138 flat angles P-C4'-P energy: -31.708 tors. eta vs tors. theta energy: 1.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -506.033894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.033894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.033894 (E_RNA) where: Base-Base interactions energy: -256.948 where: short stacking energy: -160.676 Base-Backbone interact. energy: 0.670 local terms energy: -249.756199 where: bonds (distance) C4'-P energy: -65.454 bonds (distance) P-C4' energy: -82.473 flat angles C4'-P-C4' energy: -60.288 flat angles P-C4'-P energy: -38.381 tors. eta vs tors. theta energy: -3.160 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: 5 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1515.800096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.800096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.800096 (E_RNA) where: Base-Base interactions energy: -1019.663 where: short stacking energy: -481.821 Base-Backbone interact. energy: -0.790 local terms energy: -495.347652 where: bonds (distance) C4'-P energy: -94.450 bonds (distance) P-C4' energy: -84.271 flat angles C4'-P-C4' energy: -99.531 flat angles P-C4'-P energy: -78.378 tors. eta vs tors. theta energy: -138.717 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: 2, replica: 9 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1474.735573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.735573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.735573 (E_RNA) where: Base-Base interactions energy: -999.861 where: short stacking energy: -422.879 Base-Backbone interact. energy: -8.606 local terms energy: -466.268883 where: bonds (distance) C4'-P energy: -84.507 bonds (distance) P-C4' energy: -94.206 flat angles C4'-P-C4' energy: -106.198 flat angles P-C4'-P energy: -63.364 tors. eta vs tors. theta energy: -117.994 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: 2 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1296.276176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.276176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.276176 (E_RNA) where: Base-Base interactions energy: -849.837 where: short stacking energy: -382.977 Base-Backbone interact. energy: -2.685 local terms energy: -443.754269 where: bonds (distance) C4'-P energy: -79.582 bonds (distance) P-C4' energy: -90.027 flat angles C4'-P-C4' energy: -100.526 flat angles P-C4'-P energy: -64.209 tors. eta vs tors. theta energy: -109.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -1231.539493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.539493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.539493 (E_RNA) where: Base-Base interactions energy: -793.699 where: short stacking energy: -377.009 Base-Backbone interact. energy: -1.752 local terms energy: -436.087850 where: bonds (distance) C4'-P energy: -92.386 bonds (distance) P-C4' energy: -76.572 flat angles C4'-P-C4' energy: -97.241 flat angles P-C4'-P energy: -64.516 tors. eta vs tors. theta energy: -105.374 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: 7 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -1118.079119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.079119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.079119 (E_RNA) where: Base-Base interactions energy: -688.292 where: short stacking energy: -329.498 Base-Backbone interact. energy: -1.863 local terms energy: -427.924601 where: bonds (distance) C4'-P energy: -95.753 bonds (distance) P-C4' energy: -89.737 flat angles C4'-P-C4' energy: -93.799 flat angles P-C4'-P energy: -64.465 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: 10 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -952.877947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.877947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.877947 (E_RNA) where: Base-Base interactions energy: -572.339 where: short stacking energy: -287.648 Base-Backbone interact. energy: -2.672 local terms energy: -377.866885 where: bonds (distance) C4'-P energy: -81.889 bonds (distance) P-C4' energy: -101.759 flat angles C4'-P-C4' energy: -79.443 flat angles P-C4'-P energy: -47.814 tors. eta vs tors. theta energy: -66.962 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: 6 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -931.422410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.422410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.422410 (E_RNA) where: Base-Base interactions energy: -597.230 where: short stacking energy: -278.236 Base-Backbone interact. energy: -0.863 local terms energy: -333.329430 where: bonds (distance) C4'-P energy: -77.568 bonds (distance) P-C4' energy: -77.629 flat angles C4'-P-C4' energy: -78.290 flat angles P-C4'-P energy: -50.524 tors. eta vs tors. theta energy: -49.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -639.008431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.008431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.008431 (E_RNA) where: Base-Base interactions energy: -328.293 where: short stacking energy: -180.167 Base-Backbone interact. energy: -1.632 local terms energy: -309.083140 where: bonds (distance) C4'-P energy: -98.189 bonds (distance) P-C4' energy: -93.072 flat angles C4'-P-C4' energy: -76.830 flat angles P-C4'-P energy: -38.369 tors. eta vs tors. theta energy: -2.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -504.190458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.190458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.190458 (E_RNA) where: Base-Base interactions energy: -232.631 where: short stacking energy: -136.506 Base-Backbone interact. energy: 2.925 local terms energy: -274.484315 where: bonds (distance) C4'-P energy: -81.982 bonds (distance) P-C4' energy: -92.081 flat angles C4'-P-C4' energy: -65.143 flat angles P-C4'-P energy: -37.070 tors. eta vs tors. theta energy: 1.792 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: 1 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -492.432270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.432270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.432270 (E_RNA) where: Base-Base interactions energy: -239.618 where: short stacking energy: -141.529 Base-Backbone interact. energy: 2.564 local terms energy: -255.378730 where: bonds (distance) C4'-P energy: -66.309 bonds (distance) P-C4' energy: -93.100 flat angles C4'-P-C4' energy: -73.893 flat angles P-C4'-P energy: -31.647 tors. eta vs tors. theta energy: 9.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1524.782613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.782613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.782613 (E_RNA) where: Base-Base interactions energy: -1013.901 where: short stacking energy: -474.728 Base-Backbone interact. energy: -0.898 local terms energy: -509.984050 where: bonds (distance) C4'-P energy: -104.267 bonds (distance) P-C4' energy: -97.509 flat angles C4'-P-C4' energy: -97.692 flat angles P-C4'-P energy: -73.650 tors. eta vs tors. theta energy: -136.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1492.648071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.648071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.648071 (E_RNA) where: Base-Base interactions energy: -1003.987 where: short stacking energy: -455.884 Base-Backbone interact. energy: -2.920 local terms energy: -485.741028 where: bonds (distance) C4'-P energy: -92.268 bonds (distance) P-C4' energy: -87.911 flat angles C4'-P-C4' energy: -108.093 flat angles P-C4'-P energy: -68.221 tors. eta vs tors. theta energy: -129.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -1315.753831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.753831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.753831 (E_RNA) where: Base-Base interactions energy: -848.765 where: short stacking energy: -394.427 Base-Backbone interact. energy: -1.627 local terms energy: -465.362335 where: bonds (distance) C4'-P energy: -94.599 bonds (distance) P-C4' energy: -99.821 flat angles C4'-P-C4' energy: -104.481 flat angles P-C4'-P energy: -55.072 tors. eta vs tors. theta energy: -111.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1205.238407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.238407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.238407 (E_RNA) where: Base-Base interactions energy: -789.990 where: short stacking energy: -379.680 Base-Backbone interact. energy: -0.019 local terms energy: -415.229970 where: bonds (distance) C4'-P energy: -92.947 bonds (distance) P-C4' energy: -71.425 flat angles C4'-P-C4' energy: -107.336 flat angles P-C4'-P energy: -52.681 tors. eta vs tors. theta energy: -90.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1109.874693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.874693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.874693 (E_RNA) where: Base-Base interactions energy: -707.672 where: short stacking energy: -314.137 Base-Backbone interact. energy: -3.054 local terms energy: -399.148070 where: bonds (distance) C4'-P energy: -72.108 bonds (distance) P-C4' energy: -88.631 flat angles C4'-P-C4' energy: -97.049 flat angles P-C4'-P energy: -65.550 tors. eta vs tors. theta energy: -75.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -969.441429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.441429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.441429 (E_RNA) where: Base-Base interactions energy: -596.737 where: short stacking energy: -284.725 Base-Backbone interact. energy: -1.869 local terms energy: -370.835037 where: bonds (distance) C4'-P energy: -74.431 bonds (distance) P-C4' energy: -97.481 flat angles C4'-P-C4' energy: -81.568 flat angles P-C4'-P energy: -45.080 tors. eta vs tors. theta energy: -72.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -923.838922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.838922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.838922 (E_RNA) where: Base-Base interactions energy: -570.496 where: short stacking energy: -280.023 Base-Backbone interact. energy: -1.077 local terms energy: -352.265917 where: bonds (distance) C4'-P energy: -74.355 bonds (distance) P-C4' energy: -76.445 flat angles C4'-P-C4' energy: -86.327 flat angles P-C4'-P energy: -52.557 tors. eta vs tors. theta energy: -62.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -625.960047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.960047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.960047 (E_RNA) where: Base-Base interactions energy: -311.781 where: short stacking energy: -191.294 Base-Backbone interact. energy: -0.859 local terms energy: -313.320111 where: bonds (distance) C4'-P energy: -83.391 bonds (distance) P-C4' energy: -88.577 flat angles C4'-P-C4' energy: -75.628 flat angles P-C4'-P energy: -42.654 tors. eta vs tors. theta energy: -23.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -534.398545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.398545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.398545 (E_RNA) where: Base-Base interactions energy: -260.803 where: short stacking energy: -161.645 Base-Backbone interact. energy: -2.595 local terms energy: -271.001033 where: bonds (distance) C4'-P energy: -90.149 bonds (distance) P-C4' energy: -66.899 flat angles C4'-P-C4' energy: -67.114 flat angles P-C4'-P energy: -40.332 tors. eta vs tors. theta energy: -6.506 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: 1 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -468.336959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.336959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.336959 (E_RNA) where: Base-Base interactions energy: -203.654 where: short stacking energy: -115.284 Base-Backbone interact. energy: 1.325 local terms energy: -266.008661 where: bonds (distance) C4'-P energy: -85.192 bonds (distance) P-C4' energy: -87.023 flat angles C4'-P-C4' energy: -69.878 flat angles P-C4'-P energy: -30.566 tors. eta vs tors. theta energy: 6.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1510.909012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.909012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.909012 (E_RNA) where: Base-Base interactions energy: -1018.269 where: short stacking energy: -472.025 Base-Backbone interact. energy: -2.091 local terms energy: -490.548270 where: bonds (distance) C4'-P energy: -94.941 bonds (distance) P-C4' energy: -81.340 flat angles C4'-P-C4' energy: -107.678 flat angles P-C4'-P energy: -69.753 tors. eta vs tors. theta energy: -136.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1478.698209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.698209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.698209 (E_RNA) where: Base-Base interactions energy: -1001.047 where: short stacking energy: -449.435 Base-Backbone interact. energy: -0.609 local terms energy: -477.042502 where: bonds (distance) C4'-P energy: -96.527 bonds (distance) P-C4' energy: -84.960 flat angles C4'-P-C4' energy: -103.810 flat angles P-C4'-P energy: -66.294 tors. eta vs tors. theta energy: -125.450 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: 3, replica: 2 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1350.423952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.423952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.423952 (E_RNA) where: Base-Base interactions energy: -897.719 where: short stacking energy: -429.554 Base-Backbone interact. energy: -0.592 local terms energy: -452.112492 where: bonds (distance) C4'-P energy: -84.911 bonds (distance) P-C4' energy: -81.528 flat angles C4'-P-C4' energy: -112.542 flat angles P-C4'-P energy: -54.490 tors. eta vs tors. theta energy: -118.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1194.627841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.627841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.627841 (E_RNA) where: Base-Base interactions energy: -757.910 where: short stacking energy: -365.241 Base-Backbone interact. energy: -1.212 local terms energy: -435.506484 where: bonds (distance) C4'-P energy: -95.393 bonds (distance) P-C4' energy: -93.047 flat angles C4'-P-C4' energy: -99.495 flat angles P-C4'-P energy: -55.448 tors. eta vs tors. theta energy: -92.124 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: 5, replica: 7 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -1123.042240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.042240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.042240 (E_RNA) where: Base-Base interactions energy: -720.871 where: short stacking energy: -360.472 Base-Backbone interact. energy: -0.094 local terms energy: -402.077142 where: bonds (distance) C4'-P energy: -69.909 bonds (distance) P-C4' energy: -83.810 flat angles C4'-P-C4' energy: -94.009 flat angles P-C4'-P energy: -66.413 tors. eta vs tors. theta energy: -87.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -932.668879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.668879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.668879 (E_RNA) where: Base-Base interactions energy: -569.866 where: short stacking energy: -280.210 Base-Backbone interact. energy: -0.509 local terms energy: -362.293527 where: bonds (distance) C4'-P energy: -90.902 bonds (distance) P-C4' energy: -88.632 flat angles C4'-P-C4' energy: -77.062 flat angles P-C4'-P energy: -51.454 tors. eta vs tors. theta energy: -54.243 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: 301 Temperature: 1.200000 Total energy: -882.180141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.180141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.180141 (E_RNA) where: Base-Base interactions energy: -528.894 where: short stacking energy: -275.026 Base-Backbone interact. energy: -1.894 local terms energy: -351.391936 where: bonds (distance) C4'-P energy: -84.888 bonds (distance) P-C4' energy: -73.686 flat angles C4'-P-C4' energy: -88.004 flat angles P-C4'-P energy: -58.537 tors. eta vs tors. theta energy: -46.277 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: 8, replica: 4 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -641.808196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.808196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.808196 (E_RNA) where: Base-Base interactions energy: -332.444 where: short stacking energy: -188.507 Base-Backbone interact. energy: -2.128 local terms energy: -307.236360 where: bonds (distance) C4'-P energy: -84.580 bonds (distance) P-C4' energy: -99.043 flat angles C4'-P-C4' energy: -64.101 flat angles P-C4'-P energy: -51.921 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: 9, replica: 8 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -582.559575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.559575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.559575 (E_RNA) where: Base-Base interactions energy: -287.690 where: short stacking energy: -174.564 Base-Backbone interact. energy: 2.336 local terms energy: -297.205607 where: bonds (distance) C4'-P energy: -81.422 bonds (distance) P-C4' energy: -78.369 flat angles C4'-P-C4' energy: -82.406 flat angles P-C4'-P energy: -32.385 tors. eta vs tors. theta energy: -22.624 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: 1 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -537.962067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.962067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.962067 (E_RNA) where: Base-Base interactions energy: -271.189 where: short stacking energy: -153.297 Base-Backbone interact. energy: 6.483 local terms energy: -273.255958 where: bonds (distance) C4'-P energy: -80.295 bonds (distance) P-C4' energy: -81.313 flat angles C4'-P-C4' energy: -64.031 flat angles P-C4'-P energy: -31.953 tors. eta vs tors. theta energy: -15.663 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: 9 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1519.801560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.801560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.801560 (E_RNA) where: Base-Base interactions energy: -1028.820 where: short stacking energy: -457.253 Base-Backbone interact. energy: -3.111 local terms energy: -487.871065 where: bonds (distance) C4'-P energy: -75.474 bonds (distance) P-C4' energy: -100.385 flat angles C4'-P-C4' energy: -104.558 flat angles P-C4'-P energy: -78.269 tors. eta vs tors. theta energy: -129.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1472.340835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.340835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.340835 (E_RNA) where: Base-Base interactions energy: -1002.652 where: short stacking energy: -466.529 Base-Backbone interact. energy: 1.150 local terms energy: -470.839404 where: bonds (distance) C4'-P energy: -90.615 bonds (distance) P-C4' energy: -83.279 flat angles C4'-P-C4' energy: -103.181 flat angles P-C4'-P energy: -59.057 tors. eta vs tors. theta energy: -134.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -1370.192745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.192745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.192745 (E_RNA) where: Base-Base interactions energy: -892.494 where: short stacking energy: -415.870 Base-Backbone interact. energy: 0.257 local terms energy: -477.955699 where: bonds (distance) C4'-P energy: -84.689 bonds (distance) P-C4' energy: -90.900 flat angles C4'-P-C4' energy: -102.766 flat angles P-C4'-P energy: -67.815 tors. eta vs tors. theta energy: -131.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1218.277447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.277447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.277447 (E_RNA) where: Base-Base interactions energy: -777.396 where: short stacking energy: -363.349 Base-Backbone interact. energy: -2.024 local terms energy: -438.857605 where: bonds (distance) C4'-P energy: -96.601 bonds (distance) P-C4' energy: -95.094 flat angles C4'-P-C4' energy: -95.123 flat angles P-C4'-P energy: -66.601 tors. eta vs tors. theta energy: -85.440 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: 7 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1162.852123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.852123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.852123 (E_RNA) where: Base-Base interactions energy: -744.942 where: short stacking energy: -364.202 Base-Backbone interact. energy: 0.229 local terms energy: -418.139352 where: bonds (distance) C4'-P energy: -90.987 bonds (distance) P-C4' energy: -80.008 flat angles C4'-P-C4' energy: -86.864 flat angles P-C4'-P energy: -53.147 tors. eta vs tors. theta energy: -107.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -933.143294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.143294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.143294 (E_RNA) where: Base-Base interactions energy: -576.821 where: short stacking energy: -282.823 Base-Backbone interact. energy: 1.552 local terms energy: -357.874538 where: bonds (distance) C4'-P energy: -88.128 bonds (distance) P-C4' energy: -83.219 flat angles C4'-P-C4' energy: -74.730 flat angles P-C4'-P energy: -48.003 tors. eta vs tors. theta energy: -63.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -860.443132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.443132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.443132 (E_RNA) where: Base-Base interactions energy: -530.376 where: short stacking energy: -274.551 Base-Backbone interact. energy: -1.537 local terms energy: -328.530266 where: bonds (distance) C4'-P energy: -76.629 bonds (distance) P-C4' energy: -83.576 flat angles C4'-P-C4' energy: -66.033 flat angles P-C4'-P energy: -51.315 tors. eta vs tors. theta energy: -50.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -673.362713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.362713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.362713 (E_RNA) where: Base-Base interactions energy: -352.627 where: short stacking energy: -205.240 Base-Backbone interact. energy: 0.342 local terms energy: -321.077577 where: bonds (distance) C4'-P energy: -76.900 bonds (distance) P-C4' energy: -102.446 flat angles C4'-P-C4' energy: -70.102 flat angles P-C4'-P energy: -43.936 tors. eta vs tors. theta energy: -27.693 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: 8 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -554.867373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.867373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.867373 (E_RNA) where: Base-Base interactions energy: -292.705 where: short stacking energy: -181.405 Base-Backbone interact. energy: 3.609 local terms energy: -265.770916 where: bonds (distance) C4'-P energy: -71.534 bonds (distance) P-C4' energy: -80.423 flat angles C4'-P-C4' energy: -58.473 flat angles P-C4'-P energy: -45.694 tors. eta vs tors. theta energy: -9.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -529.376231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.376231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.376231 (E_RNA) where: Base-Base interactions energy: -264.397 where: short stacking energy: -140.029 Base-Backbone interact. energy: 6.681 local terms energy: -271.660913 where: bonds (distance) C4'-P energy: -70.381 bonds (distance) P-C4' energy: -89.400 flat angles C4'-P-C4' energy: -62.301 flat angles P-C4'-P energy: -53.624 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: 9 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1492.985465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.985465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.985465 (E_RNA) where: Base-Base interactions energy: -996.515 where: short stacking energy: -450.373 Base-Backbone interact. energy: -0.925 local terms energy: -495.544678 where: bonds (distance) C4'-P energy: -95.018 bonds (distance) P-C4' energy: -104.131 flat angles C4'-P-C4' energy: -98.653 flat angles P-C4'-P energy: -76.536 tors. eta vs tors. theta energy: -121.207 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: 5 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1460.357231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.357231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.357231 (E_RNA) where: Base-Base interactions energy: -960.649 where: short stacking energy: -439.077 Base-Backbone interact. energy: -3.850 local terms energy: -495.857448 where: bonds (distance) C4'-P energy: -96.293 bonds (distance) P-C4' energy: -98.011 flat angles C4'-P-C4' energy: -113.098 flat angles P-C4'-P energy: -59.914 tors. eta vs tors. theta energy: -128.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -1339.442594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.442594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.442594 (E_RNA) where: Base-Base interactions energy: -864.625 where: short stacking energy: -410.994 Base-Backbone interact. energy: 0.270 local terms energy: -475.087346 where: bonds (distance) C4'-P energy: -79.370 bonds (distance) P-C4' energy: -94.179 flat angles C4'-P-C4' energy: -115.133 flat angles P-C4'-P energy: -62.265 tors. eta vs tors. theta energy: -124.140 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: 3 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1162.904936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.904936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.904936 (E_RNA) where: Base-Base interactions energy: -752.617 where: short stacking energy: -367.273 Base-Backbone interact. energy: -2.190 local terms energy: -408.097938 where: bonds (distance) C4'-P energy: -87.438 bonds (distance) P-C4' energy: -90.618 flat angles C4'-P-C4' energy: -93.841 flat angles P-C4'-P energy: -52.195 tors. eta vs tors. theta energy: -84.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -1141.070759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.070759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.070759 (E_RNA) where: Base-Base interactions energy: -736.815 where: short stacking energy: -335.450 Base-Backbone interact. energy: -2.399 local terms energy: -401.856765 where: bonds (distance) C4'-P energy: -65.798 bonds (distance) P-C4' energy: -98.797 flat angles C4'-P-C4' energy: -90.077 flat angles P-C4'-P energy: -59.241 tors. eta vs tors. theta energy: -87.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -937.762762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.762762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.762762 (E_RNA) where: Base-Base interactions energy: -564.138 where: short stacking energy: -300.828 Base-Backbone interact. energy: 2.433 local terms energy: -376.057801 where: bonds (distance) C4'-P energy: -85.108 bonds (distance) P-C4' energy: -76.919 flat angles C4'-P-C4' energy: -98.728 flat angles P-C4'-P energy: -52.998 tors. eta vs tors. theta energy: -62.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -805.652698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.652698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.652698 (E_RNA) where: Base-Base interactions energy: -469.190 where: short stacking energy: -252.118 Base-Backbone interact. energy: 0.025 local terms energy: -336.488097 where: bonds (distance) C4'-P energy: -73.348 bonds (distance) P-C4' energy: -81.986 flat angles C4'-P-C4' energy: -80.217 flat angles P-C4'-P energy: -55.390 tors. eta vs tors. theta energy: -45.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -646.815890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.815890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.815890 (E_RNA) where: Base-Base interactions energy: -314.440 where: short stacking energy: -177.486 Base-Backbone interact. energy: -2.491 local terms energy: -329.884293 where: bonds (distance) C4'-P energy: -86.972 bonds (distance) P-C4' energy: -95.889 flat angles C4'-P-C4' energy: -86.931 flat angles P-C4'-P energy: -45.665 tors. eta vs tors. theta energy: -14.427 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: 8 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -541.073941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.073941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.073941 (E_RNA) where: Base-Base interactions energy: -255.115 where: short stacking energy: -162.067 Base-Backbone interact. energy: -1.846 local terms energy: -284.113331 where: bonds (distance) C4'-P energy: -75.242 bonds (distance) P-C4' energy: -85.674 flat angles C4'-P-C4' energy: -79.564 flat angles P-C4'-P energy: -45.386 tors. eta vs tors. theta energy: 1.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -501.753079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.753079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.753079 (E_RNA) where: Base-Base interactions energy: -246.528 where: short stacking energy: -142.626 Base-Backbone interact. energy: 2.468 local terms energy: -257.693665 where: bonds (distance) C4'-P energy: -70.776 bonds (distance) P-C4' energy: -74.159 flat angles C4'-P-C4' energy: -79.487 flat angles P-C4'-P energy: -35.500 tors. eta vs tors. theta energy: 2.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1536.857866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.857866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.857866 (E_RNA) where: Base-Base interactions energy: -1034.530 where: short stacking energy: -478.267 Base-Backbone interact. energy: 0.263 local terms energy: -502.590439 where: bonds (distance) C4'-P energy: -95.110 bonds (distance) P-C4' energy: -105.422 flat angles C4'-P-C4' energy: -99.848 flat angles P-C4'-P energy: -65.754 tors. eta vs tors. theta energy: -136.457 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: 5 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1453.355686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.355686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.355686 (E_RNA) where: Base-Base interactions energy: -952.749 where: short stacking energy: -437.909 Base-Backbone interact. energy: -1.000 local terms energy: -499.607215 where: bonds (distance) C4'-P energy: -97.253 bonds (distance) P-C4' energy: -95.846 flat angles C4'-P-C4' energy: -118.379 flat angles P-C4'-P energy: -64.246 tors. eta vs tors. theta energy: -123.883 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: 2 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1325.122643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.122643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.122643 (E_RNA) where: Base-Base interactions energy: -859.412 where: short stacking energy: -407.797 Base-Backbone interact. energy: -1.570 local terms energy: -464.140713 where: bonds (distance) C4'-P energy: -75.670 bonds (distance) P-C4' energy: -105.160 flat angles C4'-P-C4' energy: -99.486 flat angles P-C4'-P energy: -61.435 tors. eta vs tors. theta energy: -122.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -1229.612857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.612857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.612857 (E_RNA) where: Base-Base interactions energy: -780.129 where: short stacking energy: -377.527 Base-Backbone interact. energy: -2.183 local terms energy: -447.300983 where: bonds (distance) C4'-P energy: -88.458 bonds (distance) P-C4' energy: -86.029 flat angles C4'-P-C4' energy: -107.629 flat angles P-C4'-P energy: -64.121 tors. eta vs tors. theta energy: -101.063 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: 7 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -1117.659650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.659650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.659650 (E_RNA) where: Base-Base interactions energy: -720.828 where: short stacking energy: -329.655 Base-Backbone interact. energy: -0.999 local terms energy: -395.832668 where: bonds (distance) C4'-P energy: -96.969 bonds (distance) P-C4' energy: -79.316 flat angles C4'-P-C4' energy: -81.672 flat angles P-C4'-P energy: -54.082 tors. eta vs tors. theta energy: -83.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1002.566049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.566049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.566049 (E_RNA) where: Base-Base interactions energy: -602.255 where: short stacking energy: -287.976 Base-Backbone interact. energy: 0.721 local terms energy: -401.031887 where: bonds (distance) C4'-P energy: -79.305 bonds (distance) P-C4' energy: -97.152 flat angles C4'-P-C4' energy: -82.077 flat angles P-C4'-P energy: -65.573 tors. eta vs tors. theta energy: -76.924 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: 304 Temperature: 1.200000 Total energy: -835.420440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.420440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.420440 (E_RNA) where: Base-Base interactions energy: -494.256 where: short stacking energy: -241.613 Base-Backbone interact. energy: -1.185 local terms energy: -339.979124 where: bonds (distance) C4'-P energy: -71.677 bonds (distance) P-C4' energy: -92.994 flat angles C4'-P-C4' energy: -87.845 flat angles P-C4'-P energy: -43.602 tors. eta vs tors. theta energy: -43.861 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: 4 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -694.481174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.481174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.481174 (E_RNA) where: Base-Base interactions energy: -376.070 where: short stacking energy: -195.544 Base-Backbone interact. energy: 9.369 local terms energy: -327.780184 where: bonds (distance) C4'-P energy: -92.701 bonds (distance) P-C4' energy: -82.678 flat angles C4'-P-C4' energy: -78.470 flat angles P-C4'-P energy: -50.293 tors. eta vs tors. theta energy: -23.638 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: 1 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -620.448516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.448516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.448516 (E_RNA) where: Base-Base interactions energy: -318.080 where: short stacking energy: -160.843 Base-Backbone interact. energy: -0.764 local terms energy: -301.604079 where: bonds (distance) C4'-P energy: -74.362 bonds (distance) P-C4' energy: -101.027 flat angles C4'-P-C4' energy: -76.146 flat angles P-C4'-P energy: -47.085 tors. eta vs tors. theta energy: -2.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -508.240355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.240355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.240355 (E_RNA) where: Base-Base interactions energy: -220.521 where: short stacking energy: -144.282 Base-Backbone interact. energy: -0.673 local terms energy: -287.046706 where: bonds (distance) C4'-P energy: -78.131 bonds (distance) P-C4' energy: -82.208 flat angles C4'-P-C4' energy: -66.829 flat angles P-C4'-P energy: -47.812 tors. eta vs tors. theta energy: -12.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1520.465184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.465184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.465184 (E_RNA) where: Base-Base interactions energy: -1024.468 where: short stacking energy: -444.347 Base-Backbone interact. energy: -1.480 local terms energy: -494.517136 where: bonds (distance) C4'-P energy: -101.168 bonds (distance) P-C4' energy: -97.634 flat angles C4'-P-C4' energy: -109.308 flat angles P-C4'-P energy: -59.249 tors. eta vs tors. theta energy: -127.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1459.088109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.088109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.088109 (E_RNA) where: Base-Base interactions energy: -947.611 where: short stacking energy: -446.086 Base-Backbone interact. energy: -1.147 local terms energy: -510.329678 where: bonds (distance) C4'-P energy: -102.266 bonds (distance) P-C4' energy: -97.030 flat angles C4'-P-C4' energy: -102.899 flat angles P-C4'-P energy: -69.846 tors. eta vs tors. theta energy: -138.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1348.280019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.280019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.280019 (E_RNA) where: Base-Base interactions energy: -875.779 where: short stacking energy: -402.351 Base-Backbone interact. energy: -0.428 local terms energy: -472.072734 where: bonds (distance) C4'-P energy: -95.714 bonds (distance) P-C4' energy: -86.240 flat angles C4'-P-C4' energy: -104.162 flat angles P-C4'-P energy: -62.116 tors. eta vs tors. theta energy: -123.841 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: 3 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1240.785912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.785912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.785912 (E_RNA) where: Base-Base interactions energy: -785.698 where: short stacking energy: -391.499 Base-Backbone interact. energy: -0.410 local terms energy: -454.678167 where: bonds (distance) C4'-P energy: -90.283 bonds (distance) P-C4' energy: -86.451 flat angles C4'-P-C4' energy: -111.112 flat angles P-C4'-P energy: -60.711 tors. eta vs tors. theta energy: -106.122 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: 5, replica: 7 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -1125.771870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.771870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.771870 (E_RNA) where: Base-Base interactions energy: -709.844 where: short stacking energy: -352.694 Base-Backbone interact. energy: -2.097 local terms energy: -413.830668 where: bonds (distance) C4'-P energy: -87.420 bonds (distance) P-C4' energy: -94.435 flat angles C4'-P-C4' energy: -100.319 flat angles P-C4'-P energy: -56.030 tors. eta vs tors. theta energy: -75.627 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: 6 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -937.833925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.833925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.833925 (E_RNA) where: Base-Base interactions energy: -584.772 where: short stacking energy: -269.083 Base-Backbone interact. energy: -2.376 local terms energy: -350.684993 where: bonds (distance) C4'-P energy: -74.341 bonds (distance) P-C4' energy: -83.558 flat angles C4'-P-C4' energy: -80.577 flat angles P-C4'-P energy: -50.773 tors. eta vs tors. theta energy: -61.435 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: 7, replica: 10 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -797.356033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.356033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.356033 (E_RNA) where: Base-Base interactions energy: -488.841 where: short stacking energy: -257.415 Base-Backbone interact. energy: 0.306 local terms energy: -308.820592 where: bonds (distance) C4'-P energy: -75.039 bonds (distance) P-C4' energy: -85.799 flat angles C4'-P-C4' energy: -76.604 flat angles P-C4'-P energy: -35.077 tors. eta vs tors. theta energy: -36.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -679.419166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.419166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.419166 (E_RNA) where: Base-Base interactions energy: -373.973 where: short stacking energy: -211.283 Base-Backbone interact. energy: 1.852 local terms energy: -307.297739 where: bonds (distance) C4'-P energy: -78.861 bonds (distance) P-C4' energy: -81.887 flat angles C4'-P-C4' energy: -73.069 flat angles P-C4'-P energy: -53.292 tors. eta vs tors. theta energy: -20.189 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: 9, replica: 4 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -599.372363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.372363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.372363 (E_RNA) where: Base-Base interactions energy: -323.147 where: short stacking energy: -150.151 Base-Backbone interact. energy: -2.579 local terms energy: -273.646920 where: bonds (distance) C4'-P energy: -86.246 bonds (distance) P-C4' energy: -79.603 flat angles C4'-P-C4' energy: -53.098 flat angles P-C4'-P energy: -43.608 tors. eta vs tors. theta energy: -11.092 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: 10, replica: 8 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -494.777222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.777222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.777222 (E_RNA) where: Base-Base interactions energy: -190.007 where: short stacking energy: -119.592 Base-Backbone interact. energy: -4.000 local terms energy: -300.769965 where: bonds (distance) C4'-P energy: -82.008 bonds (distance) P-C4' energy: -87.497 flat angles C4'-P-C4' energy: -77.133 flat angles P-C4'-P energy: -56.195 tors. eta vs tors. theta energy: 2.062 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: 1, replica: 9 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1514.824012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.824012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.824012 (E_RNA) where: Base-Base interactions energy: -1035.327 where: short stacking energy: -476.673 Base-Backbone interact. energy: 0.845 local terms energy: -480.342335 where: bonds (distance) C4'-P energy: -101.880 bonds (distance) P-C4' energy: -83.686 flat angles C4'-P-C4' energy: -102.595 flat angles P-C4'-P energy: -54.678 tors. eta vs tors. theta energy: -137.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1428.375578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.375578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.375578 (E_RNA) where: Base-Base interactions energy: -967.428 where: short stacking energy: -446.267 Base-Backbone interact. energy: 6.060 local terms energy: -467.007810 where: bonds (distance) C4'-P energy: -93.408 bonds (distance) P-C4' energy: -84.721 flat angles C4'-P-C4' energy: -100.558 flat angles P-C4'-P energy: -71.594 tors. eta vs tors. theta energy: -116.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1308.819513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.819513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.819513 (E_RNA) where: Base-Base interactions energy: -841.308 where: short stacking energy: -375.414 Base-Backbone interact. energy: -1.001 local terms energy: -466.510995 where: bonds (distance) C4'-P energy: -95.641 bonds (distance) P-C4' energy: -105.572 flat angles C4'-P-C4' energy: -90.956 flat angles P-C4'-P energy: -60.265 tors. eta vs tors. theta energy: -114.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1212.727002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.727002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.727002 (E_RNA) where: Base-Base interactions energy: -777.329 where: short stacking energy: -377.098 Base-Backbone interact. energy: -0.734 local terms energy: -434.664065 where: bonds (distance) C4'-P energy: -84.567 bonds (distance) P-C4' energy: -79.254 flat angles C4'-P-C4' energy: -102.367 flat angles P-C4'-P energy: -71.055 tors. eta vs tors. theta energy: -97.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -1143.429689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.429689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.429689 (E_RNA) where: Base-Base interactions energy: -739.066 where: short stacking energy: -347.105 Base-Backbone interact. energy: -0.303 local terms energy: -404.060579 where: bonds (distance) C4'-P energy: -73.102 bonds (distance) P-C4' energy: -94.458 flat angles C4'-P-C4' energy: -92.953 flat angles P-C4'-P energy: -67.413 tors. eta vs tors. theta energy: -76.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -961.589590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.589590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.589590 (E_RNA) where: Base-Base interactions energy: -586.756 where: short stacking energy: -297.108 Base-Backbone interact. energy: 0.797 local terms energy: -375.630324 where: bonds (distance) C4'-P energy: -84.508 bonds (distance) P-C4' energy: -84.050 flat angles C4'-P-C4' energy: -89.339 flat angles P-C4'-P energy: -57.074 tors. eta vs tors. theta energy: -60.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -805.638953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.638953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.638953 (E_RNA) where: Base-Base interactions energy: -493.017 where: short stacking energy: -261.607 Base-Backbone interact. energy: -1.364 local terms energy: -311.257650 where: bonds (distance) C4'-P energy: -62.222 bonds (distance) P-C4' energy: -74.916 flat angles C4'-P-C4' energy: -71.724 flat angles P-C4'-P energy: -45.533 tors. eta vs tors. theta energy: -56.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -644.513772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.513772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.513772 (E_RNA) where: Base-Base interactions energy: -356.953 where: short stacking energy: -175.455 Base-Backbone interact. energy: -0.652 local terms energy: -286.908139 where: bonds (distance) C4'-P energy: -84.857 bonds (distance) P-C4' energy: -70.220 flat angles C4'-P-C4' energy: -62.841 flat angles P-C4'-P energy: -50.844 tors. eta vs tors. theta energy: -18.147 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: 306 Temperature: 1.300000 Total energy: -598.687057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.687057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.687057 (E_RNA) where: Base-Base interactions energy: -315.469 where: short stacking energy: -171.902 Base-Backbone interact. energy: 0.967 local terms energy: -284.184622 where: bonds (distance) C4'-P energy: -78.353 bonds (distance) P-C4' energy: -72.842 flat angles C4'-P-C4' energy: -74.154 flat angles P-C4'-P energy: -42.974 tors. eta vs tors. theta energy: -15.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -477.335417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.335417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.335417 (E_RNA) where: Base-Base interactions energy: -215.202 where: short stacking energy: -127.911 Base-Backbone interact. energy: 2.881 local terms energy: -265.014686 where: bonds (distance) C4'-P energy: -82.533 bonds (distance) P-C4' energy: -74.370 flat angles C4'-P-C4' energy: -76.043 flat angles P-C4'-P energy: -44.265 tors. eta vs tors. theta energy: 12.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1530.619464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.619464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.619464 (E_RNA) where: Base-Base interactions energy: -1021.909 where: short stacking energy: -444.357 Base-Backbone interact. energy: -4.107 local terms energy: -504.604287 where: bonds (distance) C4'-P energy: -92.751 bonds (distance) P-C4' energy: -102.201 flat angles C4'-P-C4' energy: -101.519 flat angles P-C4'-P energy: -69.181 tors. eta vs tors. theta energy: -138.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1467.896029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.896029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.896029 (E_RNA) where: Base-Base interactions energy: -971.126 where: short stacking energy: -441.854 Base-Backbone interact. energy: 0.448 local terms energy: -497.217740 where: bonds (distance) C4'-P energy: -96.640 bonds (distance) P-C4' energy: -92.744 flat angles C4'-P-C4' energy: -106.337 flat angles P-C4'-P energy: -73.554 tors. eta vs tors. theta energy: -127.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1340.728299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.728299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.728299 (E_RNA) where: Base-Base interactions energy: -864.224 where: short stacking energy: -396.039 Base-Backbone interact. energy: -1.476 local terms energy: -475.028322 where: bonds (distance) C4'-P energy: -99.100 bonds (distance) P-C4' energy: -91.130 flat angles C4'-P-C4' energy: -104.716 flat angles P-C4'-P energy: -56.635 tors. eta vs tors. theta energy: -123.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -1215.620486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.620486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.620486 (E_RNA) where: Base-Base interactions energy: -790.903 where: short stacking energy: -375.215 Base-Backbone interact. energy: -0.230 local terms energy: -424.487672 where: bonds (distance) C4'-P energy: -87.251 bonds (distance) P-C4' energy: -90.843 flat angles C4'-P-C4' energy: -100.069 flat angles P-C4'-P energy: -55.924 tors. eta vs tors. theta energy: -90.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -1114.477354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.477354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.477354 (E_RNA) where: Base-Base interactions energy: -702.738 where: short stacking energy: -331.305 Base-Backbone interact. energy: 3.460 local terms energy: -415.199070 where: bonds (distance) C4'-P energy: -84.245 bonds (distance) P-C4' energy: -82.445 flat angles C4'-P-C4' energy: -99.322 flat angles P-C4'-P energy: -64.566 tors. eta vs tors. theta energy: -84.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -994.217498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.217498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.217498 (E_RNA) where: Base-Base interactions energy: -608.298 where: short stacking energy: -289.111 Base-Backbone interact. energy: 1.351 local terms energy: -387.269933 where: bonds (distance) C4'-P energy: -84.803 bonds (distance) P-C4' energy: -83.382 flat angles C4'-P-C4' energy: -95.829 flat angles P-C4'-P energy: -54.761 tors. eta vs tors. theta energy: -68.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -803.237283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.237283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.237283 (E_RNA) where: Base-Base interactions energy: -462.130 where: short stacking energy: -226.655 Base-Backbone interact. energy: -3.539 local terms energy: -337.568553 where: bonds (distance) C4'-P energy: -72.524 bonds (distance) P-C4' energy: -87.788 flat angles C4'-P-C4' energy: -73.755 flat angles P-C4'-P energy: -53.198 tors. eta vs tors. theta energy: -50.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -654.988837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.988837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.988837 (E_RNA) where: Base-Base interactions energy: -330.026 where: short stacking energy: -191.541 Base-Backbone interact. energy: -0.516 local terms energy: -324.446888 where: bonds (distance) C4'-P energy: -78.483 bonds (distance) P-C4' energy: -93.625 flat angles C4'-P-C4' energy: -69.276 flat angles P-C4'-P energy: -50.136 tors. eta vs tors. theta energy: -32.926 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: 9, replica: 4 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -507.082084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.082084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.082084 (E_RNA) where: Base-Base interactions energy: -244.251 where: short stacking energy: -133.401 Base-Backbone interact. energy: -1.738 local terms energy: -261.092895 where: bonds (distance) C4'-P energy: -75.544 bonds (distance) P-C4' energy: -76.230 flat angles C4'-P-C4' energy: -73.683 flat angles P-C4'-P energy: -46.931 tors. eta vs tors. theta energy: 11.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -487.974396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.974396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.974396 (E_RNA) where: Base-Base interactions energy: -251.351 where: short stacking energy: -150.054 Base-Backbone interact. energy: 6.106 local terms energy: -242.729577 where: bonds (distance) C4'-P energy: -68.030 bonds (distance) P-C4' energy: -64.125 flat angles C4'-P-C4' energy: -79.769 flat angles P-C4'-P energy: -41.138 tors. eta vs tors. theta energy: 10.333 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: 9 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1564.771265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.771265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.771265 (E_RNA) where: Base-Base interactions energy: -1060.678 where: short stacking energy: -478.329 Base-Backbone interact. energy: -2.467 local terms energy: -501.626538 where: bonds (distance) C4'-P energy: -83.504 bonds (distance) P-C4' energy: -102.294 flat angles C4'-P-C4' energy: -99.231 flat angles P-C4'-P energy: -75.553 tors. eta vs tors. theta energy: -141.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1456.967819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.967819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.967819 (E_RNA) where: Base-Base interactions energy: -978.671 where: short stacking energy: -442.002 Base-Backbone interact. energy: -0.011 local terms energy: -478.286480 where: bonds (distance) C4'-P energy: -86.973 bonds (distance) P-C4' energy: -92.669 flat angles C4'-P-C4' energy: -109.803 flat angles P-C4'-P energy: -64.645 tors. eta vs tors. theta energy: -124.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1300.951782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.951782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.951782 (E_RNA) where: Base-Base interactions energy: -878.241 where: short stacking energy: -400.501 Base-Backbone interact. energy: -2.232 local terms energy: -420.479167 where: bonds (distance) C4'-P energy: -70.450 bonds (distance) P-C4' energy: -78.546 flat angles C4'-P-C4' energy: -99.255 flat angles P-C4'-P energy: -56.237 tors. eta vs tors. theta energy: -115.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1184.914769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.914769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.914769 (E_RNA) where: Base-Base interactions energy: -752.716 where: short stacking energy: -362.751 Base-Backbone interact. energy: -2.967 local terms energy: -429.231438 where: bonds (distance) C4'-P energy: -90.659 bonds (distance) P-C4' energy: -91.277 flat angles C4'-P-C4' energy: -102.223 flat angles P-C4'-P energy: -57.262 tors. eta vs tors. theta energy: -87.810 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: 7 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -1146.878134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.878134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.878134 (E_RNA) where: Base-Base interactions energy: -723.323 where: short stacking energy: -353.483 Base-Backbone interact. energy: 1.266 local terms energy: -424.821469 where: bonds (distance) C4'-P energy: -81.177 bonds (distance) P-C4' energy: -99.825 flat angles C4'-P-C4' energy: -96.167 flat angles P-C4'-P energy: -55.357 tors. eta vs tors. theta energy: -92.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -998.372066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.372066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.372066 (E_RNA) where: Base-Base interactions energy: -593.513 where: short stacking energy: -301.110 Base-Backbone interact. energy: -1.223 local terms energy: -403.636178 where: bonds (distance) C4'-P energy: -91.462 bonds (distance) P-C4' energy: -87.767 flat angles C4'-P-C4' energy: -90.708 flat angles P-C4'-P energy: -57.794 tors. eta vs tors. theta energy: -75.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -829.756766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.756766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.756766 (E_RNA) where: Base-Base interactions energy: -480.304 where: short stacking energy: -234.276 Base-Backbone interact. energy: -0.573 local terms energy: -348.880176 where: bonds (distance) C4'-P energy: -88.903 bonds (distance) P-C4' energy: -81.488 flat angles C4'-P-C4' energy: -80.489 flat angles P-C4'-P energy: -57.703 tors. eta vs tors. theta energy: -40.298 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: 1 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -732.263987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.263987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.263987 (E_RNA) where: Base-Base interactions energy: -413.135 where: short stacking energy: -204.145 Base-Backbone interact. energy: -0.081 local terms energy: -319.048225 where: bonds (distance) C4'-P energy: -79.548 bonds (distance) P-C4' energy: -98.611 flat angles C4'-P-C4' energy: -73.147 flat angles P-C4'-P energy: -42.056 tors. eta vs tors. theta energy: -25.686 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: 8 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -505.696613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.696613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.696613 (E_RNA) where: Base-Base interactions energy: -234.837 where: short stacking energy: -143.825 Base-Backbone interact. energy: -1.922 local terms energy: -268.936952 where: bonds (distance) C4'-P energy: -69.172 bonds (distance) P-C4' energy: -100.579 flat angles C4'-P-C4' energy: -68.504 flat angles P-C4'-P energy: -35.923 tors. eta vs tors. theta energy: 5.241 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: 4 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -478.079552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.079552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.079552 (E_RNA) where: Base-Base interactions energy: -221.365 where: short stacking energy: -140.668 Base-Backbone interact. energy: 0.663 local terms energy: -257.377756 where: bonds (distance) C4'-P energy: -67.851 bonds (distance) P-C4' energy: -86.109 flat angles C4'-P-C4' energy: -70.692 flat angles P-C4'-P energy: -45.216 tors. eta vs tors. theta energy: 12.491 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: 9 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1527.413558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.413558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.413558 (E_RNA) where: Base-Base interactions energy: -1022.446 where: short stacking energy: -452.099 Base-Backbone interact. energy: -2.432 local terms energy: -502.535672 where: bonds (distance) C4'-P energy: -99.295 bonds (distance) P-C4' energy: -87.780 flat angles C4'-P-C4' energy: -113.823 flat angles P-C4'-P energy: -73.898 tors. eta vs tors. theta energy: -127.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1452.454005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.454005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.454005 (E_RNA) where: Base-Base interactions energy: -974.915 where: short stacking energy: -457.393 Base-Backbone interact. energy: -1.602 local terms energy: -475.937116 where: bonds (distance) C4'-P energy: -74.466 bonds (distance) P-C4' energy: -84.686 flat angles C4'-P-C4' energy: -116.539 flat angles P-C4'-P energy: -72.454 tors. eta vs tors. theta energy: -127.792 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: 3, replica: 2 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1292.823887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.823887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.823887 (E_RNA) where: Base-Base interactions energy: -845.885 where: short stacking energy: -387.700 Base-Backbone interact. energy: 1.633 local terms energy: -448.572756 where: bonds (distance) C4'-P energy: -89.740 bonds (distance) P-C4' energy: -87.171 flat angles C4'-P-C4' energy: -93.436 flat angles P-C4'-P energy: -70.402 tors. eta vs tors. theta energy: -107.824 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: 3 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1210.393210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.393210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.393210 (E_RNA) where: Base-Base interactions energy: -768.404 where: short stacking energy: -352.457 Base-Backbone interact. energy: -2.028 local terms energy: -439.960495 where: bonds (distance) C4'-P energy: -92.984 bonds (distance) P-C4' energy: -92.421 flat angles C4'-P-C4' energy: -102.719 flat angles P-C4'-P energy: -62.376 tors. eta vs tors. theta energy: -89.459 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: 7 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -1138.098630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.098630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.098630 (E_RNA) where: Base-Base interactions energy: -732.008 where: short stacking energy: -336.715 Base-Backbone interact. energy: -1.745 local terms energy: -404.345725 where: bonds (distance) C4'-P energy: -87.826 bonds (distance) P-C4' energy: -88.220 flat angles C4'-P-C4' energy: -81.049 flat angles P-C4'-P energy: -60.927 tors. eta vs tors. theta energy: -86.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -961.982667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.982667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.982667 (E_RNA) where: Base-Base interactions energy: -573.577 where: short stacking energy: -293.559 Base-Backbone interact. energy: 2.269 local terms energy: -390.675197 where: bonds (distance) C4'-P energy: -83.812 bonds (distance) P-C4' energy: -93.714 flat angles C4'-P-C4' energy: -90.934 flat angles P-C4'-P energy: -39.987 tors. eta vs tors. theta energy: -82.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -800.655152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.655152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.655152 (E_RNA) where: Base-Base interactions energy: -461.216 where: short stacking energy: -222.517 Base-Backbone interact. energy: -1.025 local terms energy: -338.414143 where: bonds (distance) C4'-P energy: -85.510 bonds (distance) P-C4' energy: -77.286 flat angles C4'-P-C4' energy: -72.102 flat angles P-C4'-P energy: -62.235 tors. eta vs tors. theta energy: -41.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -744.226946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.226946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.226946 (E_RNA) where: Base-Base interactions energy: -424.108 where: short stacking energy: -227.676 Base-Backbone interact. energy: -2.980 local terms energy: -317.138781 where: bonds (distance) C4'-P energy: -81.291 bonds (distance) P-C4' energy: -77.489 flat angles C4'-P-C4' energy: -72.517 flat angles P-C4'-P energy: -48.752 tors. eta vs tors. theta energy: -37.089 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: 8 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -539.455354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.455354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.455354 (E_RNA) where: Base-Base interactions energy: -247.437 where: short stacking energy: -162.167 Base-Backbone interact. energy: 1.937 local terms energy: -293.955331 where: bonds (distance) C4'-P energy: -73.609 bonds (distance) P-C4' energy: -68.385 flat angles C4'-P-C4' energy: -80.782 flat angles P-C4'-P energy: -48.774 tors. eta vs tors. theta energy: -22.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -535.338658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.338658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.338658 (E_RNA) where: Base-Base interactions energy: -259.183 where: short stacking energy: -135.022 Base-Backbone interact. energy: -0.428 local terms energy: -275.726850 where: bonds (distance) C4'-P energy: -86.196 bonds (distance) P-C4' energy: -81.828 flat angles C4'-P-C4' energy: -68.662 flat angles P-C4'-P energy: -49.502 tors. eta vs tors. theta energy: 10.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1513.525036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.525036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.525036 (E_RNA) where: Base-Base interactions energy: -1001.369 where: short stacking energy: -460.514 Base-Backbone interact. energy: -1.592 local terms energy: -510.563460 where: bonds (distance) C4'-P energy: -95.119 bonds (distance) P-C4' energy: -98.539 flat angles C4'-P-C4' energy: -109.835 flat angles P-C4'-P energy: -71.358 tors. eta vs tors. theta energy: -135.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -1457.176320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.176320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.176320 (E_RNA) where: Base-Base interactions energy: -972.394 where: short stacking energy: -463.551 Base-Backbone interact. energy: -2.112 local terms energy: -482.670148 where: bonds (distance) C4'-P energy: -68.468 bonds (distance) P-C4' energy: -93.774 flat angles C4'-P-C4' energy: -106.670 flat angles P-C4'-P energy: -77.479 tors. eta vs tors. theta energy: -136.278 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: 2 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1267.150345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.150345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.150345 (E_RNA) where: Base-Base interactions energy: -820.553 where: short stacking energy: -375.918 Base-Backbone interact. energy: -1.463 local terms energy: -445.134061 where: bonds (distance) C4'-P energy: -85.004 bonds (distance) P-C4' energy: -95.018 flat angles C4'-P-C4' energy: -98.882 flat angles P-C4'-P energy: -64.510 tors. eta vs tors. theta energy: -101.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1200.210742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.210742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.210742 (E_RNA) where: Base-Base interactions energy: -783.315 where: short stacking energy: -367.491 Base-Backbone interact. energy: -2.471 local terms energy: -414.424354 where: bonds (distance) C4'-P energy: -84.013 bonds (distance) P-C4' energy: -88.301 flat angles C4'-P-C4' energy: -100.197 flat angles P-C4'-P energy: -54.154 tors. eta vs tors. theta energy: -87.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -1123.339173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.339173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.339173 (E_RNA) where: Base-Base interactions energy: -739.323 where: short stacking energy: -366.173 Base-Backbone interact. energy: 1.770 local terms energy: -385.786232 where: bonds (distance) C4'-P energy: -88.105 bonds (distance) P-C4' energy: -66.814 flat angles C4'-P-C4' energy: -91.536 flat angles P-C4'-P energy: -65.633 tors. eta vs tors. theta energy: -73.697 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: 6 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -939.960312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.960312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.960312 (E_RNA) where: Base-Base interactions energy: -582.086 where: short stacking energy: -286.689 Base-Backbone interact. energy: -0.516 local terms energy: -357.358567 where: bonds (distance) C4'-P energy: -83.506 bonds (distance) P-C4' energy: -86.324 flat angles C4'-P-C4' energy: -92.520 flat angles P-C4'-P energy: -42.459 tors. eta vs tors. theta energy: -52.549 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: 10 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -851.535647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.535647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.535647 (E_RNA) where: Base-Base interactions energy: -489.968 where: short stacking energy: -244.375 Base-Backbone interact. energy: -1.554 local terms energy: -360.014197 where: bonds (distance) C4'-P energy: -71.515 bonds (distance) P-C4' energy: -87.723 flat angles C4'-P-C4' energy: -90.146 flat angles P-C4'-P energy: -52.204 tors. eta vs tors. theta energy: -58.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -710.260207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.260207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.260207 (E_RNA) where: Base-Base interactions energy: -413.644 where: short stacking energy: -215.630 Base-Backbone interact. energy: 1.649 local terms energy: -298.265276 where: bonds (distance) C4'-P energy: -87.768 bonds (distance) P-C4' energy: -73.860 flat angles C4'-P-C4' energy: -79.281 flat angles P-C4'-P energy: -25.117 tors. eta vs tors. theta energy: -32.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -614.956419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.956419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.956419 (E_RNA) where: Base-Base interactions energy: -321.750 where: short stacking energy: -193.449 Base-Backbone interact. energy: 1.983 local terms energy: -295.188478 where: bonds (distance) C4'-P energy: -71.324 bonds (distance) P-C4' energy: -87.314 flat angles C4'-P-C4' energy: -77.434 flat angles P-C4'-P energy: -33.287 tors. eta vs tors. theta energy: -25.829 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: 8 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -503.045830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.045830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.045830 (E_RNA) where: Base-Base interactions energy: -230.238 where: short stacking energy: -156.424 Base-Backbone interact. energy: -1.467 local terms energy: -271.341317 where: bonds (distance) C4'-P energy: -63.572 bonds (distance) P-C4' energy: -75.859 flat angles C4'-P-C4' energy: -78.819 flat angles P-C4'-P energy: -47.537 tors. eta vs tors. theta energy: -5.554 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: 1, replica: 9 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1498.511330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.511330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.511330 (E_RNA) where: Base-Base interactions energy: -1019.407 where: short stacking energy: -463.961 Base-Backbone interact. energy: -2.009 local terms energy: -477.095476 where: bonds (distance) C4'-P energy: -77.596 bonds (distance) P-C4' energy: -92.227 flat angles C4'-P-C4' energy: -112.319 flat angles P-C4'-P energy: -72.951 tors. eta vs tors. theta energy: -122.002 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: 5 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1439.169584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.169584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.169584 (E_RNA) where: Base-Base interactions energy: -954.809 where: short stacking energy: -425.401 Base-Backbone interact. energy: -2.795 local terms energy: -481.566315 where: bonds (distance) C4'-P energy: -89.349 bonds (distance) P-C4' energy: -98.175 flat angles C4'-P-C4' energy: -102.761 flat angles P-C4'-P energy: -57.523 tors. eta vs tors. theta energy: -133.757 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: 2 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1285.119294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.119294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.119294 (E_RNA) where: Base-Base interactions energy: -834.058 where: short stacking energy: -373.441 Base-Backbone interact. energy: -0.063 local terms energy: -450.997772 where: bonds (distance) C4'-P energy: -96.837 bonds (distance) P-C4' energy: -83.973 flat angles C4'-P-C4' energy: -100.612 flat angles P-C4'-P energy: -65.896 tors. eta vs tors. theta energy: -103.680 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: 3 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1194.031222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.031222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.031222 (E_RNA) where: Base-Base interactions energy: -774.347 where: short stacking energy: -386.910 Base-Backbone interact. energy: -1.271 local terms energy: -418.413140 where: bonds (distance) C4'-P energy: -90.534 bonds (distance) P-C4' energy: -84.387 flat angles C4'-P-C4' energy: -101.086 flat angles P-C4'-P energy: -47.815 tors. eta vs tors. theta energy: -94.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -1070.757356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.757356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.757356 (E_RNA) where: Base-Base interactions energy: -657.915 where: short stacking energy: -300.999 Base-Backbone interact. energy: 0.557 local terms energy: -413.399909 where: bonds (distance) C4'-P energy: -97.089 bonds (distance) P-C4' energy: -98.265 flat angles C4'-P-C4' energy: -89.785 flat angles P-C4'-P energy: -63.205 tors. eta vs tors. theta energy: -65.055 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: 6 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -994.585471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.585471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.585471 (E_RNA) where: Base-Base interactions energy: -599.647 where: short stacking energy: -298.998 Base-Backbone interact. energy: -0.793 local terms energy: -394.144626 where: bonds (distance) C4'-P energy: -65.948 bonds (distance) P-C4' energy: -86.401 flat angles C4'-P-C4' energy: -98.335 flat angles P-C4'-P energy: -61.443 tors. eta vs tors. theta energy: -82.018 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: 10 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -864.485660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.485660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.485660 (E_RNA) where: Base-Base interactions energy: -501.358 where: short stacking energy: -230.784 Base-Backbone interact. energy: 1.431 local terms energy: -364.559099 where: bonds (distance) C4'-P energy: -74.188 bonds (distance) P-C4' energy: -99.815 flat angles C4'-P-C4' energy: -88.937 flat angles P-C4'-P energy: -53.510 tors. eta vs tors. theta energy: -48.110 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: 311 Temperature: 1.250000 Total energy: -680.637076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.637076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.637076 (E_RNA) where: Base-Base interactions energy: -375.658 where: short stacking energy: -213.113 Base-Backbone interact. energy: 0.614 local terms energy: -305.593212 where: bonds (distance) C4'-P energy: -71.420 bonds (distance) P-C4' energy: -64.213 flat angles C4'-P-C4' energy: -80.766 flat angles P-C4'-P energy: -52.146 tors. eta vs tors. theta energy: -37.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -668.435438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.435438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.435438 (E_RNA) where: Base-Base interactions energy: -375.381 where: short stacking energy: -190.597 Base-Backbone interact. energy: -1.841 local terms energy: -291.213750 where: bonds (distance) C4'-P energy: -69.658 bonds (distance) P-C4' energy: -87.180 flat angles C4'-P-C4' energy: -76.984 flat angles P-C4'-P energy: -41.853 tors. eta vs tors. theta energy: -15.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -479.558560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.558560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.558560 (E_RNA) where: Base-Base interactions energy: -239.558 where: short stacking energy: -145.227 Base-Backbone interact. energy: 1.609 local terms energy: -241.609547 where: bonds (distance) C4'-P energy: -64.399 bonds (distance) P-C4' energy: -79.675 flat angles C4'-P-C4' energy: -71.863 flat angles P-C4'-P energy: -33.602 tors. eta vs tors. theta energy: 7.930 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: 9 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1501.681944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.681944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.681944 (E_RNA) where: Base-Base interactions energy: -991.230 where: short stacking energy: -455.714 Base-Backbone interact. energy: -1.748 local terms energy: -508.704465 where: bonds (distance) C4'-P energy: -101.096 bonds (distance) P-C4' energy: -91.774 flat angles C4'-P-C4' energy: -114.017 flat angles P-C4'-P energy: -66.763 tors. eta vs tors. theta energy: -135.055 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: 2, replica: 5 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1423.661569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.661569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.661569 (E_RNA) where: Base-Base interactions energy: -949.871 where: short stacking energy: -431.009 Base-Backbone interact. energy: -0.491 local terms energy: -473.299146 where: bonds (distance) C4'-P energy: -95.079 bonds (distance) P-C4' energy: -100.789 flat angles C4'-P-C4' energy: -99.182 flat angles P-C4'-P energy: -54.870 tors. eta vs tors. theta energy: -123.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1317.051595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.051595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.051595 (E_RNA) where: Base-Base interactions energy: -865.714 where: short stacking energy: -384.084 Base-Backbone interact. energy: -1.205 local terms energy: -450.132489 where: bonds (distance) C4'-P energy: -97.655 bonds (distance) P-C4' energy: -97.845 flat angles C4'-P-C4' energy: -91.192 flat angles P-C4'-P energy: -60.162 tors. eta vs tors. theta energy: -103.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1175.883345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.883345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.883345 (E_RNA) where: Base-Base interactions energy: -735.056 where: short stacking energy: -360.277 Base-Backbone interact. energy: -3.104 local terms energy: -437.723337 where: bonds (distance) C4'-P energy: -93.377 bonds (distance) P-C4' energy: -92.639 flat angles C4'-P-C4' energy: -99.382 flat angles P-C4'-P energy: -61.618 tors. eta vs tors. theta energy: -90.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1039.813423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.813423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.813423 (E_RNA) where: Base-Base interactions energy: -662.676 where: short stacking energy: -320.033 Base-Backbone interact. energy: -1.671 local terms energy: -375.466885 where: bonds (distance) C4'-P energy: -73.487 bonds (distance) P-C4' energy: -94.624 flat angles C4'-P-C4' energy: -92.547 flat angles P-C4'-P energy: -56.244 tors. eta vs tors. theta energy: -58.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -982.108919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.108919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.108919 (E_RNA) where: Base-Base interactions energy: -587.379 where: short stacking energy: -277.588 Base-Backbone interact. energy: 3.187 local terms energy: -397.917807 where: bonds (distance) C4'-P energy: -83.554 bonds (distance) P-C4' energy: -89.895 flat angles C4'-P-C4' energy: -81.911 flat angles P-C4'-P energy: -69.692 tors. eta vs tors. theta energy: -72.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -860.831882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.831882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.831882 (E_RNA) where: Base-Base interactions energy: -504.618 where: short stacking energy: -224.465 Base-Backbone interact. energy: -0.139 local terms energy: -356.074600 where: bonds (distance) C4'-P energy: -75.868 bonds (distance) P-C4' energy: -86.420 flat angles C4'-P-C4' energy: -91.912 flat angles P-C4'-P energy: -62.984 tors. eta vs tors. theta energy: -38.891 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: 4 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -689.982784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.982784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.982784 (E_RNA) where: Base-Base interactions energy: -376.731 where: short stacking energy: -227.482 Base-Backbone interact. energy: 0.586 local terms energy: -313.838013 where: bonds (distance) C4'-P energy: -83.913 bonds (distance) P-C4' energy: -83.405 flat angles C4'-P-C4' energy: -72.092 flat angles P-C4'-P energy: -42.340 tors. eta vs tors. theta energy: -32.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -689.709690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.709690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.709690 (E_RNA) where: Base-Base interactions energy: -385.956 where: short stacking energy: -184.090 Base-Backbone interact. energy: -1.367 local terms energy: -302.386965 where: bonds (distance) C4'-P energy: -77.078 bonds (distance) P-C4' energy: -76.416 flat angles C4'-P-C4' energy: -72.283 flat angles P-C4'-P energy: -53.687 tors. eta vs tors. theta energy: -22.924 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: 8 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -513.684265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.684265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.684265 (E_RNA) where: Base-Base interactions energy: -228.170 where: short stacking energy: -156.761 Base-Backbone interact. energy: 4.527 local terms energy: -290.041535 where: bonds (distance) C4'-P energy: -82.401 bonds (distance) P-C4' energy: -78.937 flat angles C4'-P-C4' energy: -66.755 flat angles P-C4'-P energy: -48.704 tors. eta vs tors. theta energy: -13.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1512.455387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.455387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.455387 (E_RNA) where: Base-Base interactions energy: -1005.642 where: short stacking energy: -444.152 Base-Backbone interact. energy: -0.728 local terms energy: -506.085192 where: bonds (distance) C4'-P energy: -99.157 bonds (distance) P-C4' energy: -101.322 flat angles C4'-P-C4' energy: -111.764 flat angles P-C4'-P energy: -65.662 tors. eta vs tors. theta energy: -128.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1446.309278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.309278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.309278 (E_RNA) where: Base-Base interactions energy: -938.138 where: short stacking energy: -438.823 Base-Backbone interact. energy: -1.374 local terms energy: -506.797159 where: bonds (distance) C4'-P energy: -95.952 bonds (distance) P-C4' energy: -89.980 flat angles C4'-P-C4' energy: -111.405 flat angles P-C4'-P energy: -70.516 tors. eta vs tors. theta energy: -138.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1316.954301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.954301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.954301 (E_RNA) where: Base-Base interactions energy: -859.607 where: short stacking energy: -386.235 Base-Backbone interact. energy: -0.481 local terms energy: -456.866157 where: bonds (distance) C4'-P energy: -77.094 bonds (distance) P-C4' energy: -102.652 flat angles C4'-P-C4' energy: -99.251 flat angles P-C4'-P energy: -69.736 tors. eta vs tors. theta energy: -108.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1172.785839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.785839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.785839 (E_RNA) where: Base-Base interactions energy: -756.819 where: short stacking energy: -370.606 Base-Backbone interact. energy: -0.945 local terms energy: -415.022280 where: bonds (distance) C4'-P energy: -81.585 bonds (distance) P-C4' energy: -94.844 flat angles C4'-P-C4' energy: -94.933 flat angles P-C4'-P energy: -55.671 tors. eta vs tors. theta energy: -87.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -1050.936203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.936203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.936203 (E_RNA) where: Base-Base interactions energy: -661.315 where: short stacking energy: -309.394 Base-Backbone interact. energy: 11.162 local terms energy: -400.782888 where: bonds (distance) C4'-P energy: -89.981 bonds (distance) P-C4' energy: -85.089 flat angles C4'-P-C4' energy: -92.219 flat angles P-C4'-P energy: -63.986 tors. eta vs tors. theta energy: -69.508 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: 6 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -987.960539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.960539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.960539 (E_RNA) where: Base-Base interactions energy: -609.790 where: short stacking energy: -301.977 Base-Backbone interact. energy: 1.324 local terms energy: -379.495078 where: bonds (distance) C4'-P energy: -84.423 bonds (distance) P-C4' energy: -83.591 flat angles C4'-P-C4' energy: -98.253 flat angles P-C4'-P energy: -49.049 tors. eta vs tors. theta energy: -64.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -865.971762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.971762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.971762 (E_RNA) where: Base-Base interactions energy: -504.561 where: short stacking energy: -246.440 Base-Backbone interact. energy: 0.109 local terms energy: -361.519470 where: bonds (distance) C4'-P energy: -81.685 bonds (distance) P-C4' energy: -97.678 flat angles C4'-P-C4' energy: -90.152 flat angles P-C4'-P energy: -49.061 tors. eta vs tors. theta energy: -42.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -754.632321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.632321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.632321 (E_RNA) where: Base-Base interactions energy: -431.629 where: short stacking energy: -226.508 Base-Backbone interact. energy: 1.467 local terms energy: -324.470284 where: bonds (distance) C4'-P energy: -70.828 bonds (distance) P-C4' energy: -83.320 flat angles C4'-P-C4' energy: -73.658 flat angles P-C4'-P energy: -59.432 tors. eta vs tors. theta energy: -37.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -577.965075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.965075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.965075 (E_RNA) where: Base-Base interactions energy: -291.926 where: short stacking energy: -178.619 Base-Backbone interact. energy: 1.313 local terms energy: -287.351783 where: bonds (distance) C4'-P energy: -89.507 bonds (distance) P-C4' energy: -72.581 flat angles C4'-P-C4' energy: -72.321 flat angles P-C4'-P energy: -43.288 tors. eta vs tors. theta energy: -9.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -455.507682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.507682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.507682 (E_RNA) where: Base-Base interactions energy: -196.981 where: short stacking energy: -129.497 Base-Backbone interact. energy: 2.118 local terms energy: -260.643970 where: bonds (distance) C4'-P energy: -72.037 bonds (distance) P-C4' energy: -87.900 flat angles C4'-P-C4' energy: -79.997 flat angles P-C4'-P energy: -29.591 tors. eta vs tors. theta energy: 8.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1511.985077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.985077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.985077 (E_RNA) where: Base-Base interactions energy: -1002.299 where: short stacking energy: -469.093 Base-Backbone interact. energy: -2.017 local terms energy: -507.669479 where: bonds (distance) C4'-P energy: -104.855 bonds (distance) P-C4' energy: -90.839 flat angles C4'-P-C4' energy: -106.553 flat angles P-C4'-P energy: -68.340 tors. eta vs tors. theta energy: -137.083 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: 9 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1463.437136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.437136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.437136 (E_RNA) where: Base-Base interactions energy: -978.005 where: short stacking energy: -451.828 Base-Backbone interact. energy: -2.094 local terms energy: -483.338867 where: bonds (distance) C4'-P energy: -91.969 bonds (distance) P-C4' energy: -96.102 flat angles C4'-P-C4' energy: -100.461 flat angles P-C4'-P energy: -62.040 tors. eta vs tors. theta energy: -132.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1366.117247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.117247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.117247 (E_RNA) where: Base-Base interactions energy: -908.176 where: short stacking energy: -425.077 Base-Backbone interact. energy: -0.427 local terms energy: -457.513722 where: bonds (distance) C4'-P energy: -92.314 bonds (distance) P-C4' energy: -88.680 flat angles C4'-P-C4' energy: -109.045 flat angles P-C4'-P energy: -39.152 tors. eta vs tors. theta energy: -128.322 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: 3 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1139.262016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.262016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.262016 (E_RNA) where: Base-Base interactions energy: -716.325 where: short stacking energy: -350.363 Base-Backbone interact. energy: 1.000 local terms energy: -423.937120 where: bonds (distance) C4'-P energy: -89.021 bonds (distance) P-C4' energy: -83.680 flat angles C4'-P-C4' energy: -106.440 flat angles P-C4'-P energy: -58.834 tors. eta vs tors. theta energy: -85.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -1076.318717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.318717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.318717 (E_RNA) where: Base-Base interactions energy: -688.508 where: short stacking energy: -321.986 Base-Backbone interact. energy: -0.131 local terms energy: -387.679381 where: bonds (distance) C4'-P energy: -84.474 bonds (distance) P-C4' energy: -87.773 flat angles C4'-P-C4' energy: -95.677 flat angles P-C4'-P energy: -50.302 tors. eta vs tors. theta energy: -69.453 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: 6 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1004.833389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.833389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.833389 (E_RNA) where: Base-Base interactions energy: -603.687 where: short stacking energy: -303.054 Base-Backbone interact. energy: -1.132 local terms energy: -400.014531 where: bonds (distance) C4'-P energy: -78.002 bonds (distance) P-C4' energy: -88.448 flat angles C4'-P-C4' energy: -91.500 flat angles P-C4'-P energy: -63.623 tors. eta vs tors. theta energy: -78.441 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: 10 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -874.175430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.175430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.175430 (E_RNA) where: Base-Base interactions energy: -534.408 where: short stacking energy: -224.736 Base-Backbone interact. energy: -3.060 local terms energy: -336.707743 where: bonds (distance) C4'-P energy: -71.469 bonds (distance) P-C4' energy: -93.436 flat angles C4'-P-C4' energy: -75.468 flat angles P-C4'-P energy: -61.847 tors. eta vs tors. theta energy: -34.488 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: 4 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -710.923564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.923564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.923564 (E_RNA) where: Base-Base interactions energy: -421.170 where: short stacking energy: -217.277 Base-Backbone interact. energy: -1.849 local terms energy: -287.904595 where: bonds (distance) C4'-P energy: -75.371 bonds (distance) P-C4' energy: -73.959 flat angles C4'-P-C4' energy: -77.984 flat angles P-C4'-P energy: -40.780 tors. eta vs tors. theta energy: -19.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -596.153179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.153179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.153179 (E_RNA) where: Base-Base interactions energy: -307.459 where: short stacking energy: -173.311 Base-Backbone interact. energy: -2.376 local terms energy: -286.318430 where: bonds (distance) C4'-P energy: -75.858 bonds (distance) P-C4' energy: -76.091 flat angles C4'-P-C4' energy: -69.508 flat angles P-C4'-P energy: -53.211 tors. eta vs tors. theta energy: -11.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -438.966992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.966992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.966992 (E_RNA) where: Base-Base interactions energy: -173.150 where: short stacking energy: -120.752 Base-Backbone interact. energy: 2.026 local terms energy: -267.842267 where: bonds (distance) C4'-P energy: -84.449 bonds (distance) P-C4' energy: -79.881 flat angles C4'-P-C4' energy: -76.084 flat angles P-C4'-P energy: -41.357 tors. eta vs tors. theta energy: 13.929 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: 1, replica: 5 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1496.435856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.435856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.435856 (E_RNA) where: Base-Base interactions energy: -978.283 where: short stacking energy: -454.701 Base-Backbone interact. energy: -1.798 local terms energy: -516.354850 where: bonds (distance) C4'-P energy: -104.139 bonds (distance) P-C4' energy: -95.557 flat angles C4'-P-C4' energy: -106.645 flat angles P-C4'-P energy: -72.192 tors. eta vs tors. theta energy: -137.822 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: 9 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1454.580376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.580376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.580376 (E_RNA) where: Base-Base interactions energy: -972.481 where: short stacking energy: -439.893 Base-Backbone interact. energy: -0.916 local terms energy: -481.184158 where: bonds (distance) C4'-P energy: -90.265 bonds (distance) P-C4' energy: -91.098 flat angles C4'-P-C4' energy: -100.017 flat angles P-C4'-P energy: -74.250 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: 315 Temperature: 1.000000 Total energy: -1307.908368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.908368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.908368 (E_RNA) where: Base-Base interactions energy: -849.845 where: short stacking energy: -382.453 Base-Backbone interact. energy: -1.806 local terms energy: -456.257970 where: bonds (distance) C4'-P energy: -89.154 bonds (distance) P-C4' energy: -95.094 flat angles C4'-P-C4' energy: -106.458 flat angles P-C4'-P energy: -62.316 tors. eta vs tors. theta energy: -103.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1158.206040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.206040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.206040 (E_RNA) where: Base-Base interactions energy: -731.879 where: short stacking energy: -342.357 Base-Backbone interact. energy: -0.093 local terms energy: -426.234254 where: bonds (distance) C4'-P energy: -95.040 bonds (distance) P-C4' energy: -92.999 flat angles C4'-P-C4' energy: -89.654 flat angles P-C4'-P energy: -67.240 tors. eta vs tors. theta energy: -81.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -1046.652652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.652652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.652652 (E_RNA) where: Base-Base interactions energy: -676.489 where: short stacking energy: -316.623 Base-Backbone interact. energy: -2.292 local terms energy: -367.872054 where: bonds (distance) C4'-P energy: -85.721 bonds (distance) P-C4' energy: -68.826 flat angles C4'-P-C4' energy: -98.724 flat angles P-C4'-P energy: -46.400 tors. eta vs tors. theta energy: -68.202 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: 6 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -995.068235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.068235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.068235 (E_RNA) where: Base-Base interactions energy: -600.308 where: short stacking energy: -290.412 Base-Backbone interact. energy: -2.601 local terms energy: -392.158481 where: bonds (distance) C4'-P energy: -80.753 bonds (distance) P-C4' energy: -82.604 flat angles C4'-P-C4' energy: -94.232 flat angles P-C4'-P energy: -52.486 tors. eta vs tors. theta energy: -82.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -818.331656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.331656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.331656 (E_RNA) where: Base-Base interactions energy: -483.646 where: short stacking energy: -256.176 Base-Backbone interact. energy: -1.289 local terms energy: -333.396575 where: bonds (distance) C4'-P energy: -76.462 bonds (distance) P-C4' energy: -72.020 flat angles C4'-P-C4' energy: -91.017 flat angles P-C4'-P energy: -49.805 tors. eta vs tors. theta energy: -44.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -736.806963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.806963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.806963 (E_RNA) where: Base-Base interactions energy: -414.205 where: short stacking energy: -209.265 Base-Backbone interact. energy: -1.776 local terms energy: -320.826045 where: bonds (distance) C4'-P energy: -89.365 bonds (distance) P-C4' energy: -93.998 flat angles C4'-P-C4' energy: -71.519 flat angles P-C4'-P energy: -51.538 tors. eta vs tors. theta energy: -14.406 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: 1 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -580.383347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.383347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.383347 (E_RNA) where: Base-Base interactions energy: -292.270 where: short stacking energy: -154.051 Base-Backbone interact. energy: -1.194 local terms energy: -286.919225 where: bonds (distance) C4'-P energy: -86.653 bonds (distance) P-C4' energy: -74.111 flat angles C4'-P-C4' energy: -73.127 flat angles P-C4'-P energy: -50.372 tors. eta vs tors. theta energy: -2.657 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: 8 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -450.596101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.596101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.596101 (E_RNA) where: Base-Base interactions energy: -179.336 where: short stacking energy: -110.529 Base-Backbone interact. energy: -0.951 local terms energy: -270.308941 where: bonds (distance) C4'-P energy: -77.069 bonds (distance) P-C4' energy: -78.281 flat angles C4'-P-C4' energy: -66.306 flat angles P-C4'-P energy: -47.747 tors. eta vs tors. theta energy: -0.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1505.541606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.541606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.541606 (E_RNA) where: Base-Base interactions energy: -973.243 where: short stacking energy: -457.628 Base-Backbone interact. energy: -2.507 local terms energy: -529.791683 where: bonds (distance) C4'-P energy: -93.545 bonds (distance) P-C4' energy: -98.166 flat angles C4'-P-C4' energy: -113.605 flat angles P-C4'-P energy: -85.394 tors. eta vs tors. theta energy: -139.081 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: 316 Temperature: 0.950000 Total energy: -1454.726899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.726899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.726899 (E_RNA) where: Base-Base interactions energy: -962.039 where: short stacking energy: -427.529 Base-Backbone interact. energy: -1.952 local terms energy: -490.734958 where: bonds (distance) C4'-P energy: -87.944 bonds (distance) P-C4' energy: -105.858 flat angles C4'-P-C4' energy: -107.187 flat angles P-C4'-P energy: -73.462 tors. eta vs tors. theta energy: -116.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1305.515792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.515792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.515792 (E_RNA) where: Base-Base interactions energy: -861.764 where: short stacking energy: -385.034 Base-Backbone interact. energy: -2.185 local terms energy: -441.566592 where: bonds (distance) C4'-P energy: -80.310 bonds (distance) P-C4' energy: -83.915 flat angles C4'-P-C4' energy: -94.864 flat angles P-C4'-P energy: -68.150 tors. eta vs tors. theta energy: -114.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1174.853729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.853729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.853729 (E_RNA) where: Base-Base interactions energy: -781.693 where: short stacking energy: -348.861 Base-Backbone interact. energy: 5.741 local terms energy: -398.901752 where: bonds (distance) C4'-P energy: -81.827 bonds (distance) P-C4' energy: -83.269 flat angles C4'-P-C4' energy: -86.374 flat angles P-C4'-P energy: -63.734 tors. eta vs tors. theta energy: -83.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -1019.264828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.264828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.264828 (E_RNA) where: Base-Base interactions energy: -613.274 where: short stacking energy: -299.373 Base-Backbone interact. energy: -0.525 local terms energy: -405.465338 where: bonds (distance) C4'-P energy: -80.011 bonds (distance) P-C4' energy: -92.891 flat angles C4'-P-C4' energy: -88.989 flat angles P-C4'-P energy: -64.731 tors. eta vs tors. theta energy: -78.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1006.830007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.830007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.830007 (E_RNA) where: Base-Base interactions energy: -615.890 where: short stacking energy: -274.403 Base-Backbone interact. energy: -3.425 local terms energy: -387.515577 where: bonds (distance) C4'-P energy: -83.509 bonds (distance) P-C4' energy: -89.233 flat angles C4'-P-C4' energy: -94.789 flat angles P-C4'-P energy: -65.922 tors. eta vs tors. theta energy: -54.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -842.623392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.623392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.623392 (E_RNA) where: Base-Base interactions energy: -484.242 where: short stacking energy: -250.544 Base-Backbone interact. energy: 1.261 local terms energy: -359.642816 where: bonds (distance) C4'-P energy: -81.490 bonds (distance) P-C4' energy: -92.920 flat angles C4'-P-C4' energy: -90.596 flat angles P-C4'-P energy: -53.910 tors. eta vs tors. theta energy: -40.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -761.347164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.347164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.347164 (E_RNA) where: Base-Base interactions energy: -431.565 where: short stacking energy: -211.645 Base-Backbone interact. energy: -1.873 local terms energy: -327.909302 where: bonds (distance) C4'-P energy: -80.184 bonds (distance) P-C4' energy: -81.108 flat angles C4'-P-C4' energy: -79.624 flat angles P-C4'-P energy: -49.375 tors. eta vs tors. theta energy: -37.618 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: 9, replica: 1 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -601.672735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.672735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.672735 (E_RNA) where: Base-Base interactions energy: -309.275 where: short stacking energy: -165.136 Base-Backbone interact. energy: -1.277 local terms energy: -291.120796 where: bonds (distance) C4'-P energy: -76.161 bonds (distance) P-C4' energy: -93.761 flat angles C4'-P-C4' energy: -80.798 flat angles P-C4'-P energy: -34.465 tors. eta vs tors. theta energy: -5.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -429.681277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.681277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.681277 (E_RNA) where: Base-Base interactions energy: -172.324 where: short stacking energy: -126.138 Base-Backbone interact. energy: 0.735 local terms energy: -258.092192 where: bonds (distance) C4'-P energy: -66.055 bonds (distance) P-C4' energy: -82.828 flat angles C4'-P-C4' energy: -67.963 flat angles P-C4'-P energy: -42.332 tors. eta vs tors. theta energy: 1.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1475.191871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.191871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.191871 (E_RNA) where: Base-Base interactions energy: -970.106 where: short stacking energy: -462.031 Base-Backbone interact. energy: -3.641 local terms energy: -501.444946 where: bonds (distance) C4'-P energy: -91.460 bonds (distance) P-C4' energy: -91.951 flat angles C4'-P-C4' energy: -109.985 flat angles P-C4'-P energy: -67.648 tors. eta vs tors. theta energy: -140.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1463.494396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.494396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.494396 (E_RNA) where: Base-Base interactions energy: -1003.546 where: short stacking energy: -426.640 Base-Backbone interact. energy: -1.368 local terms energy: -458.579653 where: bonds (distance) C4'-P energy: -86.394 bonds (distance) P-C4' energy: -88.774 flat angles C4'-P-C4' energy: -99.565 flat angles P-C4'-P energy: -64.574 tors. eta vs tors. theta energy: -119.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1315.722993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.722993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.722993 (E_RNA) where: Base-Base interactions energy: -867.854 where: short stacking energy: -391.998 Base-Backbone interact. energy: -1.126 local terms energy: -446.742151 where: bonds (distance) C4'-P energy: -84.963 bonds (distance) P-C4' energy: -91.744 flat angles C4'-P-C4' energy: -97.645 flat angles P-C4'-P energy: -72.180 tors. eta vs tors. theta energy: -100.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1223.195371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.195371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.195371 (E_RNA) where: Base-Base interactions energy: -788.326 where: short stacking energy: -351.892 Base-Backbone interact. energy: 1.968 local terms energy: -436.837340 where: bonds (distance) C4'-P energy: -94.970 bonds (distance) P-C4' energy: -89.638 flat angles C4'-P-C4' energy: -100.125 flat angles P-C4'-P energy: -63.942 tors. eta vs tors. theta energy: -88.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -1046.247183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.247183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.247183 (E_RNA) where: Base-Base interactions energy: -645.832 where: short stacking energy: -320.793 Base-Backbone interact. energy: -1.566 local terms energy: -398.848709 where: bonds (distance) C4'-P energy: -79.049 bonds (distance) P-C4' energy: -85.838 flat angles C4'-P-C4' energy: -91.826 flat angles P-C4'-P energy: -53.961 tors. eta vs tors. theta energy: -88.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1056.599925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.599925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.599925 (E_RNA) where: Base-Base interactions energy: -688.756 where: short stacking energy: -311.851 Base-Backbone interact. energy: -0.490 local terms energy: -367.354123 where: bonds (distance) C4'-P energy: -82.210 bonds (distance) P-C4' energy: -89.445 flat angles C4'-P-C4' energy: -88.250 flat angles P-C4'-P energy: -47.560 tors. eta vs tors. theta energy: -59.889 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: 317 Temperature: 1.200000 Total energy: -860.679538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.679538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.679538 (E_RNA) where: Base-Base interactions energy: -497.275 where: short stacking energy: -256.801 Base-Backbone interact. energy: -1.314 local terms energy: -362.089759 where: bonds (distance) C4'-P energy: -85.200 bonds (distance) P-C4' energy: -79.431 flat angles C4'-P-C4' energy: -83.451 flat angles P-C4'-P energy: -58.653 tors. eta vs tors. theta energy: -55.355 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: 1 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -660.248161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.248161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.248161 (E_RNA) where: Base-Base interactions energy: -368.571 where: short stacking energy: -179.482 Base-Backbone interact. energy: -1.379 local terms energy: -290.298029 where: bonds (distance) C4'-P energy: -70.369 bonds (distance) P-C4' energy: -88.283 flat angles C4'-P-C4' energy: -72.634 flat angles P-C4'-P energy: -54.100 tors. eta vs tors. theta energy: -4.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -660.776219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.776219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.776219 (E_RNA) where: Base-Base interactions energy: -388.994 where: short stacking energy: -206.359 Base-Backbone interact. energy: 1.372 local terms energy: -273.153823 where: bonds (distance) C4'-P energy: -79.626 bonds (distance) P-C4' energy: -72.367 flat angles C4'-P-C4' energy: -76.156 flat angles P-C4'-P energy: -29.532 tors. eta vs tors. theta energy: -15.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -494.675104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.675104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.675104 (E_RNA) where: Base-Base interactions energy: -230.290 where: short stacking energy: -118.029 Base-Backbone interact. energy: -0.717 local terms energy: -263.668179 where: bonds (distance) C4'-P energy: -64.218 bonds (distance) P-C4' energy: -90.754 flat angles C4'-P-C4' energy: -76.321 flat angles P-C4'-P energy: -49.792 tors. eta vs tors. theta energy: 17.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1491.755350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.755350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.755350 (E_RNA) where: Base-Base interactions energy: -973.881 where: short stacking energy: -458.323 Base-Backbone interact. energy: -2.202 local terms energy: -515.672412 where: bonds (distance) C4'-P energy: -85.431 bonds (distance) P-C4' energy: -102.278 flat angles C4'-P-C4' energy: -102.597 flat angles P-C4'-P energy: -78.772 tors. eta vs tors. theta energy: -146.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -1510.465901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.465901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.465901 (E_RNA) where: Base-Base interactions energy: -1015.483 where: short stacking energy: -457.427 Base-Backbone interact. energy: 0.993 local terms energy: -495.975882 where: bonds (distance) C4'-P energy: -94.284 bonds (distance) P-C4' energy: -100.233 flat angles C4'-P-C4' energy: -100.948 flat angles P-C4'-P energy: -67.646 tors. eta vs tors. theta energy: -132.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1244.777219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.777219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.777219 (E_RNA) where: Base-Base interactions energy: -800.685 where: short stacking energy: -386.030 Base-Backbone interact. energy: -0.206 local terms energy: -443.886012 where: bonds (distance) C4'-P energy: -88.609 bonds (distance) P-C4' energy: -99.402 flat angles C4'-P-C4' energy: -95.588 flat angles P-C4'-P energy: -54.866 tors. eta vs tors. theta energy: -105.420 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: 2 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1240.128679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.128679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.128679 (E_RNA) where: Base-Base interactions energy: -810.683 where: short stacking energy: -367.207 Base-Backbone interact. energy: -2.370 local terms energy: -427.076096 where: bonds (distance) C4'-P energy: -89.878 bonds (distance) P-C4' energy: -74.402 flat angles C4'-P-C4' energy: -94.827 flat angles P-C4'-P energy: -69.901 tors. eta vs tors. theta energy: -98.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -1118.027502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.027502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.027502 (E_RNA) where: Base-Base interactions energy: -728.327 where: short stacking energy: -330.740 Base-Backbone interact. energy: 0.016 local terms energy: -389.716982 where: bonds (distance) C4'-P energy: -86.802 bonds (distance) P-C4' energy: -83.179 flat angles C4'-P-C4' energy: -93.039 flat angles P-C4'-P energy: -54.932 tors. eta vs tors. theta energy: -71.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1014.764801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.764801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.764801 (E_RNA) where: Base-Base interactions energy: -636.382 where: short stacking energy: -310.473 Base-Backbone interact. energy: -0.023 local terms energy: -378.359450 where: bonds (distance) C4'-P energy: -73.899 bonds (distance) P-C4' energy: -82.927 flat angles C4'-P-C4' energy: -84.017 flat angles P-C4'-P energy: -60.195 tors. eta vs tors. theta energy: -77.322 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: 318 Temperature: 1.200000 Total energy: -827.863180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.863180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.863180 (E_RNA) where: Base-Base interactions energy: -510.637 where: short stacking energy: -244.795 Base-Backbone interact. energy: -1.064 local terms energy: -316.162143 where: bonds (distance) C4'-P energy: -78.142 bonds (distance) P-C4' energy: -72.610 flat angles C4'-P-C4' energy: -77.769 flat angles P-C4'-P energy: -30.903 tors. eta vs tors. theta energy: -56.737 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: 1 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -706.892631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.892631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.892631 (E_RNA) where: Base-Base interactions energy: -398.270 where: short stacking energy: -211.620 Base-Backbone interact. energy: 1.990 local terms energy: -310.612908 where: bonds (distance) C4'-P energy: -74.778 bonds (distance) P-C4' energy: -89.270 flat angles C4'-P-C4' energy: -75.852 flat angles P-C4'-P energy: -42.496 tors. eta vs tors. theta energy: -28.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -646.186841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.186841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.186841 (E_RNA) where: Base-Base interactions energy: -358.439 where: short stacking energy: -163.647 Base-Backbone interact. energy: -1.366 local terms energy: -286.382219 where: bonds (distance) C4'-P energy: -77.999 bonds (distance) P-C4' energy: -53.186 flat angles C4'-P-C4' energy: -88.799 flat angles P-C4'-P energy: -33.379 tors. eta vs tors. theta energy: -33.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -450.338270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.338270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.338270 (E_RNA) where: Base-Base interactions energy: -205.685 where: short stacking energy: -114.887 Base-Backbone interact. energy: -0.446 local terms energy: -244.207410 where: bonds (distance) C4'-P energy: -66.312 bonds (distance) P-C4' energy: -89.972 flat angles C4'-P-C4' energy: -54.462 flat angles P-C4'-P energy: -47.262 tors. eta vs tors. theta energy: 13.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1486.347668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.347668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.347668 (E_RNA) where: Base-Base interactions energy: -969.072 where: short stacking energy: -454.086 Base-Backbone interact. energy: -3.239 local terms energy: -514.036896 where: bonds (distance) C4'-P energy: -94.404 bonds (distance) P-C4' energy: -95.694 flat angles C4'-P-C4' energy: -105.396 flat angles P-C4'-P energy: -84.822 tors. eta vs tors. theta energy: -133.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1471.605764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.605764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.605764 (E_RNA) where: Base-Base interactions energy: -987.065 where: short stacking energy: -427.656 Base-Backbone interact. energy: -5.074 local terms energy: -479.466644 where: bonds (distance) C4'-P energy: -89.525 bonds (distance) P-C4' energy: -101.715 flat angles C4'-P-C4' energy: -92.563 flat angles P-C4'-P energy: -70.285 tors. eta vs tors. theta energy: -125.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1255.243616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.243616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.243616 (E_RNA) where: Base-Base interactions energy: -809.454 where: short stacking energy: -379.336 Base-Backbone interact. energy: -0.829 local terms energy: -444.960044 where: bonds (distance) C4'-P energy: -90.240 bonds (distance) P-C4' energy: -90.400 flat angles C4'-P-C4' energy: -105.400 flat angles P-C4'-P energy: -65.511 tors. eta vs tors. theta energy: -93.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1246.283858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.283858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.283858 (E_RNA) where: Base-Base interactions energy: -796.200 where: short stacking energy: -365.037 Base-Backbone interact. energy: -2.446 local terms energy: -447.638536 where: bonds (distance) C4'-P energy: -91.349 bonds (distance) P-C4' energy: -87.261 flat angles C4'-P-C4' energy: -102.131 flat angles P-C4'-P energy: -67.961 tors. eta vs tors. theta energy: -98.937 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: 7 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1100.881717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.881717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.881717 (E_RNA) where: Base-Base interactions energy: -708.195 where: short stacking energy: -312.921 Base-Backbone interact. energy: 0.536 local terms energy: -393.223271 where: bonds (distance) C4'-P energy: -89.994 bonds (distance) P-C4' energy: -88.379 flat angles C4'-P-C4' energy: -82.659 flat angles P-C4'-P energy: -52.365 tors. eta vs tors. theta energy: -79.826 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: 6 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -997.350486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.350486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.350486 (E_RNA) where: Base-Base interactions energy: -620.912 where: short stacking energy: -303.545 Base-Backbone interact. energy: 2.955 local terms energy: -379.393799 where: bonds (distance) C4'-P energy: -74.820 bonds (distance) P-C4' energy: -79.397 flat angles C4'-P-C4' energy: -103.121 flat angles P-C4'-P energy: -55.410 tors. eta vs tors. theta energy: -66.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -845.467850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.467850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.467850 (E_RNA) where: Base-Base interactions energy: -467.226 where: short stacking energy: -225.881 Base-Backbone interact. energy: 0.075 local terms energy: -378.316341 where: bonds (distance) C4'-P energy: -94.225 bonds (distance) P-C4' energy: -103.998 flat angles C4'-P-C4' energy: -90.803 flat angles P-C4'-P energy: -47.555 tors. eta vs tors. theta energy: -41.735 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: 1 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -783.332593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.332593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.332593 (E_RNA) where: Base-Base interactions energy: -458.018 where: short stacking energy: -224.571 Base-Backbone interact. energy: -0.284 local terms energy: -325.030961 where: bonds (distance) C4'-P energy: -86.514 bonds (distance) P-C4' energy: -79.891 flat angles C4'-P-C4' energy: -84.373 flat angles P-C4'-P energy: -37.882 tors. eta vs tors. theta energy: -36.371 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: 9, replica: 4 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -597.250921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.250921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.250921 (E_RNA) where: Base-Base interactions energy: -305.901 where: short stacking energy: -165.332 Base-Backbone interact. energy: -0.954 local terms energy: -290.395593 where: bonds (distance) C4'-P energy: -83.111 bonds (distance) P-C4' energy: -78.438 flat angles C4'-P-C4' energy: -66.662 flat angles P-C4'-P energy: -58.303 tors. eta vs tors. theta energy: -3.882 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: 10, replica: 8 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -514.419844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.419844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.419844 (E_RNA) where: Base-Base interactions energy: -255.800 where: short stacking energy: -135.427 Base-Backbone interact. energy: -0.031 local terms energy: -258.588658 where: bonds (distance) C4'-P energy: -62.697 bonds (distance) P-C4' energy: -85.954 flat angles C4'-P-C4' energy: -78.238 flat angles P-C4'-P energy: -37.244 tors. eta vs tors. theta energy: 5.545 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: 5 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1470.766657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.766657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.766657 (E_RNA) where: Base-Base interactions energy: -961.462 where: short stacking energy: -426.704 Base-Backbone interact. energy: -1.982 local terms energy: -507.322778 where: bonds (distance) C4'-P energy: -104.368 bonds (distance) P-C4' energy: -101.100 flat angles C4'-P-C4' energy: -102.504 flat angles P-C4'-P energy: -77.599 tors. eta vs tors. theta energy: -121.753 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: 9 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1484.997432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.997432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.997432 (E_RNA) where: Base-Base interactions energy: -1005.707 where: short stacking energy: -443.907 Base-Backbone interact. energy: -3.282 local terms energy: -476.007764 where: bonds (distance) C4'-P energy: -85.347 bonds (distance) P-C4' energy: -82.196 flat angles C4'-P-C4' energy: -109.000 flat angles P-C4'-P energy: -74.946 tors. eta vs tors. theta energy: -124.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1237.407163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.407163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.407163 (E_RNA) where: Base-Base interactions energy: -813.810 where: short stacking energy: -363.798 Base-Backbone interact. energy: -0.176 local terms energy: -423.420463 where: bonds (distance) C4'-P energy: -96.350 bonds (distance) P-C4' energy: -89.075 flat angles C4'-P-C4' energy: -79.331 flat angles P-C4'-P energy: -57.934 tors. eta vs tors. theta energy: -100.731 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: 4, replica: 3 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1167.827884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.827884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.827884 (E_RNA) where: Base-Base interactions energy: -742.385 where: short stacking energy: -361.545 Base-Backbone interact. energy: -2.588 local terms energy: -422.855374 where: bonds (distance) C4'-P energy: -74.754 bonds (distance) P-C4' energy: -93.492 flat angles C4'-P-C4' energy: -97.034 flat angles P-C4'-P energy: -67.899 tors. eta vs tors. theta energy: -89.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -1103.895113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.895113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.895113 (E_RNA) where: Base-Base interactions energy: -689.729 where: short stacking energy: -318.138 Base-Backbone interact. energy: -0.130 local terms energy: -414.036025 where: bonds (distance) C4'-P energy: -90.388 bonds (distance) P-C4' energy: -81.188 flat angles C4'-P-C4' energy: -106.876 flat angles P-C4'-P energy: -60.718 tors. eta vs tors. theta energy: -74.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1034.827534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.827534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.827534 (E_RNA) where: Base-Base interactions energy: -646.314 where: short stacking energy: -309.491 Base-Backbone interact. energy: -0.679 local terms energy: -387.833984 where: bonds (distance) C4'-P energy: -66.640 bonds (distance) P-C4' energy: -91.547 flat angles C4'-P-C4' energy: -89.829 flat angles P-C4'-P energy: -61.342 tors. eta vs tors. theta energy: -78.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -801.169259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.169259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.169259 (E_RNA) where: Base-Base interactions energy: -454.360 where: short stacking energy: -216.859 Base-Backbone interact. energy: -0.446 local terms energy: -346.363008 where: bonds (distance) C4'-P energy: -85.776 bonds (distance) P-C4' energy: -96.541 flat angles C4'-P-C4' energy: -73.319 flat angles P-C4'-P energy: -49.400 tors. eta vs tors. theta energy: -41.327 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: 10 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -775.445509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.445509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.445509 (E_RNA) where: Base-Base interactions energy: -471.408 where: short stacking energy: -217.667 Base-Backbone interact. energy: -2.292 local terms energy: -301.745151 where: bonds (distance) C4'-P energy: -59.788 bonds (distance) P-C4' energy: -74.114 flat angles C4'-P-C4' energy: -75.065 flat angles P-C4'-P energy: -61.599 tors. eta vs tors. theta energy: -31.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -578.189012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.189012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.189012 (E_RNA) where: Base-Base interactions energy: -309.117 where: short stacking energy: -176.963 Base-Backbone interact. energy: -1.731 local terms energy: -267.340179 where: bonds (distance) C4'-P energy: -66.965 bonds (distance) P-C4' energy: -89.414 flat angles C4'-P-C4' energy: -61.065 flat angles P-C4'-P energy: -39.963 tors. eta vs tors. theta energy: -9.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -571.359710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.359710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.359710 (E_RNA) where: Base-Base interactions energy: -303.534 where: short stacking energy: -187.727 Base-Backbone interact. energy: -1.188 local terms energy: -266.637338 where: bonds (distance) C4'-P energy: -75.801 bonds (distance) P-C4' energy: -78.651 flat angles C4'-P-C4' energy: -66.321 flat angles P-C4'-P energy: -25.261 tors. eta vs tors. theta energy: -20.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1479.564994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.564994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.564994 (E_RNA) where: Base-Base interactions energy: -976.677 where: short stacking energy: -457.893 Base-Backbone interact. energy: -0.673 local terms energy: -502.214554 where: bonds (distance) C4'-P energy: -102.946 bonds (distance) P-C4' energy: -94.260 flat angles C4'-P-C4' energy: -102.276 flat angles P-C4'-P energy: -68.437 tors. eta vs tors. theta energy: -134.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1450.017149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.017149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.017149 (E_RNA) where: Base-Base interactions energy: -970.143 where: short stacking energy: -428.377 Base-Backbone interact. energy: -1.366 local terms energy: -478.507903 where: bonds (distance) C4'-P energy: -91.213 bonds (distance) P-C4' energy: -101.937 flat angles C4'-P-C4' energy: -96.032 flat angles P-C4'-P energy: -66.013 tors. eta vs tors. theta energy: -123.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1309.843688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.843688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.843688 (E_RNA) where: Base-Base interactions energy: -879.744 where: short stacking energy: -401.779 Base-Backbone interact. energy: -1.903 local terms energy: -428.197503 where: bonds (distance) C4'-P energy: -69.113 bonds (distance) P-C4' energy: -93.559 flat angles C4'-P-C4' energy: -97.315 flat angles P-C4'-P energy: -59.275 tors. eta vs tors. theta energy: -108.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1188.974350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.974350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.974350 (E_RNA) where: Base-Base interactions energy: -771.966 where: short stacking energy: -375.123 Base-Backbone interact. energy: 0.269 local terms energy: -417.276529 where: bonds (distance) C4'-P energy: -87.098 bonds (distance) P-C4' energy: -95.746 flat angles C4'-P-C4' energy: -88.147 flat angles P-C4'-P energy: -53.908 tors. eta vs tors. theta energy: -92.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1100.939584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.939584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.939584 (E_RNA) where: Base-Base interactions energy: -704.850 where: short stacking energy: -323.170 Base-Backbone interact. energy: -2.018 local terms energy: -394.071921 where: bonds (distance) C4'-P energy: -80.610 bonds (distance) P-C4' energy: -74.429 flat angles C4'-P-C4' energy: -93.074 flat angles P-C4'-P energy: -66.491 tors. eta vs tors. theta energy: -79.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1046.683506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.683506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.683506 (E_RNA) where: Base-Base interactions energy: -638.332 where: short stacking energy: -291.585 Base-Backbone interact. energy: -0.470 local terms energy: -407.881899 where: bonds (distance) C4'-P energy: -94.027 bonds (distance) P-C4' energy: -94.378 flat angles C4'-P-C4' energy: -86.893 flat angles P-C4'-P energy: -69.370 tors. eta vs tors. theta energy: -63.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -846.622905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.622905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.622905 (E_RNA) where: Base-Base interactions energy: -454.824 where: short stacking energy: -234.620 Base-Backbone interact. energy: -0.363 local terms energy: -391.435709 where: bonds (distance) C4'-P energy: -95.465 bonds (distance) P-C4' energy: -83.264 flat angles C4'-P-C4' energy: -99.219 flat angles P-C4'-P energy: -53.940 tors. eta vs tors. theta energy: -59.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -750.927210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.927210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.927210 (E_RNA) where: Base-Base interactions energy: -419.083 where: short stacking energy: -208.730 Base-Backbone interact. energy: 1.078 local terms energy: -332.922871 where: bonds (distance) C4'-P energy: -82.049 bonds (distance) P-C4' energy: -90.224 flat angles C4'-P-C4' energy: -74.124 flat angles P-C4'-P energy: -50.324 tors. eta vs tors. theta energy: -36.202 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: 9, replica: 4 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -606.412025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.412025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.412025 (E_RNA) where: Base-Base interactions energy: -348.523 where: short stacking energy: -182.720 Base-Backbone interact. energy: -0.957 local terms energy: -256.932159 where: bonds (distance) C4'-P energy: -73.090 bonds (distance) P-C4' energy: -65.733 flat angles C4'-P-C4' energy: -74.604 flat angles P-C4'-P energy: -30.886 tors. eta vs tors. theta energy: -12.620 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: 8 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -620.033534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.033534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.033534 (E_RNA) where: Base-Base interactions energy: -317.888 where: short stacking energy: -150.783 Base-Backbone interact. energy: 1.496 local terms energy: -303.641646 where: bonds (distance) C4'-P energy: -83.456 bonds (distance) P-C4' energy: -79.021 flat angles C4'-P-C4' energy: -77.403 flat angles P-C4'-P energy: -59.090 tors. eta vs tors. theta energy: -4.672 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: 9 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1516.109940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.109940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.109940 (E_RNA) where: Base-Base interactions energy: -1017.472 where: short stacking energy: -439.834 Base-Backbone interact. energy: -2.514 local terms energy: -496.124438 where: bonds (distance) C4'-P energy: -92.328 bonds (distance) P-C4' energy: -104.583 flat angles C4'-P-C4' energy: -107.743 flat angles P-C4'-P energy: -65.535 tors. eta vs tors. theta energy: -125.936 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: 2, replica: 5 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1451.580447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.580447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.580447 (E_RNA) where: Base-Base interactions energy: -975.181 where: short stacking energy: -450.521 Base-Backbone interact. energy: 2.203 local terms energy: -478.602937 where: bonds (distance) C4'-P energy: -93.406 bonds (distance) P-C4' energy: -90.284 flat angles C4'-P-C4' energy: -97.435 flat angles P-C4'-P energy: -71.376 tors. eta vs tors. theta energy: -126.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1319.754389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.754389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.754389 (E_RNA) where: Base-Base interactions energy: -861.497 where: short stacking energy: -400.885 Base-Backbone interact. energy: -1.761 local terms energy: -456.496165 where: bonds (distance) C4'-P energy: -94.933 bonds (distance) P-C4' energy: -99.934 flat angles C4'-P-C4' energy: -87.739 flat angles P-C4'-P energy: -62.958 tors. eta vs tors. theta energy: -110.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1203.497053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.497053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.497053 (E_RNA) where: Base-Base interactions energy: -772.291 where: short stacking energy: -373.502 Base-Backbone interact. energy: 0.710 local terms energy: -431.915842 where: bonds (distance) C4'-P energy: -90.649 bonds (distance) P-C4' energy: -85.030 flat angles C4'-P-C4' energy: -101.005 flat angles P-C4'-P energy: -66.813 tors. eta vs tors. theta energy: -88.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1087.126980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.126980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.126980 (E_RNA) where: Base-Base interactions energy: -671.945 where: short stacking energy: -331.682 Base-Backbone interact. energy: -0.359 local terms energy: -414.823029 where: bonds (distance) C4'-P energy: -97.485 bonds (distance) P-C4' energy: -89.381 flat angles C4'-P-C4' energy: -89.176 flat angles P-C4'-P energy: -66.278 tors. eta vs tors. theta energy: -72.503 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: 7 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1060.635561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.635561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.635561 (E_RNA) where: Base-Base interactions energy: -685.631 where: short stacking energy: -326.822 Base-Backbone interact. energy: -1.044 local terms energy: -373.960179 where: bonds (distance) C4'-P energy: -65.969 bonds (distance) P-C4' energy: -86.570 flat angles C4'-P-C4' energy: -95.047 flat angles P-C4'-P energy: -52.281 tors. eta vs tors. theta energy: -74.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -786.974806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.974806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.974806 (E_RNA) where: Base-Base interactions energy: -476.584 where: short stacking energy: -211.569 Base-Backbone interact. energy: 2.427 local terms energy: -312.817215 where: bonds (distance) C4'-P energy: -66.216 bonds (distance) P-C4' energy: -84.052 flat angles C4'-P-C4' energy: -83.627 flat angles P-C4'-P energy: -44.165 tors. eta vs tors. theta energy: -34.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -719.182037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.182037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.182037 (E_RNA) where: Base-Base interactions energy: -398.798 where: short stacking energy: -225.590 Base-Backbone interact. energy: 1.163 local terms energy: -321.546527 where: bonds (distance) C4'-P energy: -80.063 bonds (distance) P-C4' energy: -80.671 flat angles C4'-P-C4' energy: -74.302 flat angles P-C4'-P energy: -49.035 tors. eta vs tors. theta energy: -37.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -611.333712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.333712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.333712 (E_RNA) where: Base-Base interactions energy: -305.143 where: short stacking energy: -149.723 Base-Backbone interact. energy: 3.457 local terms energy: -309.647481 where: bonds (distance) C4'-P energy: -87.557 bonds (distance) P-C4' energy: -95.283 flat angles C4'-P-C4' energy: -70.935 flat angles P-C4'-P energy: -51.015 tors. eta vs tors. theta energy: -4.857 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: 10, replica: 8 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -538.596278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.596278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.596278 (E_RNA) where: Base-Base interactions energy: -297.554 where: short stacking energy: -147.943 Base-Backbone interact. energy: 1.150 local terms energy: -242.192083 where: bonds (distance) C4'-P energy: -69.427 bonds (distance) P-C4' energy: -79.345 flat angles C4'-P-C4' energy: -70.665 flat angles P-C4'-P energy: -24.938 tors. eta vs tors. theta energy: 2.184 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: 9 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1526.981496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.981496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.981496 (E_RNA) where: Base-Base interactions energy: -1027.155 where: short stacking energy: -446.457 Base-Backbone interact. energy: -3.421 local terms energy: -496.405445 where: bonds (distance) C4'-P energy: -100.543 bonds (distance) P-C4' energy: -85.797 flat angles C4'-P-C4' energy: -107.866 flat angles P-C4'-P energy: -74.655 tors. eta vs tors. theta energy: -127.544 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: 5 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1405.516097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.516097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.516097 (E_RNA) where: Base-Base interactions energy: -933.204 where: short stacking energy: -413.934 Base-Backbone interact. energy: -1.410 local terms energy: -470.902113 where: bonds (distance) C4'-P energy: -90.821 bonds (distance) P-C4' energy: -96.027 flat angles C4'-P-C4' energy: -107.842 flat angles P-C4'-P energy: -60.054 tors. eta vs tors. theta energy: -116.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -1286.880263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.880263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.880263 (E_RNA) where: Base-Base interactions energy: -826.758 where: short stacking energy: -380.304 Base-Backbone interact. energy: 0.239 local terms energy: -460.361339 where: bonds (distance) C4'-P energy: -91.008 bonds (distance) P-C4' energy: -100.242 flat angles C4'-P-C4' energy: -97.154 flat angles P-C4'-P energy: -60.154 tors. eta vs tors. theta energy: -111.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1143.662228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.662228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.662228 (E_RNA) where: Base-Base interactions energy: -739.825 where: short stacking energy: -341.814 Base-Backbone interact. energy: -0.344 local terms energy: -403.492625 where: bonds (distance) C4'-P energy: -83.965 bonds (distance) P-C4' energy: -92.464 flat angles C4'-P-C4' energy: -86.875 flat angles P-C4'-P energy: -65.576 tors. eta vs tors. theta energy: -74.612 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: 6 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -1051.756063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.756063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.756063 (E_RNA) where: Base-Base interactions energy: -659.972 where: short stacking energy: -306.694 Base-Backbone interact. energy: -2.657 local terms energy: -389.127239 where: bonds (distance) C4'-P energy: -88.942 bonds (distance) P-C4' energy: -91.556 flat angles C4'-P-C4' energy: -85.848 flat angles P-C4'-P energy: -44.189 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: 7 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1093.605865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.605865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.605865 (E_RNA) where: Base-Base interactions energy: -721.177 where: short stacking energy: -337.290 Base-Backbone interact. energy: -3.108 local terms energy: -369.321366 where: bonds (distance) C4'-P energy: -69.006 bonds (distance) P-C4' energy: -78.816 flat angles C4'-P-C4' energy: -82.005 flat angles P-C4'-P energy: -49.985 tors. eta vs tors. theta energy: -89.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -878.253742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.253742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.253742 (E_RNA) where: Base-Base interactions energy: -522.362 where: short stacking energy: -261.046 Base-Backbone interact. energy: -1.803 local terms energy: -354.089349 where: bonds (distance) C4'-P energy: -91.953 bonds (distance) P-C4' energy: -87.043 flat angles C4'-P-C4' energy: -84.285 flat angles P-C4'-P energy: -45.485 tors. eta vs tors. theta energy: -45.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -771.591682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.591682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.591682 (E_RNA) where: Base-Base interactions energy: -447.687 where: short stacking energy: -206.508 Base-Backbone interact. energy: 2.173 local terms energy: -326.077121 where: bonds (distance) C4'-P energy: -90.415 bonds (distance) P-C4' energy: -91.421 flat angles C4'-P-C4' energy: -73.332 flat angles P-C4'-P energy: -43.386 tors. eta vs tors. theta energy: -27.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -600.756407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.756407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.756407 (E_RNA) where: Base-Base interactions energy: -318.190 where: short stacking energy: -185.622 Base-Backbone interact. energy: 0.851 local terms energy: -283.417244 where: bonds (distance) C4'-P energy: -76.156 bonds (distance) P-C4' energy: -77.397 flat angles C4'-P-C4' energy: -74.689 flat angles P-C4'-P energy: -47.821 tors. eta vs tors. theta energy: -7.355 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: 10, replica: 8 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -500.357736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.357736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.357736 (E_RNA) where: Base-Base interactions energy: -237.872 where: short stacking energy: -129.374 Base-Backbone interact. energy: 1.800 local terms energy: -264.284845 where: bonds (distance) C4'-P energy: -72.888 bonds (distance) P-C4' energy: -80.969 flat angles C4'-P-C4' energy: -73.264 flat angles P-C4'-P energy: -43.107 tors. eta vs tors. theta energy: 5.942 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: 1, replica: 9 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1502.066625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.066625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.066625 (E_RNA) where: Base-Base interactions energy: -1023.654 where: short stacking energy: -447.143 Base-Backbone interact. energy: -1.923 local terms energy: -476.490282 where: bonds (distance) C4'-P energy: -90.855 bonds (distance) P-C4' energy: -92.900 flat angles C4'-P-C4' energy: -98.978 flat angles P-C4'-P energy: -72.563 tors. eta vs tors. theta energy: -121.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1403.978005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.978005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.978005 (E_RNA) where: Base-Base interactions energy: -938.257 where: short stacking energy: -423.097 Base-Backbone interact. energy: -3.301 local terms energy: -462.420552 where: bonds (distance) C4'-P energy: -80.455 bonds (distance) P-C4' energy: -102.178 flat angles C4'-P-C4' energy: -100.362 flat angles P-C4'-P energy: -64.396 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: 3, replica: 2 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1320.041288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.041288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.041288 (E_RNA) where: Base-Base interactions energy: -848.187 where: short stacking energy: -396.559 Base-Backbone interact. energy: -0.750 local terms energy: -471.104162 where: bonds (distance) C4'-P energy: -96.428 bonds (distance) P-C4' energy: -87.702 flat angles C4'-P-C4' energy: -102.180 flat angles P-C4'-P energy: -66.918 tors. eta vs tors. theta energy: -117.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1203.891814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.891814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.891814 (E_RNA) where: Base-Base interactions energy: -759.901 where: short stacking energy: -361.029 Base-Backbone interact. energy: -0.036 local terms energy: -443.955328 where: bonds (distance) C4'-P energy: -89.673 bonds (distance) P-C4' energy: -102.651 flat angles C4'-P-C4' energy: -90.578 flat angles P-C4'-P energy: -66.360 tors. eta vs tors. theta energy: -94.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -1153.524978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.524978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.524978 (E_RNA) where: Base-Base interactions energy: -731.055 where: short stacking energy: -333.839 Base-Backbone interact. energy: -1.679 local terms energy: -420.790249 where: bonds (distance) C4'-P energy: -83.690 bonds (distance) P-C4' energy: -84.984 flat angles C4'-P-C4' energy: -101.999 flat angles P-C4'-P energy: -69.759 tors. eta vs tors. theta energy: -80.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1045.798057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.798057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.798057 (E_RNA) where: Base-Base interactions energy: -651.628 where: short stacking energy: -304.057 Base-Backbone interact. energy: 2.341 local terms energy: -396.511268 where: bonds (distance) C4'-P energy: -66.147 bonds (distance) P-C4' energy: -84.359 flat angles C4'-P-C4' energy: -94.186 flat angles P-C4'-P energy: -67.924 tors. eta vs tors. theta energy: -83.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -875.847569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.847569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.847569 (E_RNA) where: Base-Base interactions energy: -521.762 where: short stacking energy: -244.954 Base-Backbone interact. energy: 1.775 local terms energy: -355.860391 where: bonds (distance) C4'-P energy: -86.431 bonds (distance) P-C4' energy: -91.261 flat angles C4'-P-C4' energy: -84.658 flat angles P-C4'-P energy: -51.684 tors. eta vs tors. theta energy: -41.827 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: 10 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -772.585772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.585772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.585772 (E_RNA) where: Base-Base interactions energy: -465.177 where: short stacking energy: -215.521 Base-Backbone interact. energy: 3.419 local terms energy: -310.827858 where: bonds (distance) C4'-P energy: -78.566 bonds (distance) P-C4' energy: -77.020 flat angles C4'-P-C4' energy: -73.107 flat angles P-C4'-P energy: -42.345 tors. eta vs tors. theta energy: -39.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -610.369001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.369001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.369001 (E_RNA) where: Base-Base interactions energy: -295.566 where: short stacking energy: -157.202 Base-Backbone interact. energy: -0.663 local terms energy: -314.140488 where: bonds (distance) C4'-P energy: -75.876 bonds (distance) P-C4' energy: -92.339 flat angles C4'-P-C4' energy: -77.651 flat angles P-C4'-P energy: -61.599 tors. eta vs tors. theta energy: -6.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -483.194161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.194161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.194161 (E_RNA) where: Base-Base interactions energy: -231.726 where: short stacking energy: -121.233 Base-Backbone interact. energy: -1.630 local terms energy: -249.838066 where: bonds (distance) C4'-P energy: -76.635 bonds (distance) P-C4' energy: -72.481 flat angles C4'-P-C4' energy: -60.121 flat angles P-C4'-P energy: -48.771 tors. eta vs tors. theta energy: 8.170 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: 9 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1527.839214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.839214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.839214 (E_RNA) where: Base-Base interactions energy: -1046.227 where: short stacking energy: -446.491 Base-Backbone interact. energy: -6.841 local terms energy: -474.772059 where: bonds (distance) C4'-P energy: -95.017 bonds (distance) P-C4' energy: -90.586 flat angles C4'-P-C4' energy: -100.986 flat angles P-C4'-P energy: -64.759 tors. eta vs tors. theta energy: -123.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1403.919760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.919760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.919760 (E_RNA) where: Base-Base interactions energy: -926.468 where: short stacking energy: -431.858 Base-Backbone interact. energy: -3.367 local terms energy: -474.084645 where: bonds (distance) C4'-P energy: -81.223 bonds (distance) P-C4' energy: -102.916 flat angles C4'-P-C4' energy: -101.297 flat angles P-C4'-P energy: -69.063 tors. eta vs tors. theta energy: -119.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1310.553254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.553254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.553254 (E_RNA) where: Base-Base interactions energy: -850.030 where: short stacking energy: -387.395 Base-Backbone interact. energy: 0.385 local terms energy: -460.908073 where: bonds (distance) C4'-P energy: -87.585 bonds (distance) P-C4' energy: -98.767 flat angles C4'-P-C4' energy: -85.641 flat angles P-C4'-P energy: -73.348 tors. eta vs tors. theta energy: -115.567 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: 3 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1201.053705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.053705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.053705 (E_RNA) where: Base-Base interactions energy: -764.054 where: short stacking energy: -377.088 Base-Backbone interact. energy: -0.310 local terms energy: -436.689631 where: bonds (distance) C4'-P energy: -98.471 bonds (distance) P-C4' energy: -89.033 flat angles C4'-P-C4' energy: -94.893 flat angles P-C4'-P energy: -60.854 tors. eta vs tors. theta energy: -93.438 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: 7 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -1134.778657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.778657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.778657 (E_RNA) where: Base-Base interactions energy: -712.825 where: short stacking energy: -339.161 Base-Backbone interact. energy: -1.439 local terms energy: -420.514519 where: bonds (distance) C4'-P energy: -92.298 bonds (distance) P-C4' energy: -86.088 flat angles C4'-P-C4' energy: -95.470 flat angles P-C4'-P energy: -65.872 tors. eta vs tors. theta energy: -80.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -1022.287887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.287887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.287887 (E_RNA) where: Base-Base interactions energy: -654.372 where: short stacking energy: -311.393 Base-Backbone interact. energy: 1.212 local terms energy: -369.127978 where: bonds (distance) C4'-P energy: -88.065 bonds (distance) P-C4' energy: -82.939 flat angles C4'-P-C4' energy: -86.999 flat angles P-C4'-P energy: -43.148 tors. eta vs tors. theta energy: -67.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -833.795610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.795610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.795610 (E_RNA) where: Base-Base interactions energy: -504.318 where: short stacking energy: -248.587 Base-Backbone interact. energy: 1.370 local terms energy: -330.847490 where: bonds (distance) C4'-P energy: -81.643 bonds (distance) P-C4' energy: -73.407 flat angles C4'-P-C4' energy: -85.005 flat angles P-C4'-P energy: -45.631 tors. eta vs tors. theta energy: -45.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -779.021243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.021243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.021243 (E_RNA) where: Base-Base interactions energy: -457.369 where: short stacking energy: -228.424 Base-Backbone interact. energy: -0.699 local terms energy: -320.953047 where: bonds (distance) C4'-P energy: -77.383 bonds (distance) P-C4' energy: -66.286 flat angles C4'-P-C4' energy: -80.021 flat angles P-C4'-P energy: -63.484 tors. eta vs tors. theta energy: -33.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -597.282325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.282325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.282325 (E_RNA) where: Base-Base interactions energy: -298.999 where: short stacking energy: -151.473 Base-Backbone interact. energy: -2.184 local terms energy: -296.099429 where: bonds (distance) C4'-P energy: -79.659 bonds (distance) P-C4' energy: -87.812 flat angles C4'-P-C4' energy: -77.569 flat angles P-C4'-P energy: -48.685 tors. eta vs tors. theta energy: -2.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -554.781295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.781295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.781295 (E_RNA) where: Base-Base interactions energy: -295.133 where: short stacking energy: -166.578 Base-Backbone interact. energy: -3.907 local terms energy: -255.742042 where: bonds (distance) C4'-P energy: -55.794 bonds (distance) P-C4' energy: -72.611 flat angles C4'-P-C4' energy: -73.370 flat angles P-C4'-P energy: -50.402 tors. eta vs tors. theta energy: -3.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1533.597835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.597835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.597835 (E_RNA) where: Base-Base interactions energy: -1039.949 where: short stacking energy: -471.185 Base-Backbone interact. energy: -3.213 local terms energy: -490.435444 where: bonds (distance) C4'-P energy: -95.950 bonds (distance) P-C4' energy: -90.609 flat angles C4'-P-C4' energy: -96.381 flat angles P-C4'-P energy: -75.552 tors. eta vs tors. theta energy: -131.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1421.862636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.862636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.862636 (E_RNA) where: Base-Base interactions energy: -940.510 where: short stacking energy: -447.534 Base-Backbone interact. energy: -6.056 local terms energy: -475.296167 where: bonds (distance) C4'-P energy: -79.566 bonds (distance) P-C4' energy: -105.564 flat angles C4'-P-C4' energy: -100.596 flat angles P-C4'-P energy: -69.372 tors. eta vs tors. theta energy: -120.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1305.170517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.170517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.170517 (E_RNA) where: Base-Base interactions energy: -849.833 where: short stacking energy: -379.148 Base-Backbone interact. energy: -0.959 local terms energy: -454.378557 where: bonds (distance) C4'-P energy: -97.391 bonds (distance) P-C4' energy: -103.714 flat angles C4'-P-C4' energy: -93.734 flat angles P-C4'-P energy: -55.255 tors. eta vs tors. theta energy: -104.284 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: 3 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -1197.066143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.066143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.066143 (E_RNA) where: Base-Base interactions energy: -784.492 where: short stacking energy: -360.400 Base-Backbone interact. energy: 3.108 local terms energy: -415.682515 where: bonds (distance) C4'-P energy: -87.195 bonds (distance) P-C4' energy: -86.076 flat angles C4'-P-C4' energy: -97.800 flat angles P-C4'-P energy: -62.127 tors. eta vs tors. theta energy: -82.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -1131.408508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.408508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.408508 (E_RNA) where: Base-Base interactions energy: -686.332 where: short stacking energy: -337.435 Base-Backbone interact. energy: -0.700 local terms energy: -444.376359 where: bonds (distance) C4'-P energy: -78.994 bonds (distance) P-C4' energy: -109.414 flat angles C4'-P-C4' energy: -101.571 flat angles P-C4'-P energy: -62.298 tors. eta vs tors. theta energy: -92.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -1048.172615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.172615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.172615 (E_RNA) where: Base-Base interactions energy: -670.862 where: short stacking energy: -298.697 Base-Backbone interact. energy: -1.752 local terms energy: -375.558675 where: bonds (distance) C4'-P energy: -86.124 bonds (distance) P-C4' energy: -81.802 flat angles C4'-P-C4' energy: -83.272 flat angles P-C4'-P energy: -50.997 tors. eta vs tors. theta energy: -73.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -848.984178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.984178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.984178 (E_RNA) where: Base-Base interactions energy: -498.076 where: short stacking energy: -259.016 Base-Backbone interact. energy: -1.879 local terms energy: -349.029916 where: bonds (distance) C4'-P energy: -73.251 bonds (distance) P-C4' energy: -83.819 flat angles C4'-P-C4' energy: -84.920 flat angles P-C4'-P energy: -52.298 tors. eta vs tors. theta energy: -54.742 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: 8, replica: 10 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -762.662717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.662717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.662717 (E_RNA) where: Base-Base interactions energy: -444.286 where: short stacking energy: -227.940 Base-Backbone interact. energy: -1.339 local terms energy: -317.037972 where: bonds (distance) C4'-P energy: -79.672 bonds (distance) P-C4' energy: -85.778 flat angles C4'-P-C4' energy: -61.943 flat angles P-C4'-P energy: -41.410 tors. eta vs tors. theta energy: -48.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -606.071302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.071302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.071302 (E_RNA) where: Base-Base interactions energy: -306.574 where: short stacking energy: -161.733 Base-Backbone interact. energy: 1.374 local terms energy: -300.871296 where: bonds (distance) C4'-P energy: -85.640 bonds (distance) P-C4' energy: -86.175 flat angles C4'-P-C4' energy: -74.003 flat angles P-C4'-P energy: -50.921 tors. eta vs tors. theta energy: -4.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -481.191399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.191399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.191399 (E_RNA) where: Base-Base interactions energy: -218.920 where: short stacking energy: -133.046 Base-Backbone interact. energy: -0.674 local terms energy: -261.597266 where: bonds (distance) C4'-P energy: -70.680 bonds (distance) P-C4' energy: -76.167 flat angles C4'-P-C4' energy: -62.287 flat angles P-C4'-P energy: -48.113 tors. eta vs tors. theta energy: -4.351 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: 9 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1534.627688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.627688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.627688 (E_RNA) where: Base-Base interactions energy: -1029.955 where: short stacking energy: -451.247 Base-Backbone interact. energy: -2.916 local terms energy: -501.756769 where: bonds (distance) C4'-P energy: -100.094 bonds (distance) P-C4' energy: -91.886 flat angles C4'-P-C4' energy: -102.764 flat angles P-C4'-P energy: -79.854 tors. eta vs tors. theta energy: -127.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1376.330956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.330956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.330956 (E_RNA) where: Base-Base interactions energy: -904.846 where: short stacking energy: -422.337 Base-Backbone interact. energy: -0.233 local terms energy: -471.251748 where: bonds (distance) C4'-P energy: -81.412 bonds (distance) P-C4' energy: -100.148 flat angles C4'-P-C4' energy: -106.674 flat angles P-C4'-P energy: -63.928 tors. eta vs tors. theta energy: -119.090 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: 2 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1310.909463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.909463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.909463 (E_RNA) where: Base-Base interactions energy: -840.199 where: short stacking energy: -407.553 Base-Backbone interact. energy: -0.063 local terms energy: -470.646590 where: bonds (distance) C4'-P energy: -98.455 bonds (distance) P-C4' energy: -90.240 flat angles C4'-P-C4' energy: -94.636 flat angles P-C4'-P energy: -72.868 tors. eta vs tors. theta energy: -114.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1171.447072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.447072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.447072 (E_RNA) where: Base-Base interactions energy: -749.994 where: short stacking energy: -348.683 Base-Backbone interact. energy: -0.359 local terms energy: -421.093950 where: bonds (distance) C4'-P energy: -79.844 bonds (distance) P-C4' energy: -96.812 flat angles C4'-P-C4' energy: -85.690 flat angles P-C4'-P energy: -64.138 tors. eta vs tors. theta energy: -94.611 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: 6 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -1096.512556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.512556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.512556 (E_RNA) where: Base-Base interactions energy: -689.644 where: short stacking energy: -351.135 Base-Backbone interact. energy: 0.412 local terms energy: -407.280579 where: bonds (distance) C4'-P energy: -90.226 bonds (distance) P-C4' energy: -84.480 flat angles C4'-P-C4' energy: -94.709 flat angles P-C4'-P energy: -58.354 tors. eta vs tors. theta energy: -79.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1043.590380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.590380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.590380 (E_RNA) where: Base-Base interactions energy: -672.427 where: short stacking energy: -309.419 Base-Backbone interact. energy: 2.960 local terms energy: -374.123960 where: bonds (distance) C4'-P energy: -86.790 bonds (distance) P-C4' energy: -88.016 flat angles C4'-P-C4' energy: -78.017 flat angles P-C4'-P energy: -53.718 tors. eta vs tors. theta energy: -67.582 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: 1 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -808.439795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.439795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.439795 (E_RNA) where: Base-Base interactions energy: -468.637 where: short stacking energy: -238.962 Base-Backbone interact. energy: -0.286 local terms energy: -339.516793 where: bonds (distance) C4'-P energy: -73.460 bonds (distance) P-C4' energy: -79.793 flat angles C4'-P-C4' energy: -87.971 flat angles P-C4'-P energy: -53.222 tors. eta vs tors. theta energy: -45.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -741.289306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.289306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.289306 (E_RNA) where: Base-Base interactions energy: -443.999 where: short stacking energy: -241.766 Base-Backbone interact. energy: -1.071 local terms energy: -296.219554 where: bonds (distance) C4'-P energy: -75.058 bonds (distance) P-C4' energy: -74.444 flat angles C4'-P-C4' energy: -74.305 flat angles P-C4'-P energy: -51.252 tors. eta vs tors. theta energy: -21.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -566.700227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.700227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.700227 (E_RNA) where: Base-Base interactions energy: -280.019 where: short stacking energy: -134.443 Base-Backbone interact. energy: -2.877 local terms energy: -283.803497 where: bonds (distance) C4'-P energy: -71.216 bonds (distance) P-C4' energy: -88.478 flat angles C4'-P-C4' energy: -66.198 flat angles P-C4'-P energy: -49.385 tors. eta vs tors. theta energy: -8.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -494.576754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.576754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.576754 (E_RNA) where: Base-Base interactions energy: -241.315 where: short stacking energy: -137.933 Base-Backbone interact. energy: 2.478 local terms energy: -255.740100 where: bonds (distance) C4'-P energy: -90.603 bonds (distance) P-C4' energy: -67.373 flat angles C4'-P-C4' energy: -57.892 flat angles P-C4'-P energy: -40.713 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: 1, replica: 9 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1546.198670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.198670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.198670 (E_RNA) where: Base-Base interactions energy: -1044.627 where: short stacking energy: -440.039 Base-Backbone interact. energy: -1.986 local terms energy: -499.585591 where: bonds (distance) C4'-P energy: -92.794 bonds (distance) P-C4' energy: -97.583 flat angles C4'-P-C4' energy: -106.692 flat angles P-C4'-P energy: -79.733 tors. eta vs tors. theta energy: -122.784 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: 5 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1395.179988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.179988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.179988 (E_RNA) where: Base-Base interactions energy: -910.615 where: short stacking energy: -414.380 Base-Backbone interact. energy: -2.557 local terms energy: -482.008271 where: bonds (distance) C4'-P energy: -100.440 bonds (distance) P-C4' energy: -104.166 flat angles C4'-P-C4' energy: -104.883 flat angles P-C4'-P energy: -62.754 tors. eta vs tors. theta energy: -109.765 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: 3, replica: 3 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1209.236232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.236232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.236232 (E_RNA) where: Base-Base interactions energy: -780.829 where: short stacking energy: -365.531 Base-Backbone interact. energy: 1.097 local terms energy: -429.503436 where: bonds (distance) C4'-P energy: -91.276 bonds (distance) P-C4' energy: -98.841 flat angles C4'-P-C4' energy: -97.482 flat angles P-C4'-P energy: -60.371 tors. eta vs tors. theta energy: -81.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1276.864259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.864259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.864259 (E_RNA) where: Base-Base interactions energy: -833.193 where: short stacking energy: -370.570 Base-Backbone interact. energy: -2.178 local terms energy: -441.492997 where: bonds (distance) C4'-P energy: -89.669 bonds (distance) P-C4' energy: -89.558 flat angles C4'-P-C4' energy: -89.149 flat angles P-C4'-P energy: -65.057 tors. eta vs tors. theta energy: -108.060 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: 6 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -1082.903738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.903738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.903738 (E_RNA) where: Base-Base interactions energy: -701.096 where: short stacking energy: -333.720 Base-Backbone interact. energy: 0.065 local terms energy: -381.872346 where: bonds (distance) C4'-P energy: -78.554 bonds (distance) P-C4' energy: -87.420 flat angles C4'-P-C4' energy: -98.995 flat angles P-C4'-P energy: -42.047 tors. eta vs tors. theta energy: -74.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1040.814213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.814213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.814213 (E_RNA) where: Base-Base interactions energy: -647.115 where: short stacking energy: -293.598 Base-Backbone interact. energy: -0.083 local terms energy: -393.615591 where: bonds (distance) C4'-P energy: -84.799 bonds (distance) P-C4' energy: -90.034 flat angles C4'-P-C4' energy: -93.664 flat angles P-C4'-P energy: -56.242 tors. eta vs tors. theta energy: -68.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -822.871621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.871621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.871621 (E_RNA) where: Base-Base interactions energy: -453.397 where: short stacking energy: -245.529 Base-Backbone interact. energy: -1.894 local terms energy: -367.580133 where: bonds (distance) C4'-P energy: -94.753 bonds (distance) P-C4' energy: -87.459 flat angles C4'-P-C4' energy: -86.163 flat angles P-C4'-P energy: -52.045 tors. eta vs tors. theta energy: -47.160 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: 10 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -730.413982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.413982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.413982 (E_RNA) where: Base-Base interactions energy: -441.217 where: short stacking energy: -224.745 Base-Backbone interact. energy: 1.478 local terms energy: -290.674812 where: bonds (distance) C4'-P energy: -70.930 bonds (distance) P-C4' energy: -66.927 flat angles C4'-P-C4' energy: -66.499 flat angles P-C4'-P energy: -47.907 tors. eta vs tors. theta energy: -38.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -644.849932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.849932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.849932 (E_RNA) where: Base-Base interactions energy: -346.629 where: short stacking energy: -189.615 Base-Backbone interact. energy: 0.126 local terms energy: -298.347484 where: bonds (distance) C4'-P energy: -80.807 bonds (distance) P-C4' energy: -76.885 flat angles C4'-P-C4' energy: -83.082 flat angles P-C4'-P energy: -41.966 tors. eta vs tors. theta energy: -15.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -473.309489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.309489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.309489 (E_RNA) where: Base-Base interactions energy: -218.993 where: short stacking energy: -135.860 Base-Backbone interact. energy: 1.055 local terms energy: -255.371451 where: bonds (distance) C4'-P energy: -85.596 bonds (distance) P-C4' energy: -81.751 flat angles C4'-P-C4' energy: -53.353 flat angles P-C4'-P energy: -43.313 tors. eta vs tors. theta energy: 8.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1531.226158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.226158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.226158 (E_RNA) where: Base-Base interactions energy: -1034.232 where: short stacking energy: -448.881 Base-Backbone interact. energy: -2.791 local terms energy: -494.203539 where: bonds (distance) C4'-P energy: -98.966 bonds (distance) P-C4' energy: -97.719 flat angles C4'-P-C4' energy: -102.941 flat angles P-C4'-P energy: -67.691 tors. eta vs tors. theta energy: -126.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1399.950259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.950259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.950259 (E_RNA) where: Base-Base interactions energy: -913.971 where: short stacking energy: -431.708 Base-Backbone interact. energy: -1.586 local terms energy: -484.393365 where: bonds (distance) C4'-P energy: -90.267 bonds (distance) P-C4' energy: -94.770 flat angles C4'-P-C4' energy: -112.008 flat angles P-C4'-P energy: -67.926 tors. eta vs tors. theta energy: -119.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1249.084137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.084137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.084137 (E_RNA) where: Base-Base interactions energy: -817.959 where: short stacking energy: -411.532 Base-Backbone interact. energy: -0.476 local terms energy: -430.649384 where: bonds (distance) C4'-P energy: -87.301 bonds (distance) P-C4' energy: -82.223 flat angles C4'-P-C4' energy: -94.475 flat angles P-C4'-P energy: -70.555 tors. eta vs tors. theta energy: -96.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1251.358575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.358575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.358575 (E_RNA) where: Base-Base interactions energy: -812.534 where: short stacking energy: -372.649 Base-Backbone interact. energy: -1.053 local terms energy: -437.772062 where: bonds (distance) C4'-P energy: -82.695 bonds (distance) P-C4' energy: -98.069 flat angles C4'-P-C4' energy: -92.458 flat angles P-C4'-P energy: -53.423 tors. eta vs tors. theta energy: -111.127 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: 6 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -1126.660804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.660804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.660804 (E_RNA) where: Base-Base interactions energy: -723.077 where: short stacking energy: -379.041 Base-Backbone interact. energy: -1.793 local terms energy: -401.789966 where: bonds (distance) C4'-P energy: -89.419 bonds (distance) P-C4' energy: -86.784 flat angles C4'-P-C4' energy: -80.940 flat angles P-C4'-P energy: -48.408 tors. eta vs tors. theta energy: -96.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1096.395049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.395049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.395049 (E_RNA) where: Base-Base interactions energy: -697.669 where: short stacking energy: -307.518 Base-Backbone interact. energy: -1.534 local terms energy: -397.192057 where: bonds (distance) C4'-P energy: -74.160 bonds (distance) P-C4' energy: -88.103 flat angles C4'-P-C4' energy: -98.722 flat angles P-C4'-P energy: -53.344 tors. eta vs tors. theta energy: -82.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -832.725819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.725819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.725819 (E_RNA) where: Base-Base interactions energy: -480.151 where: short stacking energy: -234.258 Base-Backbone interact. energy: -1.600 local terms energy: -350.975136 where: bonds (distance) C4'-P energy: -94.639 bonds (distance) P-C4' energy: -85.831 flat angles C4'-P-C4' energy: -85.417 flat angles P-C4'-P energy: -48.395 tors. eta vs tors. theta energy: -36.693 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: 329 Temperature: 1.250000 Total energy: -741.886504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.886504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.886504 (E_RNA) where: Base-Base interactions energy: -429.630 where: short stacking energy: -239.341 Base-Backbone interact. energy: -2.554 local terms energy: -309.702945 where: bonds (distance) C4'-P energy: -73.143 bonds (distance) P-C4' energy: -76.031 flat angles C4'-P-C4' energy: -89.954 flat angles P-C4'-P energy: -37.994 tors. eta vs tors. theta energy: -32.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -596.918732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.918732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.918732 (E_RNA) where: Base-Base interactions energy: -326.669 where: short stacking energy: -180.088 Base-Backbone interact. energy: -0.541 local terms energy: -269.708915 where: bonds (distance) C4'-P energy: -73.121 bonds (distance) P-C4' energy: -81.899 flat angles C4'-P-C4' energy: -55.985 flat angles P-C4'-P energy: -42.215 tors. eta vs tors. theta energy: -16.489 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: 8 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -454.549834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.549834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.549834 (E_RNA) where: Base-Base interactions energy: -218.671 where: short stacking energy: -137.571 Base-Backbone interact. energy: 2.095 local terms energy: -237.973873 where: bonds (distance) C4'-P energy: -65.258 bonds (distance) P-C4' energy: -84.976 flat angles C4'-P-C4' energy: -49.686 flat angles P-C4'-P energy: -41.357 tors. eta vs tors. theta energy: 3.303 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: 9 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1533.303000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.303000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.303000 (E_RNA) where: Base-Base interactions energy: -1051.769 where: short stacking energy: -455.182 Base-Backbone interact. energy: -2.573 local terms energy: -478.960955 where: bonds (distance) C4'-P energy: -91.334 bonds (distance) P-C4' energy: -84.568 flat angles C4'-P-C4' energy: -104.798 flat angles P-C4'-P energy: -69.363 tors. eta vs tors. theta energy: -128.899 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: 5 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1426.078387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.078387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.078387 (E_RNA) where: Base-Base interactions energy: -944.328 where: short stacking energy: -457.947 Base-Backbone interact. energy: -2.939 local terms energy: -478.811458 where: bonds (distance) C4'-P energy: -74.979 bonds (distance) P-C4' energy: -91.694 flat angles C4'-P-C4' energy: -106.647 flat angles P-C4'-P energy: -68.141 tors. eta vs tors. theta energy: -137.349 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: 3, replica: 2 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1303.839132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.839132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.839132 (E_RNA) where: Base-Base interactions energy: -827.080 where: short stacking energy: -387.645 Base-Backbone interact. energy: -1.067 local terms energy: -475.692668 where: bonds (distance) C4'-P energy: -95.954 bonds (distance) P-C4' energy: -91.945 flat angles C4'-P-C4' energy: -108.154 flat angles P-C4'-P energy: -69.020 tors. eta vs tors. theta energy: -110.619 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: 4, replica: 3 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1241.069277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.069277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.069277 (E_RNA) where: Base-Base interactions energy: -805.568 where: short stacking energy: -387.460 Base-Backbone interact. energy: 0.433 local terms energy: -435.933436 where: bonds (distance) C4'-P energy: -87.344 bonds (distance) P-C4' energy: -102.655 flat angles C4'-P-C4' energy: -94.957 flat angles P-C4'-P energy: -58.193 tors. eta vs tors. theta energy: -92.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -1138.353724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.353724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.353724 (E_RNA) where: Base-Base interactions energy: -713.180 where: short stacking energy: -336.793 Base-Backbone interact. energy: -3.016 local terms energy: -422.158599 where: bonds (distance) C4'-P energy: -95.351 bonds (distance) P-C4' energy: -80.588 flat angles C4'-P-C4' energy: -95.852 flat angles P-C4'-P energy: -67.860 tors. eta vs tors. theta energy: -82.508 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: 6 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1071.176873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.176873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.176873 (E_RNA) where: Base-Base interactions energy: -678.910 where: short stacking energy: -343.743 Base-Backbone interact. energy: -0.876 local terms energy: -391.391178 where: bonds (distance) C4'-P energy: -87.598 bonds (distance) P-C4' energy: -88.525 flat angles C4'-P-C4' energy: -77.023 flat angles P-C4'-P energy: -54.213 tors. eta vs tors. theta energy: -84.033 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: 1 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -830.447021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.447021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.447021 (E_RNA) where: Base-Base interactions energy: -492.933 where: short stacking energy: -227.963 Base-Backbone interact. energy: -1.862 local terms energy: -335.651674 where: bonds (distance) C4'-P energy: -84.675 bonds (distance) P-C4' energy: -92.453 flat angles C4'-P-C4' energy: -85.101 flat angles P-C4'-P energy: -38.454 tors. eta vs tors. theta energy: -34.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -721.123673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.123673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.123673 (E_RNA) where: Base-Base interactions energy: -405.184 where: short stacking energy: -213.014 Base-Backbone interact. energy: -0.913 local terms energy: -315.027104 where: bonds (distance) C4'-P energy: -90.327 bonds (distance) P-C4' energy: -73.677 flat angles C4'-P-C4' energy: -80.309 flat angles P-C4'-P energy: -49.473 tors. eta vs tors. theta energy: -21.241 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: 330 Temperature: 1.300000 Total energy: -604.525433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.525433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.525433 (E_RNA) where: Base-Base interactions energy: -308.818 where: short stacking energy: -166.512 Base-Backbone interact. energy: 1.758 local terms energy: -297.465290 where: bonds (distance) C4'-P energy: -84.461 bonds (distance) P-C4' energy: -88.298 flat angles C4'-P-C4' energy: -76.942 flat angles P-C4'-P energy: -44.313 tors. eta vs tors. theta energy: -3.452 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: 10, replica: 8 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -470.243115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.243115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.243115 (E_RNA) where: Base-Base interactions energy: -208.826 where: short stacking energy: -123.574 Base-Backbone interact. energy: -3.191 local terms energy: -258.226706 where: bonds (distance) C4'-P energy: -74.397 bonds (distance) P-C4' energy: -80.360 flat angles C4'-P-C4' energy: -65.999 flat angles P-C4'-P energy: -36.766 tors. eta vs tors. theta energy: -0.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1548.412892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.412892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.412892 (E_RNA) where: Base-Base interactions energy: -1060.174 where: short stacking energy: -482.192 Base-Backbone interact. energy: -0.698 local terms energy: -487.540466 where: bonds (distance) C4'-P energy: -89.551 bonds (distance) P-C4' energy: -90.311 flat angles C4'-P-C4' energy: -98.364 flat angles P-C4'-P energy: -65.297 tors. eta vs tors. theta energy: -144.017 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: 5 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1421.011200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.011200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.011200 (E_RNA) where: Base-Base interactions energy: -942.391 where: short stacking energy: -431.447 Base-Backbone interact. energy: -0.765 local terms energy: -477.854754 where: bonds (distance) C4'-P energy: -91.842 bonds (distance) P-C4' energy: -96.206 flat angles C4'-P-C4' energy: -105.015 flat angles P-C4'-P energy: -59.542 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: 3, replica: 2 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1316.553980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.553980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.553980 (E_RNA) where: Base-Base interactions energy: -879.763 where: short stacking energy: -376.076 Base-Backbone interact. energy: 0.250 local terms energy: -437.040878 where: bonds (distance) C4'-P energy: -79.603 bonds (distance) P-C4' energy: -92.832 flat angles C4'-P-C4' energy: -89.382 flat angles P-C4'-P energy: -71.153 tors. eta vs tors. theta energy: -104.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1214.373215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.373215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.373215 (E_RNA) where: Base-Base interactions energy: -776.985 where: short stacking energy: -375.921 Base-Backbone interact. energy: 2.027 local terms energy: -439.415070 where: bonds (distance) C4'-P energy: -92.671 bonds (distance) P-C4' energy: -73.292 flat angles C4'-P-C4' energy: -102.375 flat angles P-C4'-P energy: -72.582 tors. eta vs tors. theta energy: -98.495 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: 7 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1102.997368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.997368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.997368 (E_RNA) where: Base-Base interactions energy: -706.604 where: short stacking energy: -327.514 Base-Backbone interact. energy: -2.398 local terms energy: -393.995570 where: bonds (distance) C4'-P energy: -74.066 bonds (distance) P-C4' energy: -94.911 flat angles C4'-P-C4' energy: -75.630 flat angles P-C4'-P energy: -72.393 tors. eta vs tors. theta energy: -76.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1064.113604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.113604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.113604 (E_RNA) where: Base-Base interactions energy: -663.364 where: short stacking energy: -306.892 Base-Backbone interact. energy: 0.063 local terms energy: -400.812743 where: bonds (distance) C4'-P energy: -85.196 bonds (distance) P-C4' energy: -91.785 flat angles C4'-P-C4' energy: -91.463 flat angles P-C4'-P energy: -54.155 tors. eta vs tors. theta energy: -78.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -803.678778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.678778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.678778 (E_RNA) where: Base-Base interactions energy: -485.147 where: short stacking energy: -214.727 Base-Backbone interact. energy: -2.104 local terms energy: -316.427044 where: bonds (distance) C4'-P energy: -82.831 bonds (distance) P-C4' energy: -81.472 flat angles C4'-P-C4' energy: -74.063 flat angles P-C4'-P energy: -48.932 tors. eta vs tors. theta energy: -29.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -753.897611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.897611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.897611 (E_RNA) where: Base-Base interactions energy: -435.643 where: short stacking energy: -216.775 Base-Backbone interact. energy: -0.874 local terms energy: -317.380670 where: bonds (distance) C4'-P energy: -79.063 bonds (distance) P-C4' energy: -84.350 flat angles C4'-P-C4' energy: -75.741 flat angles P-C4'-P energy: -46.207 tors. eta vs tors. theta energy: -32.020 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: 331 Temperature: 1.300000 Total energy: -628.648569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.648569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.648569 (E_RNA) where: Base-Base interactions energy: -332.829 where: short stacking energy: -174.281 Base-Backbone interact. energy: -0.618 local terms energy: -295.201812 where: bonds (distance) C4'-P energy: -79.772 bonds (distance) P-C4' energy: -83.296 flat angles C4'-P-C4' energy: -86.883 flat angles P-C4'-P energy: -27.288 tors. eta vs tors. theta energy: -17.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -484.214960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.214960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.214960 (E_RNA) where: Base-Base interactions energy: -228.611 where: short stacking energy: -132.423 Base-Backbone interact. energy: -0.666 local terms energy: -254.938131 where: bonds (distance) C4'-P energy: -74.407 bonds (distance) P-C4' energy: -75.825 flat angles C4'-P-C4' energy: -66.699 flat angles P-C4'-P energy: -35.868 tors. eta vs tors. theta energy: -2.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1563.621529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.621529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.621529 (E_RNA) where: Base-Base interactions energy: -1036.329 where: short stacking energy: -467.244 Base-Backbone interact. energy: -2.922 local terms energy: -524.370085 where: bonds (distance) C4'-P energy: -101.971 bonds (distance) P-C4' energy: -106.862 flat angles C4'-P-C4' energy: -104.076 flat angles P-C4'-P energy: -75.084 tors. eta vs tors. theta energy: -136.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1438.644495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.644495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.644495 (E_RNA) where: Base-Base interactions energy: -940.108 where: short stacking energy: -438.185 Base-Backbone interact. energy: -2.245 local terms energy: -496.290746 where: bonds (distance) C4'-P energy: -99.515 bonds (distance) P-C4' energy: -88.527 flat angles C4'-P-C4' energy: -103.436 flat angles P-C4'-P energy: -73.482 tors. eta vs tors. theta energy: -131.331 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: 332 Temperature: 1.000000 Total energy: -1263.021124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.021124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.021124 (E_RNA) where: Base-Base interactions energy: -823.197 where: short stacking energy: -360.609 Base-Backbone interact. energy: -0.334 local terms energy: -439.490620 where: bonds (distance) C4'-P energy: -82.718 bonds (distance) P-C4' energy: -95.296 flat angles C4'-P-C4' energy: -93.669 flat angles P-C4'-P energy: -67.194 tors. eta vs tors. theta energy: -100.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1204.566858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.566858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.566858 (E_RNA) where: Base-Base interactions energy: -780.570 where: short stacking energy: -376.661 Base-Backbone interact. energy: -0.190 local terms energy: -423.806646 where: bonds (distance) C4'-P energy: -74.391 bonds (distance) P-C4' energy: -99.931 flat angles C4'-P-C4' energy: -92.395 flat angles P-C4'-P energy: -58.868 tors. eta vs tors. theta energy: -98.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -1086.271128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.271128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.271128 (E_RNA) where: Base-Base interactions energy: -702.889 where: short stacking energy: -320.687 Base-Backbone interact. energy: -0.760 local terms energy: -382.622010 where: bonds (distance) C4'-P energy: -73.643 bonds (distance) P-C4' energy: -90.972 flat angles C4'-P-C4' energy: -96.551 flat angles P-C4'-P energy: -54.103 tors. eta vs tors. theta energy: -67.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1090.955963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.955963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.955963 (E_RNA) where: Base-Base interactions energy: -692.842 where: short stacking energy: -341.493 Base-Backbone interact. energy: 1.446 local terms energy: -399.559974 where: bonds (distance) C4'-P energy: -83.550 bonds (distance) P-C4' energy: -96.490 flat angles C4'-P-C4' energy: -87.738 flat angles P-C4'-P energy: -49.291 tors. eta vs tors. theta energy: -82.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -790.259637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.259637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.259637 (E_RNA) where: Base-Base interactions energy: -432.532 where: short stacking energy: -240.829 Base-Backbone interact. energy: -0.080 local terms energy: -357.647863 where: bonds (distance) C4'-P energy: -87.172 bonds (distance) P-C4' energy: -78.276 flat angles C4'-P-C4' energy: -71.246 flat angles P-C4'-P energy: -64.550 tors. eta vs tors. theta energy: -56.405 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: 1 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -791.183985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.183985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.183985 (E_RNA) where: Base-Base interactions energy: -439.513 where: short stacking energy: -235.190 Base-Backbone interact. energy: 3.916 local terms energy: -355.587206 where: bonds (distance) C4'-P energy: -71.051 bonds (distance) P-C4' energy: -76.728 flat angles C4'-P-C4' energy: -92.379 flat angles P-C4'-P energy: -59.897 tors. eta vs tors. theta energy: -55.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -598.687735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.687735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.687735 (E_RNA) where: Base-Base interactions energy: -344.328 where: short stacking energy: -194.994 Base-Backbone interact. energy: -1.711 local terms energy: -252.648704 where: bonds (distance) C4'-P energy: -61.643 bonds (distance) P-C4' energy: -86.029 flat angles C4'-P-C4' energy: -52.272 flat angles P-C4'-P energy: -37.581 tors. eta vs tors. theta energy: -15.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -474.958233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.958233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.958233 (E_RNA) where: Base-Base interactions energy: -221.730 where: short stacking energy: -135.069 Base-Backbone interact. energy: -0.937 local terms energy: -252.291469 where: bonds (distance) C4'-P energy: -85.357 bonds (distance) P-C4' energy: -69.915 flat angles C4'-P-C4' energy: -53.491 flat angles P-C4'-P energy: -45.304 tors. eta vs tors. theta energy: 1.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1519.599793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.599793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.599793 (E_RNA) where: Base-Base interactions energy: -1042.226 where: short stacking energy: -448.653 Base-Backbone interact. energy: -1.498 local terms energy: -475.876435 where: bonds (distance) C4'-P energy: -93.337 bonds (distance) P-C4' energy: -93.112 flat angles C4'-P-C4' energy: -103.673 flat angles P-C4'-P energy: -67.389 tors. eta vs tors. theta energy: -118.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1391.948415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.948415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.948415 (E_RNA) where: Base-Base interactions energy: -912.335 where: short stacking energy: -452.421 Base-Backbone interact. energy: -0.927 local terms energy: -478.686387 where: bonds (distance) C4'-P energy: -88.135 bonds (distance) P-C4' energy: -97.714 flat angles C4'-P-C4' energy: -102.533 flat angles P-C4'-P energy: -64.283 tors. eta vs tors. theta energy: -126.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1308.460233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.460233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.460233 (E_RNA) where: Base-Base interactions energy: -853.637 where: short stacking energy: -374.473 Base-Backbone interact. energy: -0.969 local terms energy: -453.854175 where: bonds (distance) C4'-P energy: -81.035 bonds (distance) P-C4' energy: -87.532 flat angles C4'-P-C4' energy: -105.029 flat angles P-C4'-P energy: -62.308 tors. eta vs tors. theta energy: -117.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1198.234691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.234691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.234691 (E_RNA) where: Base-Base interactions energy: -782.996 where: short stacking energy: -379.281 Base-Backbone interact. energy: 0.939 local terms energy: -416.178090 where: bonds (distance) C4'-P energy: -86.183 bonds (distance) P-C4' energy: -93.406 flat angles C4'-P-C4' energy: -86.562 flat angles P-C4'-P energy: -55.621 tors. eta vs tors. theta energy: -94.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -1100.767680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.767680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.767680 (E_RNA) where: Base-Base interactions energy: -710.659 where: short stacking energy: -336.249 Base-Backbone interact. energy: 0.750 local terms energy: -390.859610 where: bonds (distance) C4'-P energy: -73.174 bonds (distance) P-C4' energy: -90.431 flat angles C4'-P-C4' energy: -88.854 flat angles P-C4'-P energy: -62.195 tors. eta vs tors. theta energy: -76.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1053.731287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.731287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.731287 (E_RNA) where: Base-Base interactions energy: -677.354 where: short stacking energy: -318.341 Base-Backbone interact. energy: -4.017 local terms energy: -372.360343 where: bonds (distance) C4'-P energy: -65.495 bonds (distance) P-C4' energy: -81.687 flat angles C4'-P-C4' energy: -86.013 flat angles P-C4'-P energy: -56.512 tors. eta vs tors. theta energy: -82.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -771.573332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.573332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.573332 (E_RNA) where: Base-Base interactions energy: -437.722 where: short stacking energy: -220.575 Base-Backbone interact. energy: -0.587 local terms energy: -333.264286 where: bonds (distance) C4'-P energy: -88.846 bonds (distance) P-C4' energy: -77.420 flat angles C4'-P-C4' energy: -84.857 flat angles P-C4'-P energy: -61.140 tors. eta vs tors. theta energy: -21.002 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: 1 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -736.926521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.926521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.926521 (E_RNA) where: Base-Base interactions energy: -426.609 where: short stacking energy: -220.522 Base-Backbone interact. energy: -2.343 local terms energy: -307.974613 where: bonds (distance) C4'-P energy: -68.217 bonds (distance) P-C4' energy: -80.460 flat angles C4'-P-C4' energy: -69.977 flat angles P-C4'-P energy: -60.111 tors. eta vs tors. theta energy: -29.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -627.330545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.330545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.330545 (E_RNA) where: Base-Base interactions energy: -353.952 where: short stacking energy: -184.411 Base-Backbone interact. energy: -2.674 local terms energy: -270.704143 where: bonds (distance) C4'-P energy: -77.908 bonds (distance) P-C4' energy: -67.166 flat angles C4'-P-C4' energy: -76.657 flat angles P-C4'-P energy: -42.374 tors. eta vs tors. theta energy: -6.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -450.527193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.527193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.527193 (E_RNA) where: Base-Base interactions energy: -215.716 where: short stacking energy: -135.408 Base-Backbone interact. energy: 2.095 local terms energy: -236.906178 where: bonds (distance) C4'-P energy: -58.096 bonds (distance) P-C4' energy: -81.191 flat angles C4'-P-C4' energy: -66.681 flat angles P-C4'-P energy: -38.953 tors. eta vs tors. theta energy: 8.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1511.479370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.479370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.479370 (E_RNA) where: Base-Base interactions energy: -1028.904 where: short stacking energy: -450.016 Base-Backbone interact. energy: -4.963 local terms energy: -477.612997 where: bonds (distance) C4'-P energy: -78.163 bonds (distance) P-C4' energy: -93.244 flat angles C4'-P-C4' energy: -104.548 flat angles P-C4'-P energy: -70.425 tors. eta vs tors. theta energy: -131.233 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: 2, replica: 5 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1401.188365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.188365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.188365 (E_RNA) where: Base-Base interactions energy: -921.484 where: short stacking energy: -440.504 Base-Backbone interact. energy: 7.322 local terms energy: -487.026680 where: bonds (distance) C4'-P energy: -79.482 bonds (distance) P-C4' energy: -100.455 flat angles C4'-P-C4' energy: -106.676 flat angles P-C4'-P energy: -74.547 tors. eta vs tors. theta energy: -125.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1294.743532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.743532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.743532 (E_RNA) where: Base-Base interactions energy: -822.906 where: short stacking energy: -377.188 Base-Backbone interact. energy: -1.736 local terms energy: -470.101628 where: bonds (distance) C4'-P energy: -90.160 bonds (distance) P-C4' energy: -94.776 flat angles C4'-P-C4' energy: -94.832 flat angles P-C4'-P energy: -77.247 tors. eta vs tors. theta energy: -113.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1204.751819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.751819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.751819 (E_RNA) where: Base-Base interactions energy: -762.647 where: short stacking energy: -358.756 Base-Backbone interact. energy: 0.492 local terms energy: -442.596180 where: bonds (distance) C4'-P energy: -97.195 bonds (distance) P-C4' energy: -93.435 flat angles C4'-P-C4' energy: -96.890 flat angles P-C4'-P energy: -65.627 tors. eta vs tors. theta energy: -89.450 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: 7 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1089.298429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.298429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.298429 (E_RNA) where: Base-Base interactions energy: -688.416 where: short stacking energy: -319.606 Base-Backbone interact. energy: 0.741 local terms energy: -401.624037 where: bonds (distance) C4'-P energy: -84.288 bonds (distance) P-C4' energy: -76.841 flat angles C4'-P-C4' energy: -97.015 flat angles P-C4'-P energy: -67.159 tors. eta vs tors. theta energy: -76.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1074.930275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.930275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.930275 (E_RNA) where: Base-Base interactions energy: -679.318 where: short stacking energy: -316.023 Base-Backbone interact. energy: 0.334 local terms energy: -395.946165 where: bonds (distance) C4'-P energy: -86.961 bonds (distance) P-C4' energy: -81.777 flat angles C4'-P-C4' energy: -96.128 flat angles P-C4'-P energy: -47.617 tors. eta vs tors. theta energy: -83.463 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: 1 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -793.580371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.580371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.580371 (E_RNA) where: Base-Base interactions energy: -436.734 where: short stacking energy: -230.464 Base-Backbone interact. energy: -1.751 local terms energy: -355.095556 where: bonds (distance) C4'-P energy: -83.875 bonds (distance) P-C4' energy: -85.506 flat angles C4'-P-C4' energy: -91.583 flat angles P-C4'-P energy: -52.345 tors. eta vs tors. theta energy: -41.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -696.309808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.309808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.309808 (E_RNA) where: Base-Base interactions energy: -398.770 where: short stacking energy: -202.346 Base-Backbone interact. energy: -1.622 local terms energy: -295.917440 where: bonds (distance) C4'-P energy: -74.281 bonds (distance) P-C4' energy: -83.779 flat angles C4'-P-C4' energy: -65.296 flat angles P-C4'-P energy: -47.823 tors. eta vs tors. theta energy: -24.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -542.293382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.293382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.293382 (E_RNA) where: Base-Base interactions energy: -260.521 where: short stacking energy: -149.513 Base-Backbone interact. energy: -1.466 local terms energy: -280.306523 where: bonds (distance) C4'-P energy: -83.706 bonds (distance) P-C4' energy: -72.861 flat angles C4'-P-C4' energy: -76.527 flat angles P-C4'-P energy: -42.107 tors. eta vs tors. theta energy: -5.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -514.695694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.695694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.695694 (E_RNA) where: Base-Base interactions energy: -240.803 where: short stacking energy: -138.660 Base-Backbone interact. energy: -2.397 local terms energy: -271.496168 where: bonds (distance) C4'-P energy: -75.680 bonds (distance) P-C4' energy: -87.928 flat angles C4'-P-C4' energy: -79.803 flat angles P-C4'-P energy: -28.666 tors. eta vs tors. theta energy: 0.582 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: 1, replica: 9 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1537.576398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.576398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.576398 (E_RNA) where: Base-Base interactions energy: -1030.806 where: short stacking energy: -475.505 Base-Backbone interact. energy: -1.589 local terms energy: -505.181098 where: bonds (distance) C4'-P energy: -98.941 bonds (distance) P-C4' energy: -95.914 flat angles C4'-P-C4' energy: -108.016 flat angles P-C4'-P energy: -70.559 tors. eta vs tors. theta energy: -131.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1408.238902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.238902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.238902 (E_RNA) where: Base-Base interactions energy: -916.670 where: short stacking energy: -424.627 Base-Backbone interact. energy: -2.988 local terms energy: -488.580736 where: bonds (distance) C4'-P energy: -104.050 bonds (distance) P-C4' energy: -79.413 flat angles C4'-P-C4' energy: -98.669 flat angles P-C4'-P energy: -76.417 tors. eta vs tors. theta energy: -130.031 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: 2 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1299.654762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.654762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.654762 (E_RNA) where: Base-Base interactions energy: -846.048 where: short stacking energy: -369.886 Base-Backbone interact. energy: 0.389 local terms energy: -453.995757 where: bonds (distance) C4'-P energy: -92.764 bonds (distance) P-C4' energy: -100.443 flat angles C4'-P-C4' energy: -92.088 flat angles P-C4'-P energy: -61.564 tors. eta vs tors. theta energy: -107.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1178.015935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.015935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.015935 (E_RNA) where: Base-Base interactions energy: -758.816 where: short stacking energy: -359.938 Base-Backbone interact. energy: -0.683 local terms energy: -418.516906 where: bonds (distance) C4'-P energy: -97.444 bonds (distance) P-C4' energy: -92.648 flat angles C4'-P-C4' energy: -95.897 flat angles P-C4'-P energy: -53.782 tors. eta vs tors. theta energy: -78.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1098.513242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.513242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.513242 (E_RNA) where: Base-Base interactions energy: -720.142 where: short stacking energy: -332.418 Base-Backbone interact. energy: -2.046 local terms energy: -376.325748 where: bonds (distance) C4'-P energy: -81.283 bonds (distance) P-C4' energy: -84.720 flat angles C4'-P-C4' energy: -87.561 flat angles P-C4'-P energy: -45.691 tors. eta vs tors. theta energy: -77.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1050.814651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.814651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.814651 (E_RNA) where: Base-Base interactions energy: -644.001 where: short stacking energy: -298.756 Base-Backbone interact. energy: 2.382 local terms energy: -409.195702 where: bonds (distance) C4'-P energy: -84.541 bonds (distance) P-C4' energy: -94.570 flat angles C4'-P-C4' energy: -88.965 flat angles P-C4'-P energy: -65.463 tors. eta vs tors. theta energy: -75.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -798.820282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.820282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.820282 (E_RNA) where: Base-Base interactions energy: -438.964 where: short stacking energy: -222.637 Base-Backbone interact. energy: -1.667 local terms energy: -358.188805 where: bonds (distance) C4'-P energy: -92.581 bonds (distance) P-C4' energy: -99.113 flat angles C4'-P-C4' energy: -76.127 flat angles P-C4'-P energy: -52.339 tors. eta vs tors. theta energy: -38.029 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: 335 Temperature: 1.250000 Total energy: -660.366490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.366490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.366490 (E_RNA) where: Base-Base interactions energy: -363.350 where: short stacking energy: -188.143 Base-Backbone interact. energy: 1.119 local terms energy: -298.135730 where: bonds (distance) C4'-P energy: -73.183 bonds (distance) P-C4' energy: -87.388 flat angles C4'-P-C4' energy: -78.873 flat angles P-C4'-P energy: -38.128 tors. eta vs tors. theta energy: -20.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -525.026596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.026596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.026596 (E_RNA) where: Base-Base interactions energy: -242.176 where: short stacking energy: -163.210 Base-Backbone interact. energy: -1.201 local terms energy: -281.649100 where: bonds (distance) C4'-P energy: -68.838 bonds (distance) P-C4' energy: -82.059 flat angles C4'-P-C4' energy: -68.916 flat angles P-C4'-P energy: -55.249 tors. eta vs tors. theta energy: -6.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -494.585975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.585975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.585975 (E_RNA) where: Base-Base interactions energy: -239.230 where: short stacking energy: -134.891 Base-Backbone interact. energy: -2.647 local terms energy: -252.709573 where: bonds (distance) C4'-P energy: -68.599 bonds (distance) P-C4' energy: -95.974 flat angles C4'-P-C4' energy: -63.232 flat angles P-C4'-P energy: -40.854 tors. eta vs tors. theta energy: 15.950 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: 9 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1525.619725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.619725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.619725 (E_RNA) where: Base-Base interactions energy: -1011.054 where: short stacking energy: -448.760 Base-Backbone interact. energy: 1.008 local terms energy: -515.573412 where: bonds (distance) C4'-P energy: -108.278 bonds (distance) P-C4' energy: -101.886 flat angles C4'-P-C4' energy: -98.903 flat angles P-C4'-P energy: -81.365 tors. eta vs tors. theta energy: -125.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1390.231739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.231739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.231739 (E_RNA) where: Base-Base interactions energy: -915.959 where: short stacking energy: -426.614 Base-Backbone interact. energy: -2.910 local terms energy: -471.362185 where: bonds (distance) C4'-P energy: -95.024 bonds (distance) P-C4' energy: -88.443 flat angles C4'-P-C4' energy: -99.642 flat angles P-C4'-P energy: -66.347 tors. eta vs tors. theta energy: -121.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1284.007900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.007900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.007900 (E_RNA) where: Base-Base interactions energy: -842.264 where: short stacking energy: -369.667 Base-Backbone interact. energy: 0.609 local terms energy: -442.353020 where: bonds (distance) C4'-P energy: -96.430 bonds (distance) P-C4' energy: -85.360 flat angles C4'-P-C4' energy: -93.282 flat angles P-C4'-P energy: -56.826 tors. eta vs tors. theta energy: -110.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1228.026616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.026616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.026616 (E_RNA) where: Base-Base interactions energy: -806.696 where: short stacking energy: -396.289 Base-Backbone interact. energy: -1.206 local terms energy: -420.124031 where: bonds (distance) C4'-P energy: -74.317 bonds (distance) P-C4' energy: -92.647 flat angles C4'-P-C4' energy: -97.811 flat angles P-C4'-P energy: -58.222 tors. eta vs tors. theta energy: -97.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -1094.202470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.202470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.202470 (E_RNA) where: Base-Base interactions energy: -700.939 where: short stacking energy: -331.596 Base-Backbone interact. energy: 1.282 local terms energy: -394.546265 where: bonds (distance) C4'-P energy: -72.087 bonds (distance) P-C4' energy: -87.366 flat angles C4'-P-C4' energy: -97.511 flat angles P-C4'-P energy: -55.536 tors. eta vs tors. theta energy: -82.045 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: 6 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1077.203775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.203775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.203775 (E_RNA) where: Base-Base interactions energy: -674.165 where: short stacking energy: -337.188 Base-Backbone interact. energy: 0.005 local terms energy: -403.044515 where: bonds (distance) C4'-P energy: -86.398 bonds (distance) P-C4' energy: -96.710 flat angles C4'-P-C4' energy: -91.683 flat angles P-C4'-P energy: -51.665 tors. eta vs tors. theta energy: -76.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -826.441107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.441107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.441107 (E_RNA) where: Base-Base interactions energy: -481.850 where: short stacking energy: -222.172 Base-Backbone interact. energy: -0.878 local terms energy: -343.712914 where: bonds (distance) C4'-P energy: -75.658 bonds (distance) P-C4' energy: -85.510 flat angles C4'-P-C4' energy: -85.448 flat angles P-C4'-P energy: -57.048 tors. eta vs tors. theta energy: -40.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -675.235718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.235718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.235718 (E_RNA) where: Base-Base interactions energy: -377.027 where: short stacking energy: -212.601 Base-Backbone interact. energy: 2.702 local terms energy: -300.910682 where: bonds (distance) C4'-P energy: -69.065 bonds (distance) P-C4' energy: -84.007 flat angles C4'-P-C4' energy: -74.102 flat angles P-C4'-P energy: -43.740 tors. eta vs tors. theta energy: -29.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -547.753281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.753281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.753281 (E_RNA) where: Base-Base interactions energy: -274.744 where: short stacking energy: -151.624 Base-Backbone interact. energy: 3.206 local terms energy: -276.215440 where: bonds (distance) C4'-P energy: -80.318 bonds (distance) P-C4' energy: -98.936 flat angles C4'-P-C4' energy: -67.275 flat angles P-C4'-P energy: -34.993 tors. eta vs tors. theta energy: 5.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -487.330769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.330769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.330769 (E_RNA) where: Base-Base interactions energy: -220.389 where: short stacking energy: -105.416 Base-Backbone interact. energy: 6.191 local terms energy: -273.132677 where: bonds (distance) C4'-P energy: -81.404 bonds (distance) P-C4' energy: -77.346 flat angles C4'-P-C4' energy: -69.871 flat angles P-C4'-P energy: -55.412 tors. eta vs tors. theta energy: 10.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1504.321648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.321648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.321648 (E_RNA) where: Base-Base interactions energy: -1019.070 where: short stacking energy: -470.085 Base-Backbone interact. energy: -4.928 local terms energy: -480.324344 where: bonds (distance) C4'-P energy: -102.977 bonds (distance) P-C4' energy: -81.225 flat angles C4'-P-C4' energy: -102.653 flat angles P-C4'-P energy: -67.201 tors. eta vs tors. theta energy: -126.268 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: 5 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1385.340288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.340288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.340288 (E_RNA) where: Base-Base interactions energy: -909.515 where: short stacking energy: -389.334 Base-Backbone interact. energy: 0.323 local terms energy: -476.148531 where: bonds (distance) C4'-P energy: -83.489 bonds (distance) P-C4' energy: -102.109 flat angles C4'-P-C4' energy: -109.844 flat angles P-C4'-P energy: -68.553 tors. eta vs tors. theta energy: -112.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1350.575150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.575150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.575150 (E_RNA) where: Base-Base interactions energy: -875.889 where: short stacking energy: -409.342 Base-Backbone interact. energy: 1.601 local terms energy: -476.287607 where: bonds (distance) C4'-P energy: -100.009 bonds (distance) P-C4' energy: -88.647 flat angles C4'-P-C4' energy: -100.910 flat angles P-C4'-P energy: -60.564 tors. eta vs tors. theta energy: -126.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1240.590552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.590552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.590552 (E_RNA) where: Base-Base interactions energy: -794.082 where: short stacking energy: -401.645 Base-Backbone interact. energy: -0.619 local terms energy: -445.889685 where: bonds (distance) C4'-P energy: -79.141 bonds (distance) P-C4' energy: -97.942 flat angles C4'-P-C4' energy: -100.959 flat angles P-C4'-P energy: -62.564 tors. eta vs tors. theta energy: -105.283 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: 5, replica: 7 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -1091.900144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.900144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.900144 (E_RNA) where: Base-Base interactions energy: -678.125 where: short stacking energy: -316.470 Base-Backbone interact. energy: -3.099 local terms energy: -410.675739 where: bonds (distance) C4'-P energy: -86.112 bonds (distance) P-C4' energy: -95.429 flat angles C4'-P-C4' energy: -85.390 flat angles P-C4'-P energy: -71.791 tors. eta vs tors. theta energy: -71.954 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: 6 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1051.024329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.024329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.024329 (E_RNA) where: Base-Base interactions energy: -671.939 where: short stacking energy: -332.728 Base-Backbone interact. energy: -0.158 local terms energy: -378.926770 where: bonds (distance) C4'-P energy: -62.454 bonds (distance) P-C4' energy: -93.952 flat angles C4'-P-C4' energy: -93.048 flat angles P-C4'-P energy: -48.068 tors. eta vs tors. theta energy: -81.405 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: 1 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -857.120164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.120164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.120164 (E_RNA) where: Base-Base interactions energy: -516.164 where: short stacking energy: -257.136 Base-Backbone interact. energy: 0.334 local terms energy: -341.290067 where: bonds (distance) C4'-P energy: -82.368 bonds (distance) P-C4' energy: -81.609 flat angles C4'-P-C4' energy: -70.239 flat angles P-C4'-P energy: -60.247 tors. eta vs tors. theta energy: -46.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -652.955107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.955107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.955107 (E_RNA) where: Base-Base interactions energy: -343.955 where: short stacking energy: -182.958 Base-Backbone interact. energy: -1.992 local terms energy: -307.008399 where: bonds (distance) C4'-P energy: -82.029 bonds (distance) P-C4' energy: -74.362 flat angles C4'-P-C4' energy: -83.209 flat angles P-C4'-P energy: -47.386 tors. eta vs tors. theta energy: -20.023 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: 8 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -529.520761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.520761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.520761 (E_RNA) where: Base-Base interactions energy: -256.601 where: short stacking energy: -173.677 Base-Backbone interact. energy: 1.652 local terms energy: -274.571991 where: bonds (distance) C4'-P energy: -76.512 bonds (distance) P-C4' energy: -87.805 flat angles C4'-P-C4' energy: -63.386 flat angles P-C4'-P energy: -29.669 tors. eta vs tors. theta energy: -17.200 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: 4 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -510.134838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.134838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.134838 (E_RNA) where: Base-Base interactions energy: -257.006 where: short stacking energy: -146.467 Base-Backbone interact. energy: 3.807 local terms energy: -256.935668 where: bonds (distance) C4'-P energy: -72.152 bonds (distance) P-C4' energy: -94.192 flat angles C4'-P-C4' energy: -65.365 flat angles P-C4'-P energy: -37.155 tors. eta vs tors. theta energy: 11.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1540.933697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.933697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.933697 (E_RNA) where: Base-Base interactions energy: -1027.311 where: short stacking energy: -474.883 Base-Backbone interact. energy: -2.263 local terms energy: -511.359483 where: bonds (distance) C4'-P energy: -97.475 bonds (distance) P-C4' energy: -94.273 flat angles C4'-P-C4' energy: -116.322 flat angles P-C4'-P energy: -71.423 tors. eta vs tors. theta energy: -131.867 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: 2, replica: 5 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1413.278317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.278317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.278317 (E_RNA) where: Base-Base interactions energy: -933.346 where: short stacking energy: -417.318 Base-Backbone interact. energy: -1.469 local terms energy: -478.463555 where: bonds (distance) C4'-P energy: -95.727 bonds (distance) P-C4' energy: -83.787 flat angles C4'-P-C4' energy: -102.747 flat angles P-C4'-P energy: -72.657 tors. eta vs tors. theta energy: -123.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1315.544350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.544350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.544350 (E_RNA) where: Base-Base interactions energy: -845.171 where: short stacking energy: -393.104 Base-Backbone interact. energy: -2.458 local terms energy: -467.915733 where: bonds (distance) C4'-P energy: -95.235 bonds (distance) P-C4' energy: -95.083 flat angles C4'-P-C4' energy: -82.764 flat angles P-C4'-P energy: -68.122 tors. eta vs tors. theta energy: -126.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1215.619135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.619135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.619135 (E_RNA) where: Base-Base interactions energy: -804.113 where: short stacking energy: -401.361 Base-Backbone interact. energy: 0.280 local terms energy: -411.786081 where: bonds (distance) C4'-P energy: -73.637 bonds (distance) P-C4' energy: -87.165 flat angles C4'-P-C4' energy: -84.515 flat angles P-C4'-P energy: -58.462 tors. eta vs tors. theta energy: -108.008 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: 5, replica: 7 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -1074.721576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.721576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.721576 (E_RNA) where: Base-Base interactions energy: -684.130 where: short stacking energy: -334.744 Base-Backbone interact. energy: -2.479 local terms energy: -388.112199 where: bonds (distance) C4'-P energy: -93.077 bonds (distance) P-C4' energy: -95.939 flat angles C4'-P-C4' energy: -80.527 flat angles P-C4'-P energy: -50.002 tors. eta vs tors. theta energy: -68.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -1020.367408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.367408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.367408 (E_RNA) where: Base-Base interactions energy: -665.129 where: short stacking energy: -304.827 Base-Backbone interact. energy: 1.387 local terms energy: -356.624941 where: bonds (distance) C4'-P energy: -63.276 bonds (distance) P-C4' energy: -83.334 flat angles C4'-P-C4' energy: -82.328 flat angles P-C4'-P energy: -52.849 tors. eta vs tors. theta energy: -74.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -724.024636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.024636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.024636 (E_RNA) where: Base-Base interactions energy: -382.354 where: short stacking energy: -184.614 Base-Backbone interact. energy: 2.231 local terms energy: -343.902311 where: bonds (distance) C4'-P energy: -86.575 bonds (distance) P-C4' energy: -102.215 flat angles C4'-P-C4' energy: -85.081 flat angles P-C4'-P energy: -48.494 tors. eta vs tors. theta energy: -21.538 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: 8, replica: 10 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -658.048752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.048752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.048752 (E_RNA) where: Base-Base interactions energy: -335.450 where: short stacking energy: -164.399 Base-Backbone interact. energy: -1.947 local terms energy: -320.651672 where: bonds (distance) C4'-P energy: -91.392 bonds (distance) P-C4' energy: -92.662 flat angles C4'-P-C4' energy: -73.318 flat angles P-C4'-P energy: -43.906 tors. eta vs tors. theta energy: -19.373 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: 4 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -529.574154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.574154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.574154 (E_RNA) where: Base-Base interactions energy: -255.299 where: short stacking energy: -139.974 Base-Backbone interact. energy: -0.177 local terms energy: -274.098069 where: bonds (distance) C4'-P energy: -78.595 bonds (distance) P-C4' energy: -92.411 flat angles C4'-P-C4' energy: -72.910 flat angles P-C4'-P energy: -35.149 tors. eta vs tors. theta energy: 4.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -508.428335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.428335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.428335 (E_RNA) where: Base-Base interactions energy: -221.369 where: short stacking energy: -136.337 Base-Backbone interact. energy: -1.007 local terms energy: -286.052901 where: bonds (distance) C4'-P energy: -80.039 bonds (distance) P-C4' energy: -77.049 flat angles C4'-P-C4' energy: -74.927 flat angles P-C4'-P energy: -43.878 tors. eta vs tors. theta energy: -10.160 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: 9 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1549.647751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.647751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.647751 (E_RNA) where: Base-Base interactions energy: -1044.049 where: short stacking energy: -478.319 Base-Backbone interact. energy: 3.632 local terms energy: -509.230487 where: bonds (distance) C4'-P energy: -86.767 bonds (distance) P-C4' energy: -103.141 flat angles C4'-P-C4' energy: -119.228 flat angles P-C4'-P energy: -63.110 tors. eta vs tors. theta energy: -136.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1435.161602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.161602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.161602 (E_RNA) where: Base-Base interactions energy: -937.930 where: short stacking energy: -433.073 Base-Backbone interact. energy: -2.016 local terms energy: -495.216117 where: bonds (distance) C4'-P energy: -91.340 bonds (distance) P-C4' energy: -104.795 flat angles C4'-P-C4' energy: -112.795 flat angles P-C4'-P energy: -64.713 tors. eta vs tors. theta energy: -121.573 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: 2 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1313.222579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.222579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.222579 (E_RNA) where: Base-Base interactions energy: -862.342 where: short stacking energy: -401.051 Base-Backbone interact. energy: -1.585 local terms energy: -449.296021 where: bonds (distance) C4'-P energy: -94.756 bonds (distance) P-C4' energy: -84.204 flat angles C4'-P-C4' energy: -100.147 flat angles P-C4'-P energy: -62.097 tors. eta vs tors. theta energy: -108.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1105.332332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.332332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.332332 (E_RNA) where: Base-Base interactions energy: -682.637 where: short stacking energy: -308.710 Base-Backbone interact. energy: -3.134 local terms energy: -419.561818 where: bonds (distance) C4'-P energy: -99.502 bonds (distance) P-C4' energy: -99.426 flat angles C4'-P-C4' energy: -97.090 flat angles P-C4'-P energy: -63.711 tors. eta vs tors. theta energy: -59.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1113.370886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.370886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.370886 (E_RNA) where: Base-Base interactions energy: -719.984 where: short stacking energy: -321.807 Base-Backbone interact. energy: -0.762 local terms energy: -392.624661 where: bonds (distance) C4'-P energy: -82.361 bonds (distance) P-C4' energy: -79.454 flat angles C4'-P-C4' energy: -96.123 flat angles P-C4'-P energy: -50.543 tors. eta vs tors. theta energy: -84.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -1050.726576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.726576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.726576 (E_RNA) where: Base-Base interactions energy: -655.234 where: short stacking energy: -315.347 Base-Backbone interact. energy: -1.470 local terms energy: -394.022211 where: bonds (distance) C4'-P energy: -81.263 bonds (distance) P-C4' energy: -93.787 flat angles C4'-P-C4' energy: -78.486 flat angles P-C4'-P energy: -60.596 tors. eta vs tors. theta energy: -79.890 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: 1 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -782.280981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.280981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.280981 (E_RNA) where: Base-Base interactions energy: -453.483 where: short stacking energy: -234.806 Base-Backbone interact. energy: -0.285 local terms energy: -328.512331 where: bonds (distance) C4'-P energy: -68.550 bonds (distance) P-C4' energy: -83.747 flat angles C4'-P-C4' energy: -86.440 flat angles P-C4'-P energy: -50.339 tors. eta vs tors. theta energy: -39.436 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: 8, replica: 10 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -623.717682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.717682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.717682 (E_RNA) where: Base-Base interactions energy: -317.956 where: short stacking energy: -197.314 Base-Backbone interact. energy: 1.185 local terms energy: -306.946641 where: bonds (distance) C4'-P energy: -78.216 bonds (distance) P-C4' energy: -83.773 flat angles C4'-P-C4' energy: -87.135 flat angles P-C4'-P energy: -32.182 tors. eta vs tors. theta energy: -25.641 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: 9, replica: 4 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -530.191124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.191124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.191124 (E_RNA) where: Base-Base interactions energy: -253.784 where: short stacking energy: -149.348 Base-Backbone interact. energy: 1.120 local terms energy: -277.526721 where: bonds (distance) C4'-P energy: -89.987 bonds (distance) P-C4' energy: -74.241 flat angles C4'-P-C4' energy: -70.135 flat angles P-C4'-P energy: -32.027 tors. eta vs tors. theta energy: -11.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -493.155431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.155431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.155431 (E_RNA) where: Base-Base interactions energy: -216.275 where: short stacking energy: -127.913 Base-Backbone interact. energy: -1.755 local terms energy: -275.125423 where: bonds (distance) C4'-P energy: -84.563 bonds (distance) P-C4' energy: -72.937 flat angles C4'-P-C4' energy: -78.878 flat angles P-C4'-P energy: -40.722 tors. eta vs tors. theta energy: 1.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1547.790144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.790144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.790144 (E_RNA) where: Base-Base interactions energy: -1051.146 where: short stacking energy: -480.552 Base-Backbone interact. energy: -0.140 local terms energy: -496.504320 where: bonds (distance) C4'-P energy: -75.587 bonds (distance) P-C4' energy: -100.628 flat angles C4'-P-C4' energy: -105.343 flat angles P-C4'-P energy: -76.275 tors. eta vs tors. theta energy: -138.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1445.247216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.247216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.247216 (E_RNA) where: Base-Base interactions energy: -966.387 where: short stacking energy: -445.448 Base-Backbone interact. energy: -3.365 local terms energy: -475.494523 where: bonds (distance) C4'-P energy: -92.390 bonds (distance) P-C4' energy: -90.132 flat angles C4'-P-C4' energy: -107.444 flat angles P-C4'-P energy: -58.418 tors. eta vs tors. theta energy: -127.111 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: 340 Temperature: 1.000000 Total energy: -1336.100767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.100767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.100767 (E_RNA) where: Base-Base interactions energy: -880.856 where: short stacking energy: -390.929 Base-Backbone interact. energy: 1.295 local terms energy: -456.539747 where: bonds (distance) C4'-P energy: -94.533 bonds (distance) P-C4' energy: -91.475 flat angles C4'-P-C4' energy: -96.551 flat angles P-C4'-P energy: -63.000 tors. eta vs tors. theta energy: -110.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1145.098806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.098806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.098806 (E_RNA) where: Base-Base interactions energy: -727.274 where: short stacking energy: -314.921 Base-Backbone interact. energy: 1.527 local terms energy: -419.351628 where: bonds (distance) C4'-P energy: -101.534 bonds (distance) P-C4' energy: -92.247 flat angles C4'-P-C4' energy: -95.569 flat angles P-C4'-P energy: -60.920 tors. eta vs tors. theta energy: -69.081 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: 5, replica: 3 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -1152.448331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.448331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.448331 (E_RNA) where: Base-Base interactions energy: -744.135 where: short stacking energy: -354.333 Base-Backbone interact. energy: -2.906 local terms energy: -405.407053 where: bonds (distance) C4'-P energy: -80.201 bonds (distance) P-C4' energy: -88.303 flat angles C4'-P-C4' energy: -89.116 flat angles P-C4'-P energy: -68.679 tors. eta vs tors. theta energy: -79.108 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: 6, replica: 6 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -987.965317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.965317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.965317 (E_RNA) where: Base-Base interactions energy: -613.559 where: short stacking energy: -274.270 Base-Backbone interact. energy: -1.487 local terms energy: -372.918881 where: bonds (distance) C4'-P energy: -74.106 bonds (distance) P-C4' energy: -85.815 flat angles C4'-P-C4' energy: -89.322 flat angles P-C4'-P energy: -55.778 tors. eta vs tors. theta energy: -67.897 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: 1 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -775.946177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.946177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.946177 (E_RNA) where: Base-Base interactions energy: -431.832 where: short stacking energy: -209.056 Base-Backbone interact. energy: 6.881 local terms energy: -350.995073 where: bonds (distance) C4'-P energy: -79.736 bonds (distance) P-C4' energy: -92.818 flat angles C4'-P-C4' energy: -86.984 flat angles P-C4'-P energy: -60.685 tors. eta vs tors. theta energy: -30.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -652.820143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.820143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.820143 (E_RNA) where: Base-Base interactions energy: -340.836 where: short stacking energy: -174.245 Base-Backbone interact. energy: 1.028 local terms energy: -313.012841 where: bonds (distance) C4'-P energy: -86.654 bonds (distance) P-C4' energy: -81.122 flat angles C4'-P-C4' energy: -67.316 flat angles P-C4'-P energy: -49.722 tors. eta vs tors. theta energy: -28.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -519.541294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.541294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.541294 (E_RNA) where: Base-Base interactions energy: -224.988 where: short stacking energy: -138.525 Base-Backbone interact. energy: -2.655 local terms energy: -291.897929 where: bonds (distance) C4'-P energy: -77.380 bonds (distance) P-C4' energy: -75.268 flat angles C4'-P-C4' energy: -84.843 flat angles P-C4'-P energy: -54.842 tors. eta vs tors. theta energy: 0.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -507.828621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.828621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.828621 (E_RNA) where: Base-Base interactions energy: -242.424 where: short stacking energy: -138.684 Base-Backbone interact. energy: 0.031 local terms energy: -265.435247 where: bonds (distance) C4'-P energy: -70.422 bonds (distance) P-C4' energy: -85.452 flat angles C4'-P-C4' energy: -87.313 flat angles P-C4'-P energy: -35.975 tors. eta vs tors. theta energy: 13.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1526.556784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.556784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.556784 (E_RNA) where: Base-Base interactions energy: -988.325 where: short stacking energy: -474.482 Base-Backbone interact. energy: -1.909 local terms energy: -536.322984 where: bonds (distance) C4'-P energy: -106.260 bonds (distance) P-C4' energy: -100.114 flat angles C4'-P-C4' energy: -113.223 flat angles P-C4'-P energy: -72.856 tors. eta vs tors. theta energy: -143.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1422.161126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.161126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.161126 (E_RNA) where: Base-Base interactions energy: -930.749 where: short stacking energy: -449.701 Base-Backbone interact. energy: 1.119 local terms energy: -492.530671 where: bonds (distance) C4'-P energy: -97.205 bonds (distance) P-C4' energy: -94.286 flat angles C4'-P-C4' energy: -105.689 flat angles P-C4'-P energy: -70.011 tors. eta vs tors. theta energy: -125.339 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: 2 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1329.788386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.788386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.788386 (E_RNA) where: Base-Base interactions energy: -855.618 where: short stacking energy: -395.446 Base-Backbone interact. energy: 0.657 local terms energy: -474.827346 where: bonds (distance) C4'-P energy: -98.009 bonds (distance) P-C4' energy: -95.456 flat angles C4'-P-C4' energy: -94.242 flat angles P-C4'-P energy: -63.966 tors. eta vs tors. theta energy: -123.153 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: 4, replica: 3 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1208.255156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.255156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.255156 (E_RNA) where: Base-Base interactions energy: -765.677 where: short stacking energy: -371.835 Base-Backbone interact. energy: -0.501 local terms energy: -442.077523 where: bonds (distance) C4'-P energy: -81.235 bonds (distance) P-C4' energy: -89.751 flat angles C4'-P-C4' energy: -98.817 flat angles P-C4'-P energy: -68.598 tors. eta vs tors. theta energy: -103.677 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: 7 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1109.149506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.149506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.149506 (E_RNA) where: Base-Base interactions energy: -711.849 where: short stacking energy: -314.514 Base-Backbone interact. energy: -4.583 local terms energy: -392.717114 where: bonds (distance) C4'-P energy: -92.580 bonds (distance) P-C4' energy: -89.518 flat angles C4'-P-C4' energy: -93.674 flat angles P-C4'-P energy: -39.228 tors. eta vs tors. theta energy: -77.717 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: 6, replica: 6 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1038.392617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.392617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.392617 (E_RNA) where: Base-Base interactions energy: -640.190 where: short stacking energy: -306.728 Base-Backbone interact. energy: 1.949 local terms energy: -400.151633 where: bonds (distance) C4'-P energy: -89.004 bonds (distance) P-C4' energy: -90.171 flat angles C4'-P-C4' energy: -95.922 flat angles P-C4'-P energy: -44.875 tors. eta vs tors. theta energy: -80.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -808.231453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.231453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.231453 (E_RNA) where: Base-Base interactions energy: -466.909 where: short stacking energy: -247.328 Base-Backbone interact. energy: -1.650 local terms energy: -339.672528 where: bonds (distance) C4'-P energy: -82.332 bonds (distance) P-C4' energy: -76.076 flat angles C4'-P-C4' energy: -85.156 flat angles P-C4'-P energy: -49.483 tors. eta vs tors. theta energy: -46.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -606.823137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.823137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.823137 (E_RNA) where: Base-Base interactions energy: -327.197 where: short stacking energy: -177.800 Base-Backbone interact. energy: -0.668 local terms energy: -278.957809 where: bonds (distance) C4'-P energy: -79.924 bonds (distance) P-C4' energy: -70.962 flat angles C4'-P-C4' energy: -65.334 flat angles P-C4'-P energy: -47.493 tors. eta vs tors. theta energy: -15.245 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: 9, replica: 4 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -488.007066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.007066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.007066 (E_RNA) where: Base-Base interactions energy: -205.534 where: short stacking energy: -130.868 Base-Backbone interact. energy: 1.977 local terms energy: -284.450841 where: bonds (distance) C4'-P energy: -81.468 bonds (distance) P-C4' energy: -88.628 flat angles C4'-P-C4' energy: -76.320 flat angles P-C4'-P energy: -40.878 tors. eta vs tors. theta energy: 2.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -515.537695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.537695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.537695 (E_RNA) where: Base-Base interactions energy: -250.724 where: short stacking energy: -134.320 Base-Backbone interact. energy: -3.815 local terms energy: -260.998994 where: bonds (distance) C4'-P energy: -80.853 bonds (distance) P-C4' energy: -64.853 flat angles C4'-P-C4' energy: -66.896 flat angles P-C4'-P energy: -49.407 tors. eta vs tors. theta energy: 1.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1520.939854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.939854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.939854 (E_RNA) where: Base-Base interactions energy: -1000.540 where: short stacking energy: -458.622 Base-Backbone interact. energy: -2.428 local terms energy: -517.971697 where: bonds (distance) C4'-P energy: -91.199 bonds (distance) P-C4' energy: -105.485 flat angles C4'-P-C4' energy: -112.250 flat angles P-C4'-P energy: -71.474 tors. eta vs tors. theta energy: -137.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1388.608697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.608697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.608697 (E_RNA) where: Base-Base interactions energy: -912.394 where: short stacking energy: -414.860 Base-Backbone interact. energy: 0.876 local terms energy: -477.090760 where: bonds (distance) C4'-P energy: -93.293 bonds (distance) P-C4' energy: -100.524 flat angles C4'-P-C4' energy: -94.016 flat angles P-C4'-P energy: -69.686 tors. eta vs tors. theta energy: -119.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1312.960373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.960373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.960373 (E_RNA) where: Base-Base interactions energy: -857.814 where: short stacking energy: -392.130 Base-Backbone interact. energy: 0.280 local terms energy: -455.426809 where: bonds (distance) C4'-P energy: -98.140 bonds (distance) P-C4' energy: -83.191 flat angles C4'-P-C4' energy: -98.146 flat angles P-C4'-P energy: -55.766 tors. eta vs tors. theta energy: -120.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1208.362473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.362473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.362473 (E_RNA) where: Base-Base interactions energy: -761.844 where: short stacking energy: -374.578 Base-Backbone interact. energy: -0.788 local terms energy: -445.730590 where: bonds (distance) C4'-P energy: -98.852 bonds (distance) P-C4' energy: -102.493 flat angles C4'-P-C4' energy: -92.500 flat angles P-C4'-P energy: -56.405 tors. eta vs tors. theta energy: -95.481 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: 5, replica: 7 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1115.770326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.770326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.770326 (E_RNA) where: Base-Base interactions energy: -701.327 where: short stacking energy: -323.010 Base-Backbone interact. energy: -0.306 local terms energy: -414.137347 where: bonds (distance) C4'-P energy: -92.055 bonds (distance) P-C4' energy: -86.667 flat angles C4'-P-C4' energy: -99.230 flat angles P-C4'-P energy: -68.427 tors. eta vs tors. theta energy: -67.759 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: 342 Temperature: 1.150000 Total energy: -1021.801391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.801391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.801391 (E_RNA) where: Base-Base interactions energy: -625.171 where: short stacking energy: -312.438 Base-Backbone interact. energy: -3.353 local terms energy: -393.278010 where: bonds (distance) C4'-P energy: -82.049 bonds (distance) P-C4' energy: -79.907 flat angles C4'-P-C4' energy: -98.675 flat angles P-C4'-P energy: -48.624 tors. eta vs tors. theta energy: -84.023 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: 1 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -805.791004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.791004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.791004 (E_RNA) where: Base-Base interactions energy: -468.194 where: short stacking energy: -256.067 Base-Backbone interact. energy: -0.460 local terms energy: -337.137526 where: bonds (distance) C4'-P energy: -67.561 bonds (distance) P-C4' energy: -88.082 flat angles C4'-P-C4' energy: -75.338 flat angles P-C4'-P energy: -47.123 tors. eta vs tors. theta energy: -59.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -620.055299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.055299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.055299 (E_RNA) where: Base-Base interactions energy: -324.878 where: short stacking energy: -170.659 Base-Backbone interact. energy: 0.916 local terms energy: -296.093451 where: bonds (distance) C4'-P energy: -85.920 bonds (distance) P-C4' energy: -84.321 flat angles C4'-P-C4' energy: -77.455 flat angles P-C4'-P energy: -41.355 tors. eta vs tors. theta energy: -7.043 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: 8 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -581.264248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.264248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.264248 (E_RNA) where: Base-Base interactions energy: -309.321 where: short stacking energy: -178.672 Base-Backbone interact. energy: -0.394 local terms energy: -271.548844 where: bonds (distance) C4'-P energy: -71.772 bonds (distance) P-C4' energy: -69.773 flat angles C4'-P-C4' energy: -75.476 flat angles P-C4'-P energy: -45.306 tors. eta vs tors. theta energy: -9.222 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: 10, replica: 4 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -500.789326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.789326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.789326 (E_RNA) where: Base-Base interactions energy: -228.737 where: short stacking energy: -137.766 Base-Backbone interact. energy: -3.067 local terms energy: -268.984638 where: bonds (distance) C4'-P energy: -73.238 bonds (distance) P-C4' energy: -87.178 flat angles C4'-P-C4' energy: -37.629 flat angles P-C4'-P energy: -64.691 tors. eta vs tors. theta energy: -6.249 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: 9 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1514.785345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.785345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.785345 (E_RNA) where: Base-Base interactions energy: -1012.986 where: short stacking energy: -461.556 Base-Backbone interact. energy: -2.848 local terms energy: -498.950790 where: bonds (distance) C4'-P energy: -88.368 bonds (distance) P-C4' energy: -93.483 flat angles C4'-P-C4' energy: -102.033 flat angles P-C4'-P energy: -75.226 tors. eta vs tors. theta energy: -139.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1367.816844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.816844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.816844 (E_RNA) where: Base-Base interactions energy: -892.960 where: short stacking energy: -390.624 Base-Backbone interact. energy: -4.693 local terms energy: -470.163832 where: bonds (distance) C4'-P energy: -93.846 bonds (distance) P-C4' energy: -95.479 flat angles C4'-P-C4' energy: -101.525 flat angles P-C4'-P energy: -63.110 tors. eta vs tors. theta energy: -116.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1299.346004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.346004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.346004 (E_RNA) where: Base-Base interactions energy: -862.092 where: short stacking energy: -384.907 Base-Backbone interact. energy: -1.802 local terms energy: -435.452028 where: bonds (distance) C4'-P energy: -85.765 bonds (distance) P-C4' energy: -94.077 flat angles C4'-P-C4' energy: -104.690 flat angles P-C4'-P energy: -57.377 tors. eta vs tors. theta energy: -93.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -1212.180422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.180422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.180422 (E_RNA) where: Base-Base interactions energy: -773.668 where: short stacking energy: -372.011 Base-Backbone interact. energy: 1.476 local terms energy: -439.987749 where: bonds (distance) C4'-P energy: -86.584 bonds (distance) P-C4' energy: -95.338 flat angles C4'-P-C4' energy: -94.059 flat angles P-C4'-P energy: -65.915 tors. eta vs tors. theta energy: -98.091 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: 7 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -1128.031461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.031461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.031461 (E_RNA) where: Base-Base interactions energy: -721.228 where: short stacking energy: -317.228 Base-Backbone interact. energy: 0.575 local terms energy: -407.378082 where: bonds (distance) C4'-P energy: -90.731 bonds (distance) P-C4' energy: -81.966 flat angles C4'-P-C4' energy: -91.756 flat angles P-C4'-P energy: -65.022 tors. eta vs tors. theta energy: -77.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1033.427739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.427739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.427739 (E_RNA) where: Base-Base interactions energy: -671.703 where: short stacking energy: -318.796 Base-Backbone interact. energy: -1.268 local terms energy: -360.456917 where: bonds (distance) C4'-P energy: -73.143 bonds (distance) P-C4' energy: -77.618 flat angles C4'-P-C4' energy: -81.118 flat angles P-C4'-P energy: -41.567 tors. eta vs tors. theta energy: -87.011 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: 1 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -796.055826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.055826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.055826 (E_RNA) where: Base-Base interactions energy: -470.699 where: short stacking energy: -247.920 Base-Backbone interact. energy: 0.570 local terms energy: -325.927195 where: bonds (distance) C4'-P energy: -81.724 bonds (distance) P-C4' energy: -71.115 flat angles C4'-P-C4' energy: -77.252 flat angles P-C4'-P energy: -54.573 tors. eta vs tors. theta energy: -41.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -688.063870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.063870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.063870 (E_RNA) where: Base-Base interactions energy: -387.929 where: short stacking energy: -202.460 Base-Backbone interact. energy: 1.059 local terms energy: -301.193584 where: bonds (distance) C4'-P energy: -74.344 bonds (distance) P-C4' energy: -82.531 flat angles C4'-P-C4' energy: -76.831 flat angles P-C4'-P energy: -43.529 tors. eta vs tors. theta energy: -23.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -586.296873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.296873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.296873 (E_RNA) where: Base-Base interactions energy: -328.262 where: short stacking energy: -173.694 Base-Backbone interact. energy: -0.115 local terms energy: -257.919293 where: bonds (distance) C4'-P energy: -70.284 bonds (distance) P-C4' energy: -82.694 flat angles C4'-P-C4' energy: -57.982 flat angles P-C4'-P energy: -38.496 tors. eta vs tors. theta energy: -8.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -472.144780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.144780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.144780 (E_RNA) where: Base-Base interactions energy: -217.323 where: short stacking energy: -132.498 Base-Backbone interact. energy: 0.302 local terms energy: -255.123941 where: bonds (distance) C4'-P energy: -82.672 bonds (distance) P-C4' energy: -80.875 flat angles C4'-P-C4' energy: -71.818 flat angles P-C4'-P energy: -32.736 tors. eta vs tors. theta energy: 12.977 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: 9 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1495.899802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.899802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.899802 (E_RNA) where: Base-Base interactions energy: -997.488 where: short stacking energy: -446.820 Base-Backbone interact. energy: -1.583 local terms energy: -496.829021 where: bonds (distance) C4'-P energy: -102.116 bonds (distance) P-C4' energy: -96.150 flat angles C4'-P-C4' energy: -103.889 flat angles P-C4'-P energy: -67.520 tors. eta vs tors. theta energy: -127.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1386.801074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.801074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.801074 (E_RNA) where: Base-Base interactions energy: -920.966 where: short stacking energy: -422.177 Base-Backbone interact. energy: -2.427 local terms energy: -463.408352 where: bonds (distance) C4'-P energy: -81.892 bonds (distance) P-C4' energy: -100.164 flat angles C4'-P-C4' energy: -99.929 flat angles P-C4'-P energy: -54.373 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: 2 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1298.902509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.902509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.902509 (E_RNA) where: Base-Base interactions energy: -834.263 where: short stacking energy: -381.030 Base-Backbone interact. energy: -1.547 local terms energy: -463.092220 where: bonds (distance) C4'-P energy: -94.692 bonds (distance) P-C4' energy: -91.953 flat angles C4'-P-C4' energy: -108.596 flat angles P-C4'-P energy: -67.117 tors. eta vs tors. theta energy: -100.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1192.582104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.582104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.582104 (E_RNA) where: Base-Base interactions energy: -757.299 where: short stacking energy: -365.797 Base-Backbone interact. energy: -2.176 local terms energy: -433.107566 where: bonds (distance) C4'-P energy: -90.559 bonds (distance) P-C4' energy: -93.291 flat angles C4'-P-C4' energy: -97.991 flat angles P-C4'-P energy: -55.932 tors. eta vs tors. theta energy: -95.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1110.094002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.094002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.094002 (E_RNA) where: Base-Base interactions energy: -723.016 where: short stacking energy: -338.458 Base-Backbone interact. energy: -0.379 local terms energy: -386.698492 where: bonds (distance) C4'-P energy: -81.904 bonds (distance) P-C4' energy: -89.314 flat angles C4'-P-C4' energy: -84.207 flat angles P-C4'-P energy: -46.617 tors. eta vs tors. theta energy: -84.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1011.645307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.645307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.645307 (E_RNA) where: Base-Base interactions energy: -611.873 where: short stacking energy: -292.301 Base-Backbone interact. energy: -1.965 local terms energy: -397.807262 where: bonds (distance) C4'-P energy: -93.665 bonds (distance) P-C4' energy: -83.259 flat angles C4'-P-C4' energy: -94.455 flat angles P-C4'-P energy: -54.478 tors. eta vs tors. theta energy: -71.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -802.571529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.571529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.571529 (E_RNA) where: Base-Base interactions energy: -441.648 where: short stacking energy: -231.143 Base-Backbone interact. energy: 0.012 local terms energy: -360.935438 where: bonds (distance) C4'-P energy: -76.705 bonds (distance) P-C4' energy: -100.551 flat angles C4'-P-C4' energy: -71.896 flat angles P-C4'-P energy: -51.195 tors. eta vs tors. theta energy: -60.587 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: 10 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -634.535080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.535080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.535080 (E_RNA) where: Base-Base interactions energy: -369.310 where: short stacking energy: -176.053 Base-Backbone interact. energy: -1.605 local terms energy: -263.620211 where: bonds (distance) C4'-P energy: -50.389 bonds (distance) P-C4' energy: -82.284 flat angles C4'-P-C4' energy: -84.871 flat angles P-C4'-P energy: -30.525 tors. eta vs tors. theta energy: -15.550 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: 8 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -578.087081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.087081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.087081 (E_RNA) where: Base-Base interactions energy: -290.793 where: short stacking energy: -160.056 Base-Backbone interact. energy: 1.152 local terms energy: -288.445833 where: bonds (distance) C4'-P energy: -83.425 bonds (distance) P-C4' energy: -94.306 flat angles C4'-P-C4' energy: -65.933 flat angles P-C4'-P energy: -34.947 tors. eta vs tors. theta energy: -9.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -475.181677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.181677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.181677 (E_RNA) where: Base-Base interactions energy: -207.034 where: short stacking energy: -119.258 Base-Backbone interact. energy: 2.533 local terms energy: -270.681245 where: bonds (distance) C4'-P energy: -90.533 bonds (distance) P-C4' energy: -81.890 flat angles C4'-P-C4' energy: -73.543 flat angles P-C4'-P energy: -38.130 tors. eta vs tors. theta energy: 13.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1512.467575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.467575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.467575 (E_RNA) where: Base-Base interactions energy: -1008.952 where: short stacking energy: -447.626 Base-Backbone interact. energy: -1.366 local terms energy: -502.149175 where: bonds (distance) C4'-P energy: -98.896 bonds (distance) P-C4' energy: -96.468 flat angles C4'-P-C4' energy: -103.985 flat angles P-C4'-P energy: -75.841 tors. eta vs tors. theta energy: -126.959 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: 5 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1387.217878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.217878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.217878 (E_RNA) where: Base-Base interactions energy: -889.067 where: short stacking energy: -423.073 Base-Backbone interact. energy: -2.805 local terms energy: -495.345214 where: bonds (distance) C4'-P energy: -96.560 bonds (distance) P-C4' energy: -100.264 flat angles C4'-P-C4' energy: -111.605 flat angles P-C4'-P energy: -66.705 tors. eta vs tors. theta energy: -120.211 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: 3, replica: 2 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -1304.206276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.206276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.206276 (E_RNA) where: Base-Base interactions energy: -834.294 where: short stacking energy: -389.347 Base-Backbone interact. energy: -1.876 local terms energy: -468.035493 where: bonds (distance) C4'-P energy: -97.967 bonds (distance) P-C4' energy: -96.280 flat angles C4'-P-C4' energy: -100.159 flat angles P-C4'-P energy: -62.413 tors. eta vs tors. theta energy: -111.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1212.436925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.436925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.436925 (E_RNA) where: Base-Base interactions energy: -762.589 where: short stacking energy: -363.469 Base-Backbone interact. energy: -0.503 local terms energy: -449.345007 where: bonds (distance) C4'-P energy: -96.149 bonds (distance) P-C4' energy: -83.448 flat angles C4'-P-C4' energy: -90.452 flat angles P-C4'-P energy: -68.149 tors. eta vs tors. theta energy: -111.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -1124.070322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.070322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.070322 (E_RNA) where: Base-Base interactions energy: -726.383 where: short stacking energy: -345.654 Base-Backbone interact. energy: 3.393 local terms energy: -401.080410 where: bonds (distance) C4'-P energy: -88.240 bonds (distance) P-C4' energy: -68.819 flat angles C4'-P-C4' energy: -90.812 flat angles P-C4'-P energy: -68.570 tors. eta vs tors. theta energy: -84.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -985.056300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.056300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.056300 (E_RNA) where: Base-Base interactions energy: -622.960 where: short stacking energy: -306.118 Base-Backbone interact. energy: -1.104 local terms energy: -360.992272 where: bonds (distance) C4'-P energy: -80.873 bonds (distance) P-C4' energy: -71.967 flat angles C4'-P-C4' energy: -73.968 flat angles P-C4'-P energy: -60.624 tors. eta vs tors. theta energy: -73.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -793.094862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.094862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.094862 (E_RNA) where: Base-Base interactions energy: -425.122 where: short stacking energy: -236.692 Base-Backbone interact. energy: -0.508 local terms energy: -367.464857 where: bonds (distance) C4'-P energy: -84.036 bonds (distance) P-C4' energy: -91.444 flat angles C4'-P-C4' energy: -85.522 flat angles P-C4'-P energy: -62.847 tors. eta vs tors. theta energy: -43.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -655.224251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.224251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.224251 (E_RNA) where: Base-Base interactions energy: -335.351 where: short stacking energy: -179.028 Base-Backbone interact. energy: -0.789 local terms energy: -319.084330 where: bonds (distance) C4'-P energy: -69.359 bonds (distance) P-C4' energy: -91.451 flat angles C4'-P-C4' energy: -80.911 flat angles P-C4'-P energy: -63.901 tors. eta vs tors. theta energy: -13.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -556.045336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.045336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.045336 (E_RNA) where: Base-Base interactions energy: -285.494 where: short stacking energy: -166.206 Base-Backbone interact. energy: 3.204 local terms energy: -273.755882 where: bonds (distance) C4'-P energy: -83.171 bonds (distance) P-C4' energy: -78.103 flat angles C4'-P-C4' energy: -63.735 flat angles P-C4'-P energy: -43.085 tors. eta vs tors. theta energy: -5.662 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: 10, replica: 4 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -478.906680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.906680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.906680 (E_RNA) where: Base-Base interactions energy: -236.944 where: short stacking energy: -140.648 Base-Backbone interact. energy: 3.826 local terms energy: -245.789074 where: bonds (distance) C4'-P energy: -65.250 bonds (distance) P-C4' energy: -71.596 flat angles C4'-P-C4' energy: -70.851 flat angles P-C4'-P energy: -46.322 tors. eta vs tors. theta energy: 8.229 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: 9 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1486.883255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.883255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.883255 (E_RNA) where: Base-Base interactions energy: -998.616 where: short stacking energy: -458.145 Base-Backbone interact. energy: -0.761 local terms energy: -487.506084 where: bonds (distance) C4'-P energy: -85.643 bonds (distance) P-C4' energy: -96.367 flat angles C4'-P-C4' energy: -115.463 flat angles P-C4'-P energy: -65.390 tors. eta vs tors. theta energy: -124.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1393.279113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.279113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.279113 (E_RNA) where: Base-Base interactions energy: -919.923 where: short stacking energy: -414.344 Base-Backbone interact. energy: -1.707 local terms energy: -471.648933 where: bonds (distance) C4'-P energy: -89.858 bonds (distance) P-C4' energy: -96.781 flat angles C4'-P-C4' energy: -100.674 flat angles P-C4'-P energy: -73.970 tors. eta vs tors. theta energy: -110.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1293.225576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.225576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.225576 (E_RNA) where: Base-Base interactions energy: -838.584 where: short stacking energy: -371.841 Base-Backbone interact. energy: 1.946 local terms energy: -456.587334 where: bonds (distance) C4'-P energy: -81.217 bonds (distance) P-C4' energy: -101.062 flat angles C4'-P-C4' energy: -97.741 flat angles P-C4'-P energy: -58.325 tors. eta vs tors. theta energy: -118.243 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: 3 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1220.374146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.374146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.374146 (E_RNA) where: Base-Base interactions energy: -793.121 where: short stacking energy: -354.712 Base-Backbone interact. energy: -2.003 local terms energy: -425.250175 where: bonds (distance) C4'-P energy: -83.451 bonds (distance) P-C4' energy: -87.030 flat angles C4'-P-C4' energy: -91.913 flat angles P-C4'-P energy: -71.929 tors. eta vs tors. theta energy: -90.926 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: 7 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1097.925357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.925357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.925357 (E_RNA) where: Base-Base interactions energy: -699.682 where: short stacking energy: -332.486 Base-Backbone interact. energy: -2.647 local terms energy: -395.596698 where: bonds (distance) C4'-P energy: -86.409 bonds (distance) P-C4' energy: -77.661 flat angles C4'-P-C4' energy: -82.577 flat angles P-C4'-P energy: -73.505 tors. eta vs tors. theta energy: -75.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -993.196488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.196488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.196488 (E_RNA) where: Base-Base interactions energy: -592.619 where: short stacking energy: -282.023 Base-Backbone interact. energy: 3.397 local terms energy: -403.974206 where: bonds (distance) C4'-P energy: -92.353 bonds (distance) P-C4' energy: -103.577 flat angles C4'-P-C4' energy: -82.567 flat angles P-C4'-P energy: -66.089 tors. eta vs tors. theta energy: -59.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -780.877084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.877084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.877084 (E_RNA) where: Base-Base interactions energy: -454.738 where: short stacking energy: -205.896 Base-Backbone interact. energy: -0.518 local terms energy: -325.621342 where: bonds (distance) C4'-P energy: -65.210 bonds (distance) P-C4' energy: -80.967 flat angles C4'-P-C4' energy: -87.795 flat angles P-C4'-P energy: -63.395 tors. eta vs tors. theta energy: -28.254 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: 346 Temperature: 1.250000 Total energy: -649.055139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.055139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.055139 (E_RNA) where: Base-Base interactions energy: -342.539 where: short stacking energy: -181.921 Base-Backbone interact. energy: 4.113 local terms energy: -310.629287 where: bonds (distance) C4'-P energy: -94.308 bonds (distance) P-C4' energy: -86.414 flat angles C4'-P-C4' energy: -58.797 flat angles P-C4'-P energy: -56.380 tors. eta vs tors. theta energy: -14.731 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: 9, replica: 4 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -515.371741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.371741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.371741 (E_RNA) where: Base-Base interactions energy: -266.740 where: short stacking energy: -158.471 Base-Backbone interact. energy: -1.794 local terms energy: -246.837472 where: bonds (distance) C4'-P energy: -70.572 bonds (distance) P-C4' energy: -78.945 flat angles C4'-P-C4' energy: -74.939 flat angles P-C4'-P energy: -21.001 tors. eta vs tors. theta energy: -1.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -495.943586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.943586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.943586 (E_RNA) where: Base-Base interactions energy: -226.151 where: short stacking energy: -135.213 Base-Backbone interact. energy: -0.916 local terms energy: -268.876437 where: bonds (distance) C4'-P energy: -85.143 bonds (distance) P-C4' energy: -86.264 flat angles C4'-P-C4' energy: -69.741 flat angles P-C4'-P energy: -36.398 tors. eta vs tors. theta energy: 8.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1490.174031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.174031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.174031 (E_RNA) where: Base-Base interactions energy: -1011.510 where: short stacking energy: -453.714 Base-Backbone interact. energy: -1.350 local terms energy: -477.314223 where: bonds (distance) C4'-P energy: -89.366 bonds (distance) P-C4' energy: -91.003 flat angles C4'-P-C4' energy: -104.059 flat angles P-C4'-P energy: -64.459 tors. eta vs tors. theta energy: -128.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1376.175199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.175199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.175199 (E_RNA) where: Base-Base interactions energy: -895.670 where: short stacking energy: -407.680 Base-Backbone interact. energy: -1.438 local terms energy: -479.067360 where: bonds (distance) C4'-P energy: -100.179 bonds (distance) P-C4' energy: -102.884 flat angles C4'-P-C4' energy: -97.904 flat angles P-C4'-P energy: -64.214 tors. eta vs tors. theta energy: -113.886 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: 2 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1335.825402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.825402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.825402 (E_RNA) where: Base-Base interactions energy: -867.278 where: short stacking energy: -400.170 Base-Backbone interact. energy: -2.798 local terms energy: -465.749150 where: bonds (distance) C4'-P energy: -84.917 bonds (distance) P-C4' energy: -85.740 flat angles C4'-P-C4' energy: -104.831 flat angles P-C4'-P energy: -64.514 tors. eta vs tors. theta energy: -125.748 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: 3 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1226.642475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.642475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.642475 (E_RNA) where: Base-Base interactions energy: -787.457 where: short stacking energy: -366.559 Base-Backbone interact. energy: 0.639 local terms energy: -439.824025 where: bonds (distance) C4'-P energy: -94.358 bonds (distance) P-C4' energy: -86.988 flat angles C4'-P-C4' energy: -97.334 flat angles P-C4'-P energy: -70.802 tors. eta vs tors. theta energy: -90.342 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: 5, replica: 7 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -1073.950061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.950061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.950061 (E_RNA) where: Base-Base interactions energy: -672.837 where: short stacking energy: -305.606 Base-Backbone interact. energy: 0.406 local terms energy: -401.519515 where: bonds (distance) C4'-P energy: -91.426 bonds (distance) P-C4' energy: -97.975 flat angles C4'-P-C4' energy: -88.464 flat angles P-C4'-P energy: -58.804 tors. eta vs tors. theta energy: -64.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -950.443927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.443927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.443927 (E_RNA) where: Base-Base interactions energy: -579.006 where: short stacking energy: -292.394 Base-Backbone interact. energy: 4.675 local terms energy: -376.113278 where: bonds (distance) C4'-P energy: -70.448 bonds (distance) P-C4' energy: -92.275 flat angles C4'-P-C4' energy: -89.516 flat angles P-C4'-P energy: -55.523 tors. eta vs tors. theta energy: -68.351 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: 7, replica: 1 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -809.920817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.920817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.920817 (E_RNA) where: Base-Base interactions energy: -474.280 where: short stacking energy: -213.768 Base-Backbone interact. energy: -0.568 local terms energy: -335.073084 where: bonds (distance) C4'-P energy: -89.776 bonds (distance) P-C4' energy: -89.873 flat angles C4'-P-C4' energy: -77.495 flat angles P-C4'-P energy: -43.740 tors. eta vs tors. theta energy: -34.189 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: 10 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -691.946666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.946666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.946666 (E_RNA) where: Base-Base interactions energy: -402.018 where: short stacking energy: -210.390 Base-Backbone interact. energy: -1.837 local terms energy: -288.091928 where: bonds (distance) C4'-P energy: -73.428 bonds (distance) P-C4' energy: -78.654 flat angles C4'-P-C4' energy: -68.089 flat angles P-C4'-P energy: -40.647 tors. eta vs tors. theta energy: -27.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -497.948468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.948468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.948468 (E_RNA) where: Base-Base interactions energy: -240.664 where: short stacking energy: -122.471 Base-Backbone interact. energy: 2.562 local terms energy: -259.846646 where: bonds (distance) C4'-P energy: -77.048 bonds (distance) P-C4' energy: -94.051 flat angles C4'-P-C4' energy: -73.946 flat angles P-C4'-P energy: -34.414 tors. eta vs tors. theta energy: 19.612 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: 8 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -519.334204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.334204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.334204 (E_RNA) where: Base-Base interactions energy: -244.429 where: short stacking energy: -155.822 Base-Backbone interact. energy: 2.824 local terms energy: -277.729424 where: bonds (distance) C4'-P energy: -86.578 bonds (distance) P-C4' energy: -93.857 flat angles C4'-P-C4' energy: -59.348 flat angles P-C4'-P energy: -37.252 tors. eta vs tors. theta energy: -0.695 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: 9 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1521.841325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.841325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.841325 (E_RNA) where: Base-Base interactions energy: -1015.141 where: short stacking energy: -444.656 Base-Backbone interact. energy: -0.813 local terms energy: -505.887202 where: bonds (distance) C4'-P energy: -93.658 bonds (distance) P-C4' energy: -103.919 flat angles C4'-P-C4' energy: -102.135 flat angles P-C4'-P energy: -78.935 tors. eta vs tors. theta energy: -127.241 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: 5 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1344.976685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.976685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.976685 (E_RNA) where: Base-Base interactions energy: -858.787 where: short stacking energy: -402.978 Base-Backbone interact. energy: -1.543 local terms energy: -484.646314 where: bonds (distance) C4'-P energy: -94.796 bonds (distance) P-C4' energy: -101.734 flat angles C4'-P-C4' energy: -102.884 flat angles P-C4'-P energy: -64.238 tors. eta vs tors. theta energy: -120.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1323.250732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.250732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.250732 (E_RNA) where: Base-Base interactions energy: -854.109 where: short stacking energy: -379.584 Base-Backbone interact. energy: -2.453 local terms energy: -466.688673 where: bonds (distance) C4'-P energy: -88.691 bonds (distance) P-C4' energy: -101.262 flat angles C4'-P-C4' energy: -95.271 flat angles P-C4'-P energy: -67.324 tors. eta vs tors. theta energy: -114.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1245.821721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.821721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.821721 (E_RNA) where: Base-Base interactions energy: -789.906 where: short stacking energy: -396.966 Base-Backbone interact. energy: 0.016 local terms energy: -455.931253 where: bonds (distance) C4'-P energy: -79.372 bonds (distance) P-C4' energy: -92.028 flat angles C4'-P-C4' energy: -97.810 flat angles P-C4'-P energy: -69.563 tors. eta vs tors. theta energy: -117.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -1103.228206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.228206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.228206 (E_RNA) where: Base-Base interactions energy: -707.251 where: short stacking energy: -318.898 Base-Backbone interact. energy: -2.096 local terms energy: -393.881793 where: bonds (distance) C4'-P energy: -82.190 bonds (distance) P-C4' energy: -95.441 flat angles C4'-P-C4' energy: -79.598 flat angles P-C4'-P energy: -65.282 tors. eta vs tors. theta energy: -71.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -905.365384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.365384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.365384 (E_RNA) where: Base-Base interactions energy: -517.555 where: short stacking energy: -255.111 Base-Backbone interact. energy: -1.095 local terms energy: -386.715381 where: bonds (distance) C4'-P energy: -90.573 bonds (distance) P-C4' energy: -89.313 flat angles C4'-P-C4' energy: -78.512 flat angles P-C4'-P energy: -61.310 tors. eta vs tors. theta energy: -67.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -833.553022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.553022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.553022 (E_RNA) where: Base-Base interactions energy: -489.180 where: short stacking energy: -233.178 Base-Backbone interact. energy: 0.406 local terms energy: -344.778866 where: bonds (distance) C4'-P energy: -88.228 bonds (distance) P-C4' energy: -84.940 flat angles C4'-P-C4' energy: -80.222 flat angles P-C4'-P energy: -41.987 tors. eta vs tors. theta energy: -49.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -693.687190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.687190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.687190 (E_RNA) where: Base-Base interactions energy: -420.257 where: short stacking energy: -204.422 Base-Backbone interact. energy: 1.733 local terms energy: -275.162527 where: bonds (distance) C4'-P energy: -61.210 bonds (distance) P-C4' energy: -89.519 flat angles C4'-P-C4' energy: -66.151 flat angles P-C4'-P energy: -45.892 tors. eta vs tors. theta energy: -12.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -495.582845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.582845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.582845 (E_RNA) where: Base-Base interactions energy: -220.592 where: short stacking energy: -138.816 Base-Backbone interact. energy: -0.655 local terms energy: -274.335408 where: bonds (distance) C4'-P energy: -75.482 bonds (distance) P-C4' energy: -94.698 flat angles C4'-P-C4' energy: -69.439 flat angles P-C4'-P energy: -46.631 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: 10, replica: 8 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -494.776124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.776124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.776124 (E_RNA) where: Base-Base interactions energy: -220.109 where: short stacking energy: -124.202 Base-Backbone interact. energy: -0.897 local terms energy: -273.770675 where: bonds (distance) C4'-P energy: -78.565 bonds (distance) P-C4' energy: -82.044 flat angles C4'-P-C4' energy: -81.521 flat angles P-C4'-P energy: -33.088 tors. eta vs tors. theta energy: 1.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1521.058090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.058090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.058090 (E_RNA) where: Base-Base interactions energy: -1004.252 where: short stacking energy: -475.118 Base-Backbone interact. energy: -2.272 local terms energy: -514.534146 where: bonds (distance) C4'-P energy: -98.164 bonds (distance) P-C4' energy: -94.745 flat angles C4'-P-C4' energy: -113.208 flat angles P-C4'-P energy: -74.868 tors. eta vs tors. theta energy: -133.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1353.853894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.853894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.853894 (E_RNA) where: Base-Base interactions energy: -879.962 where: short stacking energy: -400.300 Base-Backbone interact. energy: 0.668 local terms energy: -474.559995 where: bonds (distance) C4'-P energy: -85.267 bonds (distance) P-C4' energy: -104.641 flat angles C4'-P-C4' energy: -98.068 flat angles P-C4'-P energy: -74.012 tors. eta vs tors. theta energy: -112.572 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: 2 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1317.595901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.595901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.595901 (E_RNA) where: Base-Base interactions energy: -850.118 where: short stacking energy: -376.011 Base-Backbone interact. energy: 0.329 local terms energy: -467.806815 where: bonds (distance) C4'-P energy: -89.989 bonds (distance) P-C4' energy: -97.411 flat angles C4'-P-C4' energy: -100.507 flat angles P-C4'-P energy: -73.405 tors. eta vs tors. theta energy: -106.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -1226.358638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.358638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.358638 (E_RNA) where: Base-Base interactions energy: -790.410 where: short stacking energy: -402.712 Base-Backbone interact. energy: -2.323 local terms energy: -433.625170 where: bonds (distance) C4'-P energy: -91.372 bonds (distance) P-C4' energy: -90.648 flat angles C4'-P-C4' energy: -92.012 flat angles P-C4'-P energy: -51.763 tors. eta vs tors. theta energy: -107.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -1138.709026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.709026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.709026 (E_RNA) where: Base-Base interactions energy: -736.733 where: short stacking energy: -346.278 Base-Backbone interact. energy: -1.278 local terms energy: -400.698397 where: bonds (distance) C4'-P energy: -87.992 bonds (distance) P-C4' energy: -86.246 flat angles C4'-P-C4' energy: -84.461 flat angles P-C4'-P energy: -56.069 tors. eta vs tors. theta energy: -85.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -866.936481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.936481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.936481 (E_RNA) where: Base-Base interactions energy: -496.487 where: short stacking energy: -251.241 Base-Backbone interact. energy: -1.750 local terms energy: -368.698625 where: bonds (distance) C4'-P energy: -91.441 bonds (distance) P-C4' energy: -75.097 flat angles C4'-P-C4' energy: -91.137 flat angles P-C4'-P energy: -58.161 tors. eta vs tors. theta energy: -52.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -928.285303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.285303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.285303 (E_RNA) where: Base-Base interactions energy: -571.604 where: short stacking energy: -287.933 Base-Backbone interact. energy: -1.033 local terms energy: -355.648097 where: bonds (distance) C4'-P energy: -70.551 bonds (distance) P-C4' energy: -82.347 flat angles C4'-P-C4' energy: -87.703 flat angles P-C4'-P energy: -39.697 tors. eta vs tors. theta energy: -75.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -655.872073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.872073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.872073 (E_RNA) where: Base-Base interactions energy: -380.205 where: short stacking energy: -187.764 Base-Backbone interact. energy: -0.032 local terms energy: -275.634785 where: bonds (distance) C4'-P energy: -91.469 bonds (distance) P-C4' energy: -82.093 flat angles C4'-P-C4' energy: -61.943 flat angles P-C4'-P energy: -27.179 tors. eta vs tors. theta energy: -12.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -541.002525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.002525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.002525 (E_RNA) where: Base-Base interactions energy: -264.898 where: short stacking energy: -158.303 Base-Backbone interact. energy: 2.760 local terms energy: -278.865032 where: bonds (distance) C4'-P energy: -62.648 bonds (distance) P-C4' energy: -91.092 flat angles C4'-P-C4' energy: -78.850 flat angles P-C4'-P energy: -43.725 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: 8 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -476.933881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.933881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.933881 (E_RNA) where: Base-Base interactions energy: -231.160 where: short stacking energy: -159.602 Base-Backbone interact. energy: -0.983 local terms energy: -244.790748 where: bonds (distance) C4'-P energy: -61.628 bonds (distance) P-C4' energy: -70.401 flat angles C4'-P-C4' energy: -64.625 flat angles P-C4'-P energy: -48.008 tors. eta vs tors. theta energy: -0.129 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: 9 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1538.451963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.451963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.451963 (E_RNA) where: Base-Base interactions energy: -1073.864 where: short stacking energy: -474.622 Base-Backbone interact. energy: -0.540 local terms energy: -464.047776 where: bonds (distance) C4'-P energy: -86.234 bonds (distance) P-C4' energy: -90.501 flat angles C4'-P-C4' energy: -106.346 flat angles P-C4'-P energy: -56.506 tors. eta vs tors. theta energy: -124.462 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: 5 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1380.721658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.721658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.721658 (E_RNA) where: Base-Base interactions energy: -900.767 where: short stacking energy: -431.236 Base-Backbone interact. energy: -0.980 local terms energy: -478.974586 where: bonds (distance) C4'-P energy: -91.589 bonds (distance) P-C4' energy: -103.394 flat angles C4'-P-C4' energy: -98.358 flat angles P-C4'-P energy: -73.030 tors. eta vs tors. theta energy: -112.603 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: 3, replica: 2 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1349.008227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.008227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.008227 (E_RNA) where: Base-Base interactions energy: -874.637 where: short stacking energy: -405.384 Base-Backbone interact. energy: -1.499 local terms energy: -472.872153 where: bonds (distance) C4'-P energy: -90.403 bonds (distance) P-C4' energy: -95.207 flat angles C4'-P-C4' energy: -102.573 flat angles P-C4'-P energy: -64.320 tors. eta vs tors. theta energy: -120.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -1192.177962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.177962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.177962 (E_RNA) where: Base-Base interactions energy: -737.133 where: short stacking energy: -379.696 Base-Backbone interact. energy: -1.346 local terms energy: -453.698802 where: bonds (distance) C4'-P energy: -89.829 bonds (distance) P-C4' energy: -84.692 flat angles C4'-P-C4' energy: -95.079 flat angles P-C4'-P energy: -76.570 tors. eta vs tors. theta energy: -107.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1143.453076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.453076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.453076 (E_RNA) where: Base-Base interactions energy: -717.194 where: short stacking energy: -331.165 Base-Backbone interact. energy: -2.993 local terms energy: -423.266819 where: bonds (distance) C4'-P energy: -92.762 bonds (distance) P-C4' energy: -98.540 flat angles C4'-P-C4' energy: -82.196 flat angles P-C4'-P energy: -64.461 tors. eta vs tors. theta energy: -85.308 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: 350 Temperature: 1.150000 Total energy: -881.579564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.579564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.579564 (E_RNA) where: Base-Base interactions energy: -494.569 where: short stacking energy: -252.722 Base-Backbone interact. energy: -2.823 local terms energy: -384.187513 where: bonds (distance) C4'-P energy: -94.228 bonds (distance) P-C4' energy: -83.067 flat angles C4'-P-C4' energy: -87.145 flat angles P-C4'-P energy: -60.073 tors. eta vs tors. theta energy: -59.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -862.954440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.954440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.954440 (E_RNA) where: Base-Base interactions energy: -526.764 where: short stacking energy: -235.805 Base-Backbone interact. energy: -0.274 local terms energy: -335.916040 where: bonds (distance) C4'-P energy: -78.790 bonds (distance) P-C4' energy: -85.871 flat angles C4'-P-C4' energy: -71.809 flat angles P-C4'-P energy: -52.895 tors. eta vs tors. theta energy: -46.552 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: 10 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -662.996588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.996588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.996588 (E_RNA) where: Base-Base interactions energy: -361.870 where: short stacking energy: -193.093 Base-Backbone interact. energy: -2.176 local terms energy: -298.950992 where: bonds (distance) C4'-P energy: -75.348 bonds (distance) P-C4' energy: -78.464 flat angles C4'-P-C4' energy: -65.124 flat angles P-C4'-P energy: -52.967 tors. eta vs tors. theta energy: -27.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -560.577674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.577674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.577674 (E_RNA) where: Base-Base interactions energy: -300.203 where: short stacking energy: -161.973 Base-Backbone interact. energy: 2.698 local terms energy: -263.072771 where: bonds (distance) C4'-P energy: -81.954 bonds (distance) P-C4' energy: -82.774 flat angles C4'-P-C4' energy: -59.119 flat angles P-C4'-P energy: -36.839 tors. eta vs tors. theta energy: -2.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -469.793960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.793960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.793960 (E_RNA) where: Base-Base interactions energy: -217.408 where: short stacking energy: -126.025 Base-Backbone interact. energy: 0.550 local terms energy: -252.935817 where: bonds (distance) C4'-P energy: -91.281 bonds (distance) P-C4' energy: -70.305 flat angles C4'-P-C4' energy: -68.940 flat angles P-C4'-P energy: -43.216 tors. eta vs tors. theta energy: 20.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1546.135295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.135295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.135295 (E_RNA) where: Base-Base interactions energy: -1042.620 where: short stacking energy: -475.448 Base-Backbone interact. energy: -2.029 local terms energy: -501.485853 where: bonds (distance) C4'-P energy: -92.329 bonds (distance) P-C4' energy: -83.250 flat angles C4'-P-C4' energy: -114.398 flat angles P-C4'-P energy: -72.308 tors. eta vs tors. theta energy: -139.202 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: 5 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1361.534064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.534064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.534064 (E_RNA) where: Base-Base interactions energy: -909.455 where: short stacking energy: -449.051 Base-Backbone interact. energy: 1.239 local terms energy: -453.318058 where: bonds (distance) C4'-P energy: -87.639 bonds (distance) P-C4' energy: -99.226 flat angles C4'-P-C4' energy: -98.313 flat angles P-C4'-P energy: -43.198 tors. eta vs tors. theta energy: -124.942 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: 2 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1319.616072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.616072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.616072 (E_RNA) where: Base-Base interactions energy: -866.063 where: short stacking energy: -378.218 Base-Backbone interact. energy: -2.328 local terms energy: -451.224869 where: bonds (distance) C4'-P energy: -82.796 bonds (distance) P-C4' energy: -97.915 flat angles C4'-P-C4' energy: -102.783 flat angles P-C4'-P energy: -69.428 tors. eta vs tors. theta energy: -98.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1230.045834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.045834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.045834 (E_RNA) where: Base-Base interactions energy: -804.981 where: short stacking energy: -387.654 Base-Backbone interact. energy: 3.198 local terms energy: -428.262284 where: bonds (distance) C4'-P energy: -81.314 bonds (distance) P-C4' energy: -83.624 flat angles C4'-P-C4' energy: -94.823 flat angles P-C4'-P energy: -70.844 tors. eta vs tors. theta energy: -97.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -1095.262841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.262841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.262841 (E_RNA) where: Base-Base interactions energy: -698.831 where: short stacking energy: -324.759 Base-Backbone interact. energy: -2.236 local terms energy: -394.196025 where: bonds (distance) C4'-P energy: -84.140 bonds (distance) P-C4' energy: -82.652 flat angles C4'-P-C4' energy: -91.857 flat angles P-C4'-P energy: -62.568 tors. eta vs tors. theta energy: -72.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -876.749456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.749456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.749456 (E_RNA) where: Base-Base interactions energy: -506.922 where: short stacking energy: -257.429 Base-Backbone interact. energy: -0.484 local terms energy: -369.343264 where: bonds (distance) C4'-P energy: -82.752 bonds (distance) P-C4' energy: -94.907 flat angles C4'-P-C4' energy: -80.079 flat angles P-C4'-P energy: -61.408 tors. eta vs tors. theta energy: -50.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -940.603335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.603335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.603335 (E_RNA) where: Base-Base interactions energy: -580.041 where: short stacking energy: -260.597 Base-Backbone interact. energy: 0.826 local terms energy: -361.388392 where: bonds (distance) C4'-P energy: -88.892 bonds (distance) P-C4' energy: -78.903 flat angles C4'-P-C4' energy: -90.853 flat angles P-C4'-P energy: -45.132 tors. eta vs tors. theta energy: -57.608 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: 10 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -691.721077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.721077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.721077 (E_RNA) where: Base-Base interactions energy: -402.465 where: short stacking energy: -228.731 Base-Backbone interact. energy: -0.887 local terms energy: -288.369464 where: bonds (distance) C4'-P energy: -56.589 bonds (distance) P-C4' energy: -92.045 flat angles C4'-P-C4' energy: -70.289 flat angles P-C4'-P energy: -38.750 tors. eta vs tors. theta energy: -30.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -556.680048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.680048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.680048 (E_RNA) where: Base-Base interactions energy: -286.334 where: short stacking energy: -163.568 Base-Backbone interact. energy: 1.975 local terms energy: -272.321104 where: bonds (distance) C4'-P energy: -70.277 bonds (distance) P-C4' energy: -81.444 flat angles C4'-P-C4' energy: -75.114 flat angles P-C4'-P energy: -36.200 tors. eta vs tors. theta energy: -9.286 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: 8 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -476.119937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.119937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.119937 (E_RNA) where: Base-Base interactions energy: -211.880 where: short stacking energy: -131.411 Base-Backbone interact. energy: -0.310 local terms energy: -263.930047 where: bonds (distance) C4'-P energy: -73.246 bonds (distance) P-C4' energy: -59.998 flat angles C4'-P-C4' energy: -67.968 flat angles P-C4'-P energy: -56.043 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: 1, replica: 9 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1545.410190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.410190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.410190 (E_RNA) where: Base-Base interactions energy: -1030.154 where: short stacking energy: -475.181 Base-Backbone interact. energy: -2.745 local terms energy: -512.511900 where: bonds (distance) C4'-P energy: -91.115 bonds (distance) P-C4' energy: -96.567 flat angles C4'-P-C4' energy: -116.645 flat angles P-C4'-P energy: -63.604 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: 2, replica: 5 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1394.328426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.328426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.328426 (E_RNA) where: Base-Base interactions energy: -923.389 where: short stacking energy: -433.232 Base-Backbone interact. energy: -0.628 local terms energy: -470.312194 where: bonds (distance) C4'-P energy: -92.436 bonds (distance) P-C4' energy: -90.067 flat angles C4'-P-C4' energy: -105.149 flat angles P-C4'-P energy: -64.671 tors. eta vs tors. theta energy: -117.989 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: 352 Temperature: 1.000000 Total energy: -1342.359132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.359132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.359132 (E_RNA) where: Base-Base interactions energy: -864.524 where: short stacking energy: -378.076 Base-Backbone interact. energy: 0.647 local terms energy: -478.482429 where: bonds (distance) C4'-P energy: -90.946 bonds (distance) P-C4' energy: -94.642 flat angles C4'-P-C4' energy: -104.117 flat angles P-C4'-P energy: -72.654 tors. eta vs tors. theta energy: -116.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -1200.181053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.181053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.181053 (E_RNA) where: Base-Base interactions energy: -799.482 where: short stacking energy: -374.269 Base-Backbone interact. energy: 1.793 local terms energy: -402.492603 where: bonds (distance) C4'-P energy: -78.026 bonds (distance) P-C4' energy: -68.183 flat angles C4'-P-C4' energy: -104.471 flat angles P-C4'-P energy: -67.655 tors. eta vs tors. theta energy: -84.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1097.538185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.538185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.538185 (E_RNA) where: Base-Base interactions energy: -689.554 where: short stacking energy: -323.097 Base-Backbone interact. energy: 1.051 local terms energy: -409.035283 where: bonds (distance) C4'-P energy: -88.336 bonds (distance) P-C4' energy: -92.087 flat angles C4'-P-C4' energy: -95.090 flat angles P-C4'-P energy: -54.323 tors. eta vs tors. theta energy: -79.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -904.236880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.236880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.236880 (E_RNA) where: Base-Base interactions energy: -548.748 where: short stacking energy: -274.362 Base-Backbone interact. energy: -3.629 local terms energy: -351.860554 where: bonds (distance) C4'-P energy: -89.705 bonds (distance) P-C4' energy: -82.158 flat angles C4'-P-C4' energy: -88.144 flat angles P-C4'-P energy: -52.097 tors. eta vs tors. theta energy: -39.755 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: 6 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -894.304748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.304748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.304748 (E_RNA) where: Base-Base interactions energy: -559.571 where: short stacking energy: -274.863 Base-Backbone interact. energy: 1.099 local terms energy: -335.833302 where: bonds (distance) C4'-P energy: -75.245 bonds (distance) P-C4' energy: -85.834 flat angles C4'-P-C4' energy: -81.165 flat angles P-C4'-P energy: -38.438 tors. eta vs tors. theta energy: -55.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -693.138042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.138042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.138042 (E_RNA) where: Base-Base interactions energy: -370.351 where: short stacking energy: -228.623 Base-Backbone interact. energy: 0.195 local terms energy: -322.981950 where: bonds (distance) C4'-P energy: -78.642 bonds (distance) P-C4' energy: -73.527 flat angles C4'-P-C4' energy: -86.267 flat angles P-C4'-P energy: -45.237 tors. eta vs tors. theta energy: -39.308 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: 4 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -555.432575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.432575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.432575 (E_RNA) where: Base-Base interactions energy: -280.636 where: short stacking energy: -161.649 Base-Backbone interact. energy: 0.474 local terms energy: -275.270810 where: bonds (distance) C4'-P energy: -77.069 bonds (distance) P-C4' energy: -77.333 flat angles C4'-P-C4' energy: -74.433 flat angles P-C4'-P energy: -38.787 tors. eta vs tors. theta energy: -7.648 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: 8 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -472.437214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.437214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.437214 (E_RNA) where: Base-Base interactions energy: -219.380 where: short stacking energy: -143.594 Base-Backbone interact. energy: 0.301 local terms energy: -253.358176 where: bonds (distance) C4'-P energy: -75.994 bonds (distance) P-C4' energy: -77.135 flat angles C4'-P-C4' energy: -68.029 flat angles P-C4'-P energy: -35.891 tors. eta vs tors. theta energy: 3.691 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: 9 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1543.036451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.036451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.036451 (E_RNA) where: Base-Base interactions energy: -1026.522 where: short stacking energy: -460.255 Base-Backbone interact. energy: 0.573 local terms energy: -517.087275 where: bonds (distance) C4'-P energy: -92.007 bonds (distance) P-C4' energy: -100.966 flat angles C4'-P-C4' energy: -114.921 flat angles P-C4'-P energy: -76.816 tors. eta vs tors. theta energy: -132.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1430.014443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.014443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.014443 (E_RNA) where: Base-Base interactions energy: -911.398 where: short stacking energy: -436.251 Base-Backbone interact. energy: -0.766 local terms energy: -517.851016 where: bonds (distance) C4'-P energy: -107.928 bonds (distance) P-C4' energy: -95.487 flat angles C4'-P-C4' energy: -96.688 flat angles P-C4'-P energy: -72.380 tors. eta vs tors. theta energy: -145.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1331.263978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.263978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.263978 (E_RNA) where: Base-Base interactions energy: -870.473 where: short stacking energy: -385.760 Base-Backbone interact. energy: -2.799 local terms energy: -457.991298 where: bonds (distance) C4'-P energy: -94.783 bonds (distance) P-C4' energy: -98.570 flat angles C4'-P-C4' energy: -91.944 flat angles P-C4'-P energy: -64.112 tors. eta vs tors. theta energy: -108.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -1200.731890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.731890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.731890 (E_RNA) where: Base-Base interactions energy: -755.685 where: short stacking energy: -364.056 Base-Backbone interact. energy: -3.139 local terms energy: -441.908452 where: bonds (distance) C4'-P energy: -89.941 bonds (distance) P-C4' energy: -82.100 flat angles C4'-P-C4' energy: -98.281 flat angles P-C4'-P energy: -68.181 tors. eta vs tors. theta energy: -103.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1147.017949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.017949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.017949 (E_RNA) where: Base-Base interactions energy: -747.700 where: short stacking energy: -330.878 Base-Backbone interact. energy: -1.916 local terms energy: -397.401466 where: bonds (distance) C4'-P energy: -82.209 bonds (distance) P-C4' energy: -76.190 flat angles C4'-P-C4' energy: -107.973 flat angles P-C4'-P energy: -56.798 tors. eta vs tors. theta energy: -74.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -938.170151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.170151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.170151 (E_RNA) where: Base-Base interactions energy: -563.329 where: short stacking energy: -266.340 Base-Backbone interact. energy: -1.246 local terms energy: -373.595139 where: bonds (distance) C4'-P energy: -103.266 bonds (distance) P-C4' energy: -84.682 flat angles C4'-P-C4' energy: -76.532 flat angles P-C4'-P energy: -45.623 tors. eta vs tors. theta energy: -63.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -851.769006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.769006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.769006 (E_RNA) where: Base-Base interactions energy: -498.083 where: short stacking energy: -248.070 Base-Backbone interact. energy: -2.395 local terms energy: -351.291185 where: bonds (distance) C4'-P energy: -83.510 bonds (distance) P-C4' energy: -84.250 flat angles C4'-P-C4' energy: -80.699 flat angles P-C4'-P energy: -50.256 tors. eta vs tors. theta energy: -52.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -674.569474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.569474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.569474 (E_RNA) where: Base-Base interactions energy: -380.019 where: short stacking energy: -203.390 Base-Backbone interact. energy: 0.221 local terms energy: -294.771899 where: bonds (distance) C4'-P energy: -74.114 bonds (distance) P-C4' energy: -75.999 flat angles C4'-P-C4' energy: -85.310 flat angles P-C4'-P energy: -31.507 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: 4 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -562.081835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.081835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.081835 (E_RNA) where: Base-Base interactions energy: -287.425 where: short stacking energy: -169.109 Base-Backbone interact. energy: 0.002 local terms energy: -274.658234 where: bonds (distance) C4'-P energy: -78.088 bonds (distance) P-C4' energy: -82.775 flat angles C4'-P-C4' energy: -75.127 flat angles P-C4'-P energy: -32.292 tors. eta vs tors. theta energy: -6.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -467.217600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.217600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.217600 (E_RNA) where: Base-Base interactions energy: -210.504 where: short stacking energy: -147.484 Base-Backbone interact. energy: -0.735 local terms energy: -255.978292 where: bonds (distance) C4'-P energy: -58.745 bonds (distance) P-C4' energy: -85.801 flat angles C4'-P-C4' energy: -74.260 flat angles P-C4'-P energy: -36.950 tors. eta vs tors. theta energy: -0.223 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: 9 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1566.012000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.012000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.012000 (E_RNA) where: Base-Base interactions energy: -1054.029 where: short stacking energy: -488.520 Base-Backbone interact. energy: 0.873 local terms energy: -512.856123 where: bonds (distance) C4'-P energy: -90.954 bonds (distance) P-C4' energy: -84.720 flat angles C4'-P-C4' energy: -112.796 flat angles P-C4'-P energy: -79.781 tors. eta vs tors. theta energy: -144.606 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: 5 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1436.919490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.919490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.919490 (E_RNA) where: Base-Base interactions energy: -927.436 where: short stacking energy: -467.918 Base-Backbone interact. energy: -1.041 local terms energy: -508.442134 where: bonds (distance) C4'-P energy: -90.833 bonds (distance) P-C4' energy: -96.021 flat angles C4'-P-C4' energy: -107.649 flat angles P-C4'-P energy: -74.733 tors. eta vs tors. theta energy: -139.207 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: 2 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1364.164786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.164786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.164786 (E_RNA) where: Base-Base interactions energy: -903.584 where: short stacking energy: -420.112 Base-Backbone interact. energy: -2.041 local terms energy: -458.540069 where: bonds (distance) C4'-P energy: -79.294 bonds (distance) P-C4' energy: -97.809 flat angles C4'-P-C4' energy: -98.487 flat angles P-C4'-P energy: -46.753 tors. eta vs tors. theta energy: -136.197 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: 3 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -1202.460294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.460294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.460294 (E_RNA) where: Base-Base interactions energy: -763.094 where: short stacking energy: -373.525 Base-Backbone interact. energy: 2.478 local terms energy: -441.844043 where: bonds (distance) C4'-P energy: -79.399 bonds (distance) P-C4' energy: -100.278 flat angles C4'-P-C4' energy: -89.652 flat angles P-C4'-P energy: -66.647 tors. eta vs tors. theta energy: -105.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -1133.538891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.538891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.538891 (E_RNA) where: Base-Base interactions energy: -731.071 where: short stacking energy: -339.812 Base-Backbone interact. energy: 3.337 local terms energy: -405.804995 where: bonds (distance) C4'-P energy: -98.026 bonds (distance) P-C4' energy: -77.157 flat angles C4'-P-C4' energy: -96.167 flat angles P-C4'-P energy: -56.570 tors. eta vs tors. theta energy: -77.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -884.922663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.922663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.922663 (E_RNA) where: Base-Base interactions energy: -526.673 where: short stacking energy: -251.186 Base-Backbone interact. energy: -0.262 local terms energy: -357.987853 where: bonds (distance) C4'-P energy: -78.886 bonds (distance) P-C4' energy: -97.362 flat angles C4'-P-C4' energy: -79.798 flat angles P-C4'-P energy: -55.573 tors. eta vs tors. theta energy: -46.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -889.146728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.146728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.146728 (E_RNA) where: Base-Base interactions energy: -533.829 where: short stacking energy: -234.270 Base-Backbone interact. energy: -0.200 local terms energy: -355.117882 where: bonds (distance) C4'-P energy: -86.896 bonds (distance) P-C4' energy: -92.495 flat angles C4'-P-C4' energy: -82.535 flat angles P-C4'-P energy: -49.302 tors. eta vs tors. theta energy: -43.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -681.742693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.742693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.742693 (E_RNA) where: Base-Base interactions energy: -364.618 where: short stacking energy: -184.598 Base-Backbone interact. energy: -3.279 local terms energy: -313.845585 where: bonds (distance) C4'-P energy: -76.751 bonds (distance) P-C4' energy: -83.963 flat angles C4'-P-C4' energy: -88.682 flat angles P-C4'-P energy: -34.668 tors. eta vs tors. theta energy: -29.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -513.491923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.491923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.491923 (E_RNA) where: Base-Base interactions energy: -257.471 where: short stacking energy: -161.301 Base-Backbone interact. energy: 1.671 local terms energy: -257.691852 where: bonds (distance) C4'-P energy: -73.933 bonds (distance) P-C4' energy: -75.639 flat angles C4'-P-C4' energy: -56.770 flat angles P-C4'-P energy: -37.934 tors. eta vs tors. theta energy: -13.415 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: 10, replica: 8 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -436.682315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.682315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.682315 (E_RNA) where: Base-Base interactions energy: -189.260 where: short stacking energy: -123.839 Base-Backbone interact. energy: 0.370 local terms energy: -247.792401 where: bonds (distance) C4'-P energy: -70.680 bonds (distance) P-C4' energy: -81.213 flat angles C4'-P-C4' energy: -60.336 flat angles P-C4'-P energy: -44.012 tors. eta vs tors. theta energy: 8.449 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: 9 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1544.087734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.087734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.087734 (E_RNA) where: Base-Base interactions energy: -1011.417 where: short stacking energy: -462.889 Base-Backbone interact. energy: -4.190 local terms energy: -528.481390 where: bonds (distance) C4'-P energy: -100.878 bonds (distance) P-C4' energy: -103.987 flat angles C4'-P-C4' energy: -99.883 flat angles P-C4'-P energy: -75.547 tors. eta vs tors. theta energy: -148.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -1393.300052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.300052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.300052 (E_RNA) where: Base-Base interactions energy: -900.889 where: short stacking energy: -425.328 Base-Backbone interact. energy: -0.410 local terms energy: -492.001265 where: bonds (distance) C4'-P energy: -101.973 bonds (distance) P-C4' energy: -91.472 flat angles C4'-P-C4' energy: -113.071 flat angles P-C4'-P energy: -65.625 tors. eta vs tors. theta energy: -119.860 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: 3, replica: 5 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1316.667793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.667793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.667793 (E_RNA) where: Base-Base interactions energy: -855.470 where: short stacking energy: -390.493 Base-Backbone interact. energy: -2.940 local terms energy: -458.258110 where: bonds (distance) C4'-P energy: -86.805 bonds (distance) P-C4' energy: -96.730 flat angles C4'-P-C4' energy: -102.375 flat angles P-C4'-P energy: -60.600 tors. eta vs tors. theta energy: -111.748 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: 7 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1180.309562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.309562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.309562 (E_RNA) where: Base-Base interactions energy: -743.396 where: short stacking energy: -365.138 Base-Backbone interact. energy: -0.519 local terms energy: -436.394395 where: bonds (distance) C4'-P energy: -77.724 bonds (distance) P-C4' energy: -88.243 flat angles C4'-P-C4' energy: -110.776 flat angles P-C4'-P energy: -67.034 tors. eta vs tors. theta energy: -92.617 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: 3 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -1171.780941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.780941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.780941 (E_RNA) where: Base-Base interactions energy: -745.886 where: short stacking energy: -356.269 Base-Backbone interact. energy: -1.236 local terms energy: -424.658671 where: bonds (distance) C4'-P energy: -75.742 bonds (distance) P-C4' energy: -96.713 flat angles C4'-P-C4' energy: -92.238 flat angles P-C4'-P energy: -63.296 tors. eta vs tors. theta energy: -96.670 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: 1 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -887.007599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.007599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.007599 (E_RNA) where: Base-Base interactions energy: -525.984 where: short stacking energy: -276.718 Base-Backbone interact. energy: -1.862 local terms energy: -359.162466 where: bonds (distance) C4'-P energy: -78.847 bonds (distance) P-C4' energy: -81.340 flat angles C4'-P-C4' energy: -90.672 flat angles P-C4'-P energy: -49.302 tors. eta vs tors. theta energy: -59.002 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: 7, replica: 6 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -834.445887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.445887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.445887 (E_RNA) where: Base-Base interactions energy: -507.681 where: short stacking energy: -232.945 Base-Backbone interact. energy: 1.783 local terms energy: -328.547817 where: bonds (distance) C4'-P energy: -96.099 bonds (distance) P-C4' energy: -88.304 flat angles C4'-P-C4' energy: -73.878 flat angles P-C4'-P energy: -37.338 tors. eta vs tors. theta energy: -32.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -689.010699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.010699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.010699 (E_RNA) where: Base-Base interactions energy: -360.212 where: short stacking energy: -219.098 Base-Backbone interact. energy: 1.494 local terms energy: -330.292179 where: bonds (distance) C4'-P energy: -89.543 bonds (distance) P-C4' energy: -79.525 flat angles C4'-P-C4' energy: -83.360 flat angles P-C4'-P energy: -47.414 tors. eta vs tors. theta energy: -30.450 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: 355 Temperature: 1.300000 Total energy: -491.733592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.733592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.733592 (E_RNA) where: Base-Base interactions energy: -224.027 where: short stacking energy: -115.346 Base-Backbone interact. energy: -1.302 local terms energy: -266.404236 where: bonds (distance) C4'-P energy: -94.310 bonds (distance) P-C4' energy: -75.530 flat angles C4'-P-C4' energy: -74.001 flat angles P-C4'-P energy: -33.373 tors. eta vs tors. theta energy: 10.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -484.028838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.028838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.028838 (E_RNA) where: Base-Base interactions energy: -222.814 where: short stacking energy: -147.958 Base-Backbone interact. energy: 0.119 local terms energy: -261.333789 where: bonds (distance) C4'-P energy: -86.412 bonds (distance) P-C4' energy: -96.261 flat angles C4'-P-C4' energy: -61.852 flat angles P-C4'-P energy: -17.872 tors. eta vs tors. theta energy: 1.064 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: 9 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1518.770107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.770107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.770107 (E_RNA) where: Base-Base interactions energy: -1029.568 where: short stacking energy: -468.980 Base-Backbone interact. energy: 1.309 local terms energy: -490.511477 where: bonds (distance) C4'-P energy: -94.474 bonds (distance) P-C4' energy: -84.231 flat angles C4'-P-C4' energy: -100.388 flat angles P-C4'-P energy: -79.722 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: 2, replica: 2 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1409.426034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.426034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.426034 (E_RNA) where: Base-Base interactions energy: -913.880 where: short stacking energy: -417.264 Base-Backbone interact. energy: -2.275 local terms energy: -493.271106 where: bonds (distance) C4'-P energy: -95.871 bonds (distance) P-C4' energy: -90.932 flat angles C4'-P-C4' energy: -104.201 flat angles P-C4'-P energy: -67.859 tors. eta vs tors. theta energy: -134.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1355.439889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.439889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.439889 (E_RNA) where: Base-Base interactions energy: -881.774 where: short stacking energy: -447.813 Base-Backbone interact. energy: -1.779 local terms energy: -471.886591 where: bonds (distance) C4'-P energy: -92.985 bonds (distance) P-C4' energy: -89.215 flat angles C4'-P-C4' energy: -99.303 flat angles P-C4'-P energy: -59.142 tors. eta vs tors. theta energy: -131.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1218.843388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.843388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.843388 (E_RNA) where: Base-Base interactions energy: -794.765 where: short stacking energy: -396.185 Base-Backbone interact. energy: -0.090 local terms energy: -423.987946 where: bonds (distance) C4'-P energy: -86.537 bonds (distance) P-C4' energy: -79.917 flat angles C4'-P-C4' energy: -95.414 flat angles P-C4'-P energy: -60.851 tors. eta vs tors. theta energy: -101.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -1136.142294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.142294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.142294 (E_RNA) where: Base-Base interactions energy: -724.533 where: short stacking energy: -346.381 Base-Backbone interact. energy: -0.170 local terms energy: -411.439229 where: bonds (distance) C4'-P energy: -75.354 bonds (distance) P-C4' energy: -90.857 flat angles C4'-P-C4' energy: -93.780 flat angles P-C4'-P energy: -57.118 tors. eta vs tors. theta energy: -94.330 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: 1 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -919.009605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.009605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.009605 (E_RNA) where: Base-Base interactions energy: -545.196 where: short stacking energy: -280.958 Base-Backbone interact. energy: 1.546 local terms energy: -375.359014 where: bonds (distance) C4'-P energy: -78.887 bonds (distance) P-C4' energy: -80.154 flat angles C4'-P-C4' energy: -88.465 flat angles P-C4'-P energy: -62.590 tors. eta vs tors. theta energy: -65.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -857.866964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.866964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.866964 (E_RNA) where: Base-Base interactions energy: -505.184 where: short stacking energy: -247.454 Base-Backbone interact. energy: -0.042 local terms energy: -352.641686 where: bonds (distance) C4'-P energy: -77.770 bonds (distance) P-C4' energy: -76.398 flat angles C4'-P-C4' energy: -92.651 flat angles P-C4'-P energy: -52.227 tors. eta vs tors. theta energy: -53.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -703.673977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.673977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.673977 (E_RNA) where: Base-Base interactions energy: -389.312 where: short stacking energy: -239.771 Base-Backbone interact. energy: 0.033 local terms energy: -314.395038 where: bonds (distance) C4'-P energy: -75.844 bonds (distance) P-C4' energy: -81.066 flat angles C4'-P-C4' energy: -69.996 flat angles P-C4'-P energy: -44.528 tors. eta vs tors. theta energy: -42.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -519.550897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.550897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.550897 (E_RNA) where: Base-Base interactions energy: -238.507 where: short stacking energy: -164.309 Base-Backbone interact. energy: 0.906 local terms energy: -281.950242 where: bonds (distance) C4'-P energy: -84.999 bonds (distance) P-C4' energy: -86.488 flat angles C4'-P-C4' energy: -63.620 flat angles P-C4'-P energy: -41.140 tors. eta vs tors. theta energy: -5.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -463.432506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.432506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.432506 (E_RNA) where: Base-Base interactions energy: -219.703 where: short stacking energy: -124.108 Base-Backbone interact. energy: 2.215 local terms energy: -245.945421 where: bonds (distance) C4'-P energy: -80.632 bonds (distance) P-C4' energy: -84.587 flat angles C4'-P-C4' energy: -67.216 flat angles P-C4'-P energy: -30.512 tors. eta vs tors. theta energy: 17.002 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: 9 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1518.131975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.131975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.131975 (E_RNA) where: Base-Base interactions energy: -1017.902 where: short stacking energy: -461.797 Base-Backbone interact. energy: -3.999 local terms energy: -496.230487 where: bonds (distance) C4'-P energy: -87.790 bonds (distance) P-C4' energy: -100.091 flat angles C4'-P-C4' energy: -103.692 flat angles P-C4'-P energy: -69.980 tors. eta vs tors. theta energy: -134.677 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: 5 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1373.831928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.831928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.831928 (E_RNA) where: Base-Base interactions energy: -914.797 where: short stacking energy: -426.156 Base-Backbone interact. energy: -1.924 local terms energy: -457.110409 where: bonds (distance) C4'-P energy: -82.259 bonds (distance) P-C4' energy: -93.552 flat angles C4'-P-C4' energy: -95.265 flat angles P-C4'-P energy: -58.045 tors. eta vs tors. theta energy: -127.990 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: 2 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -1312.398062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.398062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.398062 (E_RNA) where: Base-Base interactions energy: -888.925 where: short stacking energy: -388.718 Base-Backbone interact. energy: -2.055 local terms energy: -421.417439 where: bonds (distance) C4'-P energy: -73.778 bonds (distance) P-C4' energy: -98.067 flat angles C4'-P-C4' energy: -94.162 flat angles P-C4'-P energy: -54.982 tors. eta vs tors. theta energy: -100.429 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: 7 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1155.558235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.558235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.558235 (E_RNA) where: Base-Base interactions energy: -748.924 where: short stacking energy: -335.193 Base-Backbone interact. energy: 1.206 local terms energy: -407.840575 where: bonds (distance) C4'-P energy: -80.934 bonds (distance) P-C4' energy: -82.116 flat angles C4'-P-C4' energy: -100.659 flat angles P-C4'-P energy: -74.533 tors. eta vs tors. theta energy: -69.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1150.426155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.426155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.426155 (E_RNA) where: Base-Base interactions energy: -724.034 where: short stacking energy: -352.399 Base-Backbone interact. energy: 0.484 local terms energy: -426.875869 where: bonds (distance) C4'-P energy: -90.254 bonds (distance) P-C4' energy: -82.424 flat angles C4'-P-C4' energy: -90.052 flat angles P-C4'-P energy: -65.942 tors. eta vs tors. theta energy: -98.203 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: 6, replica: 1 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -918.132861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.132861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.132861 (E_RNA) where: Base-Base interactions energy: -557.930 where: short stacking energy: -270.270 Base-Backbone interact. energy: 1.905 local terms energy: -362.107291 where: bonds (distance) C4'-P energy: -77.430 bonds (distance) P-C4' energy: -88.454 flat angles C4'-P-C4' energy: -80.179 flat angles P-C4'-P energy: -55.452 tors. eta vs tors. theta energy: -60.592 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: 6 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -864.445690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.445690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.445690 (E_RNA) where: Base-Base interactions energy: -522.588 where: short stacking energy: -228.810 Base-Backbone interact. energy: 0.204 local terms energy: -342.060879 where: bonds (distance) C4'-P energy: -88.333 bonds (distance) P-C4' energy: -85.642 flat angles C4'-P-C4' energy: -73.261 flat angles P-C4'-P energy: -55.621 tors. eta vs tors. theta energy: -39.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -684.852385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.852385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.852385 (E_RNA) where: Base-Base interactions energy: -362.897 where: short stacking energy: -188.368 Base-Backbone interact. energy: 0.700 local terms energy: -322.655190 where: bonds (distance) C4'-P energy: -77.019 bonds (distance) P-C4' energy: -96.867 flat angles C4'-P-C4' energy: -74.533 flat angles P-C4'-P energy: -51.546 tors. eta vs tors. theta energy: -22.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -507.991300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.991300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.991300 (E_RNA) where: Base-Base interactions energy: -238.376 where: short stacking energy: -145.296 Base-Backbone interact. energy: -0.636 local terms energy: -268.978838 where: bonds (distance) C4'-P energy: -66.953 bonds (distance) P-C4' energy: -96.165 flat angles C4'-P-C4' energy: -56.820 flat angles P-C4'-P energy: -34.657 tors. eta vs tors. theta energy: -14.383 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: 4 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -484.368977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.368977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.368977 (E_RNA) where: Base-Base interactions energy: -213.115 where: short stacking energy: -126.003 Base-Backbone interact. energy: 0.167 local terms energy: -271.420795 where: bonds (distance) C4'-P energy: -78.241 bonds (distance) P-C4' energy: -79.831 flat angles C4'-P-C4' energy: -73.985 flat angles P-C4'-P energy: -40.897 tors. eta vs tors. theta energy: 1.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1520.541063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.541063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.541063 (E_RNA) where: Base-Base interactions energy: -1021.295 where: short stacking energy: -463.511 Base-Backbone interact. energy: -2.392 local terms energy: -496.853922 where: bonds (distance) C4'-P energy: -84.953 bonds (distance) P-C4' energy: -109.993 flat angles C4'-P-C4' energy: -109.783 flat angles P-C4'-P energy: -69.621 tors. eta vs tors. theta energy: -122.504 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: 5 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1361.088430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.088430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.088430 (E_RNA) where: Base-Base interactions energy: -892.204 where: short stacking energy: -408.913 Base-Backbone interact. energy: -0.209 local terms energy: -468.675185 where: bonds (distance) C4'-P energy: -85.326 bonds (distance) P-C4' energy: -101.716 flat angles C4'-P-C4' energy: -100.245 flat angles P-C4'-P energy: -68.398 tors. eta vs tors. theta energy: -112.989 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: 358 Temperature: 1.000000 Total energy: -1315.995322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.995322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.995322 (E_RNA) where: Base-Base interactions energy: -847.548 where: short stacking energy: -391.226 Base-Backbone interact. energy: -1.692 local terms energy: -466.756129 where: bonds (distance) C4'-P energy: -96.222 bonds (distance) P-C4' energy: -94.201 flat angles C4'-P-C4' energy: -97.748 flat angles P-C4'-P energy: -66.672 tors. eta vs tors. theta energy: -111.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1150.745090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.745090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.745090 (E_RNA) where: Base-Base interactions energy: -750.569 where: short stacking energy: -352.760 Base-Backbone interact. energy: -1.316 local terms energy: -398.859515 where: bonds (distance) C4'-P energy: -79.601 bonds (distance) P-C4' energy: -84.825 flat angles C4'-P-C4' energy: -88.060 flat angles P-C4'-P energy: -65.520 tors. eta vs tors. theta energy: -80.853 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: 3 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -1177.609909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.609909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.609909 (E_RNA) where: Base-Base interactions energy: -733.304 where: short stacking energy: -364.350 Base-Backbone interact. energy: -1.453 local terms energy: -442.852949 where: bonds (distance) C4'-P energy: -85.250 bonds (distance) P-C4' energy: -101.989 flat angles C4'-P-C4' energy: -101.673 flat angles P-C4'-P energy: -46.344 tors. eta vs tors. theta energy: -107.597 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: 1 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -939.877833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.877833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.877833 (E_RNA) where: Base-Base interactions energy: -590.434 where: short stacking energy: -260.910 Base-Backbone interact. energy: 1.463 local terms energy: -350.906494 where: bonds (distance) C4'-P energy: -70.838 bonds (distance) P-C4' energy: -92.407 flat angles C4'-P-C4' energy: -87.659 flat angles P-C4'-P energy: -53.244 tors. eta vs tors. theta energy: -46.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -867.533545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.533545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.533545 (E_RNA) where: Base-Base interactions energy: -529.147 where: short stacking energy: -256.285 Base-Backbone interact. energy: -0.630 local terms energy: -337.756880 where: bonds (distance) C4'-P energy: -79.570 bonds (distance) P-C4' energy: -82.009 flat angles C4'-P-C4' energy: -81.063 flat angles P-C4'-P energy: -52.075 tors. eta vs tors. theta energy: -43.041 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: 358 Temperature: 1.250000 Total energy: -661.065418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.065418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.065418 (E_RNA) where: Base-Base interactions energy: -358.534 where: short stacking energy: -210.497 Base-Backbone interact. energy: -0.929 local terms energy: -301.602344 where: bonds (distance) C4'-P energy: -76.500 bonds (distance) P-C4' energy: -77.532 flat angles C4'-P-C4' energy: -72.466 flat angles P-C4'-P energy: -44.049 tors. eta vs tors. theta energy: -31.055 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: 9, replica: 4 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -541.989860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.989860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.989860 (E_RNA) where: Base-Base interactions energy: -236.426 where: short stacking energy: -154.626 Base-Backbone interact. energy: -0.385 local terms energy: -305.179300 where: bonds (distance) C4'-P energy: -80.739 bonds (distance) P-C4' energy: -79.437 flat angles C4'-P-C4' energy: -85.820 flat angles P-C4'-P energy: -49.658 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: 10, replica: 8 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -463.803725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.803725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.803725 (E_RNA) where: Base-Base interactions energy: -178.286 where: short stacking energy: -102.715 Base-Backbone interact. energy: -2.652 local terms energy: -282.865807 where: bonds (distance) C4'-P energy: -73.454 bonds (distance) P-C4' energy: -83.321 flat angles C4'-P-C4' energy: -81.274 flat angles P-C4'-P energy: -53.585 tors. eta vs tors. theta energy: 8.769 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: 9 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1503.138081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.138081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.138081 (E_RNA) where: Base-Base interactions energy: -1002.649 where: short stacking energy: -456.069 Base-Backbone interact. energy: -2.648 local terms energy: -497.840948 where: bonds (distance) C4'-P energy: -84.076 bonds (distance) P-C4' energy: -100.297 flat angles C4'-P-C4' energy: -110.499 flat angles P-C4'-P energy: -74.382 tors. eta vs tors. theta energy: -128.587 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: 5 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1333.406603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.406603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.406603 (E_RNA) where: Base-Base interactions energy: -871.359 where: short stacking energy: -407.871 Base-Backbone interact. energy: -0.798 local terms energy: -461.250348 where: bonds (distance) C4'-P energy: -81.260 bonds (distance) P-C4' energy: -91.818 flat angles C4'-P-C4' energy: -103.392 flat angles P-C4'-P energy: -73.227 tors. eta vs tors. theta energy: -111.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1307.410889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.410889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.410889 (E_RNA) where: Base-Base interactions energy: -852.001 where: short stacking energy: -381.592 Base-Backbone interact. energy: -1.974 local terms energy: -453.436507 where: bonds (distance) C4'-P energy: -94.413 bonds (distance) P-C4' energy: -93.303 flat angles C4'-P-C4' energy: -96.372 flat angles P-C4'-P energy: -63.041 tors. eta vs tors. theta energy: -106.307 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: 3 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1207.567405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.567405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.567405 (E_RNA) where: Base-Base interactions energy: -767.472 where: short stacking energy: -377.731 Base-Backbone interact. energy: -1.479 local terms energy: -438.616224 where: bonds (distance) C4'-P energy: -84.201 bonds (distance) P-C4' energy: -99.181 flat angles C4'-P-C4' energy: -93.214 flat angles P-C4'-P energy: -67.712 tors. eta vs tors. theta energy: -94.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1100.050625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.050625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.050625 (E_RNA) where: Base-Base interactions energy: -703.886 where: short stacking energy: -317.261 Base-Backbone interact. energy: 0.448 local terms energy: -396.611867 where: bonds (distance) C4'-P energy: -80.767 bonds (distance) P-C4' energy: -84.699 flat angles C4'-P-C4' energy: -90.588 flat angles P-C4'-P energy: -61.582 tors. eta vs tors. theta energy: -78.975 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: 1 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -940.631962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.631962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.631962 (E_RNA) where: Base-Base interactions energy: -564.367 where: short stacking energy: -276.555 Base-Backbone interact. energy: 3.124 local terms energy: -379.388266 where: bonds (distance) C4'-P energy: -83.242 bonds (distance) P-C4' energy: -81.012 flat angles C4'-P-C4' energy: -87.850 flat angles P-C4'-P energy: -52.131 tors. eta vs tors. theta energy: -75.154 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: 7, replica: 6 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -875.442705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.442705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.442705 (E_RNA) where: Base-Base interactions energy: -543.400 where: short stacking energy: -264.057 Base-Backbone interact. energy: -2.292 local terms energy: -329.750925 where: bonds (distance) C4'-P energy: -84.181 bonds (distance) P-C4' energy: -69.347 flat angles C4'-P-C4' energy: -74.947 flat angles P-C4'-P energy: -57.920 tors. eta vs tors. theta energy: -43.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -638.143568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.143568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.143568 (E_RNA) where: Base-Base interactions energy: -317.814 where: short stacking energy: -183.204 Base-Backbone interact. energy: -0.259 local terms energy: -320.070923 where: bonds (distance) C4'-P energy: -85.579 bonds (distance) P-C4' energy: -90.038 flat angles C4'-P-C4' energy: -78.122 flat angles P-C4'-P energy: -41.966 tors. eta vs tors. theta energy: -24.367 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: 4 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -553.740222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.740222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.740222 (E_RNA) where: Base-Base interactions energy: -282.747 where: short stacking energy: -153.135 Base-Backbone interact. energy: 6.183 local terms energy: -277.176472 where: bonds (distance) C4'-P energy: -83.923 bonds (distance) P-C4' energy: -89.613 flat angles C4'-P-C4' energy: -66.757 flat angles P-C4'-P energy: -38.176 tors. eta vs tors. theta energy: 1.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -471.334309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.334309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.334309 (E_RNA) where: Base-Base interactions energy: -235.135 where: short stacking energy: -137.602 Base-Backbone interact. energy: -1.038 local terms energy: -235.161153 where: bonds (distance) C4'-P energy: -87.198 bonds (distance) P-C4' energy: -61.483 flat angles C4'-P-C4' energy: -53.309 flat angles P-C4'-P energy: -45.766 tors. eta vs tors. theta energy: 12.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1556.465176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.465176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.465176 (E_RNA) where: Base-Base interactions energy: -1050.901 where: short stacking energy: -470.684 Base-Backbone interact. energy: 0.005 local terms energy: -505.569134 where: bonds (distance) C4'-P energy: -89.988 bonds (distance) P-C4' energy: -101.049 flat angles C4'-P-C4' energy: -107.139 flat angles P-C4'-P energy: -68.017 tors. eta vs tors. theta energy: -139.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1353.835281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.835281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.835281 (E_RNA) where: Base-Base interactions energy: -865.456 where: short stacking energy: -420.077 Base-Backbone interact. energy: -1.771 local terms energy: -486.608428 where: bonds (distance) C4'-P energy: -93.861 bonds (distance) P-C4' energy: -83.479 flat angles C4'-P-C4' energy: -108.792 flat angles P-C4'-P energy: -73.903 tors. eta vs tors. theta energy: -126.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1306.755483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.755483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.755483 (E_RNA) where: Base-Base interactions energy: -846.447 where: short stacking energy: -387.031 Base-Backbone interact. energy: 0.914 local terms energy: -461.222486 where: bonds (distance) C4'-P energy: -81.866 bonds (distance) P-C4' energy: -105.933 flat angles C4'-P-C4' energy: -94.694 flat angles P-C4'-P energy: -67.021 tors. eta vs tors. theta energy: -111.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1182.333944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.333944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.333944 (E_RNA) where: Base-Base interactions energy: -757.660 where: short stacking energy: -389.389 Base-Backbone interact. energy: 0.647 local terms energy: -425.321363 where: bonds (distance) C4'-P energy: -74.187 bonds (distance) P-C4' energy: -92.976 flat angles C4'-P-C4' energy: -95.941 flat angles P-C4'-P energy: -71.092 tors. eta vs tors. theta energy: -91.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -1099.043513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.043513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.043513 (E_RNA) where: Base-Base interactions energy: -699.907 where: short stacking energy: -341.246 Base-Backbone interact. energy: 2.036 local terms energy: -401.171981 where: bonds (distance) C4'-P energy: -90.239 bonds (distance) P-C4' energy: -88.801 flat angles C4'-P-C4' energy: -94.247 flat angles P-C4'-P energy: -47.434 tors. eta vs tors. theta energy: -80.451 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: 1 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -932.809061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.809061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.809061 (E_RNA) where: Base-Base interactions energy: -578.700 where: short stacking energy: -270.455 Base-Backbone interact. energy: 1.190 local terms energy: -355.299409 where: bonds (distance) C4'-P energy: -87.713 bonds (distance) P-C4' energy: -76.845 flat angles C4'-P-C4' energy: -103.484 flat angles P-C4'-P energy: -43.687 tors. eta vs tors. theta energy: -43.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -879.995097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.995097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.995097 (E_RNA) where: Base-Base interactions energy: -521.317 where: short stacking energy: -270.812 Base-Backbone interact. energy: -1.647 local terms energy: -357.030359 where: bonds (distance) C4'-P energy: -82.625 bonds (distance) P-C4' energy: -84.931 flat angles C4'-P-C4' energy: -75.839 flat angles P-C4'-P energy: -55.452 tors. eta vs tors. theta energy: -58.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -679.617609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.617609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.617609 (E_RNA) where: Base-Base interactions energy: -348.639 where: short stacking energy: -198.877 Base-Backbone interact. energy: 2.360 local terms energy: -333.337961 where: bonds (distance) C4'-P energy: -80.743 bonds (distance) P-C4' energy: -92.539 flat angles C4'-P-C4' energy: -86.399 flat angles P-C4'-P energy: -41.059 tors. eta vs tors. theta energy: -32.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -559.316902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.316902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.316902 (E_RNA) where: Base-Base interactions energy: -285.300 where: short stacking energy: -152.960 Base-Backbone interact. energy: 1.644 local terms energy: -275.661280 where: bonds (distance) C4'-P energy: -78.363 bonds (distance) P-C4' energy: -68.561 flat angles C4'-P-C4' energy: -78.646 flat angles P-C4'-P energy: -32.856 tors. eta vs tors. theta energy: -17.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -483.003554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.003554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.003554 (E_RNA) where: Base-Base interactions energy: -212.212 where: short stacking energy: -127.916 Base-Backbone interact. energy: -1.252 local terms energy: -269.539288 where: bonds (distance) C4'-P energy: -59.453 bonds (distance) P-C4' energy: -76.453 flat angles C4'-P-C4' energy: -83.505 flat angles P-C4'-P energy: -51.568 tors. eta vs tors. theta energy: 1.440 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: 9 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1523.072124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.072124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.072124 (E_RNA) where: Base-Base interactions energy: -1000.635 where: short stacking energy: -458.087 Base-Backbone interact. energy: -5.178 local terms energy: -517.258973 where: bonds (distance) C4'-P energy: -92.920 bonds (distance) P-C4' energy: -111.014 flat angles C4'-P-C4' energy: -107.456 flat angles P-C4'-P energy: -70.637 tors. eta vs tors. theta energy: -135.233 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: 2, replica: 5 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1358.326541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.326541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.326541 (E_RNA) where: Base-Base interactions energy: -883.111 where: short stacking energy: -430.311 Base-Backbone interact. energy: -1.196 local terms energy: -474.019549 where: bonds (distance) C4'-P energy: -97.411 bonds (distance) P-C4' energy: -90.013 flat angles C4'-P-C4' energy: -99.411 flat angles P-C4'-P energy: -57.348 tors. eta vs tors. theta energy: -129.837 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: 2 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1334.406549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.406549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.406549 (E_RNA) where: Base-Base interactions energy: -881.496 where: short stacking energy: -388.261 Base-Backbone interact. energy: -1.322 local terms energy: -451.588264 where: bonds (distance) C4'-P energy: -89.652 bonds (distance) P-C4' energy: -86.306 flat angles C4'-P-C4' energy: -99.655 flat angles P-C4'-P energy: -61.231 tors. eta vs tors. theta energy: -114.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1161.214813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.214813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.214813 (E_RNA) where: Base-Base interactions energy: -752.081 where: short stacking energy: -374.844 Base-Backbone interact. energy: -1.879 local terms energy: -407.254152 where: bonds (distance) C4'-P energy: -74.784 bonds (distance) P-C4' energy: -88.745 flat angles C4'-P-C4' energy: -98.985 flat angles P-C4'-P energy: -45.766 tors. eta vs tors. theta energy: -98.975 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: 7 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1113.596762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.596762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.596762 (E_RNA) where: Base-Base interactions energy: -716.201 where: short stacking energy: -339.179 Base-Backbone interact. energy: 1.907 local terms energy: -399.302740 where: bonds (distance) C4'-P energy: -73.822 bonds (distance) P-C4' energy: -83.922 flat angles C4'-P-C4' energy: -92.260 flat angles P-C4'-P energy: -57.369 tors. eta vs tors. theta energy: -91.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -872.191809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.191809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.191809 (E_RNA) where: Base-Base interactions energy: -523.976 where: short stacking energy: -268.130 Base-Backbone interact. energy: 0.635 local terms energy: -348.850554 where: bonds (distance) C4'-P energy: -90.696 bonds (distance) P-C4' energy: -74.981 flat angles C4'-P-C4' energy: -93.988 flat angles P-C4'-P energy: -54.299 tors. eta vs tors. theta energy: -34.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -819.688206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.688206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.688206 (E_RNA) where: Base-Base interactions energy: -471.478 where: short stacking energy: -227.947 Base-Backbone interact. energy: -0.958 local terms energy: -347.251762 where: bonds (distance) C4'-P energy: -72.908 bonds (distance) P-C4' energy: -98.626 flat angles C4'-P-C4' energy: -91.337 flat angles P-C4'-P energy: -48.044 tors. eta vs tors. theta energy: -36.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -702.406305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.406305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.406305 (E_RNA) where: Base-Base interactions energy: -360.963 where: short stacking energy: -189.487 Base-Backbone interact. energy: -1.230 local terms energy: -340.213325 where: bonds (distance) C4'-P energy: -80.707 bonds (distance) P-C4' energy: -92.685 flat angles C4'-P-C4' energy: -81.181 flat angles P-C4'-P energy: -59.631 tors. eta vs tors. theta energy: -26.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -538.644443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.644443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.644443 (E_RNA) where: Base-Base interactions energy: -244.562 where: short stacking energy: -128.313 Base-Backbone interact. energy: -1.300 local terms energy: -292.782904 where: bonds (distance) C4'-P energy: -83.428 bonds (distance) P-C4' energy: -76.240 flat angles C4'-P-C4' energy: -76.687 flat angles P-C4'-P energy: -48.740 tors. eta vs tors. theta energy: -7.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -475.461758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.461758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.461758 (E_RNA) where: Base-Base interactions energy: -230.792 where: short stacking energy: -130.934 Base-Backbone interact. energy: -1.476 local terms energy: -243.194395 where: bonds (distance) C4'-P energy: -70.146 bonds (distance) P-C4' energy: -71.534 flat angles C4'-P-C4' energy: -71.537 flat angles P-C4'-P energy: -37.271 tors. eta vs tors. theta energy: 7.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1519.230877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.230877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.230877 (E_RNA) where: Base-Base interactions energy: -1045.825 where: short stacking energy: -458.451 Base-Backbone interact. energy: 2.244 local terms energy: -475.649326 where: bonds (distance) C4'-P energy: -86.867 bonds (distance) P-C4' energy: -97.837 flat angles C4'-P-C4' energy: -104.173 flat angles P-C4'-P energy: -54.542 tors. eta vs tors. theta energy: -132.230 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: 5 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1348.312978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.312978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.312978 (E_RNA) where: Base-Base interactions energy: -851.452 where: short stacking energy: -399.679 Base-Backbone interact. energy: 1.471 local terms energy: -498.331767 where: bonds (distance) C4'-P energy: -97.194 bonds (distance) P-C4' energy: -103.763 flat angles C4'-P-C4' energy: -106.068 flat angles P-C4'-P energy: -85.611 tors. eta vs tors. theta energy: -105.696 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: 2 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1307.914799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.914799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.914799 (E_RNA) where: Base-Base interactions energy: -865.792 where: short stacking energy: -379.899 Base-Backbone interact. energy: -1.389 local terms energy: -440.733826 where: bonds (distance) C4'-P energy: -86.614 bonds (distance) P-C4' energy: -98.857 flat angles C4'-P-C4' energy: -105.690 flat angles P-C4'-P energy: -51.286 tors. eta vs tors. theta energy: -98.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1186.851159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.851159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.851159 (E_RNA) where: Base-Base interactions energy: -751.079 where: short stacking energy: -349.855 Base-Backbone interact. energy: 2.431 local terms energy: -438.202490 where: bonds (distance) C4'-P energy: -95.946 bonds (distance) P-C4' energy: -94.836 flat angles C4'-P-C4' energy: -90.066 flat angles P-C4'-P energy: -70.074 tors. eta vs tors. theta energy: -87.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -1141.220143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.220143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.220143 (E_RNA) where: Base-Base interactions energy: -743.173 where: short stacking energy: -336.166 Base-Backbone interact. energy: -1.240 local terms energy: -396.806918 where: bonds (distance) C4'-P energy: -79.014 bonds (distance) P-C4' energy: -92.110 flat angles C4'-P-C4' energy: -88.708 flat angles P-C4'-P energy: -65.912 tors. eta vs tors. theta energy: -71.063 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: 6, replica: 1 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -877.688739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.688739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.688739 (E_RNA) where: Base-Base interactions energy: -498.087 where: short stacking energy: -260.595 Base-Backbone interact. energy: 1.780 local terms energy: -381.380855 where: bonds (distance) C4'-P energy: -90.052 bonds (distance) P-C4' energy: -86.405 flat angles C4'-P-C4' energy: -104.730 flat angles P-C4'-P energy: -47.076 tors. eta vs tors. theta energy: -53.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -840.784859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.784859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.784859 (E_RNA) where: Base-Base interactions energy: -498.302 where: short stacking energy: -240.192 Base-Backbone interact. energy: -1.522 local terms energy: -340.960654 where: bonds (distance) C4'-P energy: -81.367 bonds (distance) P-C4' energy: -91.531 flat angles C4'-P-C4' energy: -84.051 flat angles P-C4'-P energy: -45.032 tors. eta vs tors. theta energy: -38.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -653.309121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.309121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.309121 (E_RNA) where: Base-Base interactions energy: -370.076 where: short stacking energy: -174.208 Base-Backbone interact. energy: 1.376 local terms energy: -284.608535 where: bonds (distance) C4'-P energy: -79.559 bonds (distance) P-C4' energy: -72.633 flat angles C4'-P-C4' energy: -61.626 flat angles P-C4'-P energy: -48.646 tors. eta vs tors. theta energy: -22.145 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: 362 Temperature: 1.300000 Total energy: -534.780263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.780263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.780263 (E_RNA) where: Base-Base interactions energy: -258.932 where: short stacking energy: -159.813 Base-Backbone interact. energy: 0.943 local terms energy: -276.790585 where: bonds (distance) C4'-P energy: -78.999 bonds (distance) P-C4' energy: -79.965 flat angles C4'-P-C4' energy: -64.891 flat angles P-C4'-P energy: -40.483 tors. eta vs tors. theta energy: -12.452 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: 10, replica: 8 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -487.440855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.440855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.440855 (E_RNA) where: Base-Base interactions energy: -234.584 where: short stacking energy: -149.870 Base-Backbone interact. energy: -0.316 local terms energy: -252.540927 where: bonds (distance) C4'-P energy: -71.049 bonds (distance) P-C4' energy: -84.789 flat angles C4'-P-C4' energy: -68.006 flat angles P-C4'-P energy: -21.568 tors. eta vs tors. theta energy: -7.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1525.992512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.992512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.992512 (E_RNA) where: Base-Base interactions energy: -1030.192 where: short stacking energy: -472.358 Base-Backbone interact. energy: 0.303 local terms energy: -496.103953 where: bonds (distance) C4'-P energy: -88.966 bonds (distance) P-C4' energy: -97.699 flat angles C4'-P-C4' energy: -105.480 flat angles P-C4'-P energy: -70.352 tors. eta vs tors. theta energy: -133.606 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: 5 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1397.536175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.536175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.536175 (E_RNA) where: Base-Base interactions energy: -944.821 where: short stacking energy: -441.057 Base-Backbone interact. energy: -0.467 local terms energy: -452.248012 where: bonds (distance) C4'-P energy: -72.873 bonds (distance) P-C4' energy: -94.944 flat angles C4'-P-C4' energy: -93.560 flat angles P-C4'-P energy: -68.848 tors. eta vs tors. theta energy: -122.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1295.078127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.078127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.078127 (E_RNA) where: Base-Base interactions energy: -859.250 where: short stacking energy: -394.500 Base-Backbone interact. energy: -1.079 local terms energy: -434.749439 where: bonds (distance) C4'-P energy: -81.668 bonds (distance) P-C4' energy: -80.715 flat angles C4'-P-C4' energy: -93.609 flat angles P-C4'-P energy: -66.886 tors. eta vs tors. theta energy: -111.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1180.707059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.707059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.707059 (E_RNA) where: Base-Base interactions energy: -777.684 where: short stacking energy: -393.235 Base-Backbone interact. energy: 1.162 local terms energy: -404.185822 where: bonds (distance) C4'-P energy: -74.562 bonds (distance) P-C4' energy: -74.480 flat angles C4'-P-C4' energy: -106.996 flat angles P-C4'-P energy: -56.990 tors. eta vs tors. theta energy: -91.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1128.492223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.492223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.492223 (E_RNA) where: Base-Base interactions energy: -713.074 where: short stacking energy: -309.860 Base-Backbone interact. energy: 0.238 local terms energy: -415.656361 where: bonds (distance) C4'-P energy: -82.078 bonds (distance) P-C4' energy: -92.766 flat angles C4'-P-C4' energy: -101.957 flat angles P-C4'-P energy: -59.923 tors. eta vs tors. theta energy: -78.932 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: 1 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -882.994130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.994130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.994130 (E_RNA) where: Base-Base interactions energy: -517.958 where: short stacking energy: -263.678 Base-Backbone interact. energy: 0.608 local terms energy: -365.644380 where: bonds (distance) C4'-P energy: -89.345 bonds (distance) P-C4' energy: -95.590 flat angles C4'-P-C4' energy: -79.374 flat angles P-C4'-P energy: -52.410 tors. eta vs tors. theta energy: -48.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -837.428144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.428144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.428144 (E_RNA) where: Base-Base interactions energy: -488.088 where: short stacking energy: -243.060 Base-Backbone interact. energy: 1.236 local terms energy: -350.576784 where: bonds (distance) C4'-P energy: -85.405 bonds (distance) P-C4' energy: -83.935 flat angles C4'-P-C4' energy: -67.738 flat angles P-C4'-P energy: -60.920 tors. eta vs tors. theta energy: -52.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -702.818365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.818365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.818365 (E_RNA) where: Base-Base interactions energy: -368.122 where: short stacking energy: -202.587 Base-Backbone interact. energy: -0.801 local terms energy: -333.895907 where: bonds (distance) C4'-P energy: -83.416 bonds (distance) P-C4' energy: -88.475 flat angles C4'-P-C4' energy: -85.767 flat angles P-C4'-P energy: -51.146 tors. eta vs tors. theta energy: -25.093 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: 363 Temperature: 1.300000 Total energy: -528.101329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.101329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.101329 (E_RNA) where: Base-Base interactions energy: -267.648 where: short stacking energy: -171.954 Base-Backbone interact. energy: -0.686 local terms energy: -259.767476 where: bonds (distance) C4'-P energy: -71.435 bonds (distance) P-C4' energy: -72.071 flat angles C4'-P-C4' energy: -65.892 flat angles P-C4'-P energy: -36.593 tors. eta vs tors. theta energy: -13.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -490.495700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.495700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.495700 (E_RNA) where: Base-Base interactions energy: -262.643 where: short stacking energy: -153.353 Base-Backbone interact. energy: 2.091 local terms energy: -229.943504 where: bonds (distance) C4'-P energy: -61.717 bonds (distance) P-C4' energy: -72.044 flat angles C4'-P-C4' energy: -45.289 flat angles P-C4'-P energy: -52.919 tors. eta vs tors. theta energy: 2.025 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: 9 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1477.005943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.005943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.005943 (E_RNA) where: Base-Base interactions energy: -992.365 where: short stacking energy: -441.365 Base-Backbone interact. energy: -3.081 local terms energy: -481.560032 where: bonds (distance) C4'-P energy: -95.829 bonds (distance) P-C4' energy: -95.146 flat angles C4'-P-C4' energy: -101.733 flat angles P-C4'-P energy: -61.129 tors. eta vs tors. theta energy: -127.723 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: 2, replica: 5 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1394.669705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.669705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.669705 (E_RNA) where: Base-Base interactions energy: -907.747 where: short stacking energy: -424.371 Base-Backbone interact. energy: -3.666 local terms energy: -483.256901 where: bonds (distance) C4'-P energy: -92.333 bonds (distance) P-C4' energy: -96.286 flat angles C4'-P-C4' energy: -98.162 flat angles P-C4'-P energy: -69.010 tors. eta vs tors. theta energy: -127.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1334.848003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.848003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.848003 (E_RNA) where: Base-Base interactions energy: -873.204 where: short stacking energy: -412.192 Base-Backbone interact. energy: 0.183 local terms energy: -461.826536 where: bonds (distance) C4'-P energy: -79.512 bonds (distance) P-C4' energy: -101.720 flat angles C4'-P-C4' energy: -101.942 flat angles P-C4'-P energy: -63.586 tors. eta vs tors. theta energy: -115.066 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: 3 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1226.522400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.522400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.522400 (E_RNA) where: Base-Base interactions energy: -773.702 where: short stacking energy: -393.924 Base-Backbone interact. energy: -0.845 local terms energy: -451.975525 where: bonds (distance) C4'-P energy: -85.856 bonds (distance) P-C4' energy: -87.684 flat angles C4'-P-C4' energy: -112.059 flat angles P-C4'-P energy: -71.847 tors. eta vs tors. theta energy: -94.529 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: 7 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -1118.780826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.780826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.780826 (E_RNA) where: Base-Base interactions energy: -716.169 where: short stacking energy: -316.957 Base-Backbone interact. energy: -1.929 local terms energy: -400.682934 where: bonds (distance) C4'-P energy: -88.478 bonds (distance) P-C4' energy: -84.476 flat angles C4'-P-C4' energy: -94.871 flat angles P-C4'-P energy: -52.595 tors. eta vs tors. theta energy: -80.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -947.937234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.937234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.937234 (E_RNA) where: Base-Base interactions energy: -563.749 where: short stacking energy: -272.295 Base-Backbone interact. energy: -3.596 local terms energy: -380.592457 where: bonds (distance) C4'-P energy: -98.074 bonds (distance) P-C4' energy: -83.670 flat angles C4'-P-C4' energy: -87.555 flat angles P-C4'-P energy: -56.136 tors. eta vs tors. theta energy: -55.156 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: 6 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -820.733001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.733001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.733001 (E_RNA) where: Base-Base interactions energy: -489.074 where: short stacking energy: -236.782 Base-Backbone interact. energy: -1.144 local terms energy: -330.514214 where: bonds (distance) C4'-P energy: -78.613 bonds (distance) P-C4' energy: -83.354 flat angles C4'-P-C4' energy: -87.015 flat angles P-C4'-P energy: -47.389 tors. eta vs tors. theta energy: -34.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -713.982427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.982427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.982427 (E_RNA) where: Base-Base interactions energy: -389.496 where: short stacking energy: -208.420 Base-Backbone interact. energy: -2.378 local terms energy: -322.108517 where: bonds (distance) C4'-P energy: -91.727 bonds (distance) P-C4' energy: -82.737 flat angles C4'-P-C4' energy: -72.126 flat angles P-C4'-P energy: -45.812 tors. eta vs tors. theta energy: -29.707 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: 4 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -559.433073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.433073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.433073 (E_RNA) where: Base-Base interactions energy: -281.822 where: short stacking energy: -185.579 Base-Backbone interact. energy: -0.119 local terms energy: -277.491289 where: bonds (distance) C4'-P energy: -60.688 bonds (distance) P-C4' energy: -85.702 flat angles C4'-P-C4' energy: -70.349 flat angles P-C4'-P energy: -42.543 tors. eta vs tors. theta energy: -18.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -508.421747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.421747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.421747 (E_RNA) where: Base-Base interactions energy: -237.595 where: short stacking energy: -150.687 Base-Backbone interact. energy: -0.761 local terms energy: -270.065726 where: bonds (distance) C4'-P energy: -70.585 bonds (distance) P-C4' energy: -79.385 flat angles C4'-P-C4' energy: -67.834 flat angles P-C4'-P energy: -55.202 tors. eta vs tors. theta energy: 2.941 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: 9 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1475.410646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.410646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.410646 (E_RNA) where: Base-Base interactions energy: -991.172 where: short stacking energy: -472.613 Base-Backbone interact. energy: -1.904 local terms energy: -482.335432 where: bonds (distance) C4'-P energy: -81.006 bonds (distance) P-C4' energy: -89.605 flat angles C4'-P-C4' energy: -110.243 flat angles P-C4'-P energy: -71.249 tors. eta vs tors. theta energy: -130.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1401.401978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.401978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.401978 (E_RNA) where: Base-Base interactions energy: -913.695 where: short stacking energy: -432.058 Base-Backbone interact. energy: 0.582 local terms energy: -488.288974 where: bonds (distance) C4'-P energy: -91.344 bonds (distance) P-C4' energy: -92.707 flat angles C4'-P-C4' energy: -99.878 flat angles P-C4'-P energy: -78.520 tors. eta vs tors. theta energy: -125.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1324.185615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.185615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.185615 (E_RNA) where: Base-Base interactions energy: -857.584 where: short stacking energy: -388.916 Base-Backbone interact. energy: -0.561 local terms energy: -466.040716 where: bonds (distance) C4'-P energy: -93.548 bonds (distance) P-C4' energy: -100.626 flat angles C4'-P-C4' energy: -100.090 flat angles P-C4'-P energy: -54.306 tors. eta vs tors. theta energy: -117.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1164.055460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.055460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.055460 (E_RNA) where: Base-Base interactions energy: -744.614 where: short stacking energy: -335.149 Base-Backbone interact. energy: 0.173 local terms energy: -419.614009 where: bonds (distance) C4'-P energy: -82.405 bonds (distance) P-C4' energy: -96.290 flat angles C4'-P-C4' energy: -89.293 flat angles P-C4'-P energy: -65.077 tors. eta vs tors. theta energy: -86.549 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: 7 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1151.489337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.489337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.489337 (E_RNA) where: Base-Base interactions energy: -739.828 where: short stacking energy: -366.742 Base-Backbone interact. energy: 2.172 local terms energy: -413.833880 where: bonds (distance) C4'-P energy: -94.454 bonds (distance) P-C4' energy: -86.103 flat angles C4'-P-C4' energy: -84.667 flat angles P-C4'-P energy: -61.046 tors. eta vs tors. theta energy: -87.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -881.014294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.014294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.014294 (E_RNA) where: Base-Base interactions energy: -541.689 where: short stacking energy: -242.445 Base-Backbone interact. energy: -2.627 local terms energy: -336.698290 where: bonds (distance) C4'-P energy: -82.226 bonds (distance) P-C4' energy: -84.442 flat angles C4'-P-C4' energy: -71.125 flat angles P-C4'-P energy: -38.835 tors. eta vs tors. theta energy: -60.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -865.170543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.170543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.170543 (E_RNA) where: Base-Base interactions energy: -503.982 where: short stacking energy: -250.089 Base-Backbone interact. energy: 1.642 local terms energy: -362.830709 where: bonds (distance) C4'-P energy: -83.272 bonds (distance) P-C4' energy: -92.286 flat angles C4'-P-C4' energy: -92.346 flat angles P-C4'-P energy: -45.177 tors. eta vs tors. theta energy: -49.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -676.545699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.545699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.545699 (E_RNA) where: Base-Base interactions energy: -372.851 where: short stacking energy: -192.555 Base-Backbone interact. energy: -1.840 local terms energy: -301.855362 where: bonds (distance) C4'-P energy: -87.506 bonds (distance) P-C4' energy: -89.818 flat angles C4'-P-C4' energy: -65.147 flat angles P-C4'-P energy: -47.630 tors. eta vs tors. theta energy: -11.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -558.607698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.607698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.607698 (E_RNA) where: Base-Base interactions energy: -275.365 where: short stacking energy: -158.561 Base-Backbone interact. energy: 2.737 local terms energy: -285.979124 where: bonds (distance) C4'-P energy: -79.284 bonds (distance) P-C4' energy: -75.913 flat angles C4'-P-C4' energy: -68.984 flat angles P-C4'-P energy: -48.876 tors. eta vs tors. theta energy: -12.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -469.827368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.827368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.827368 (E_RNA) where: Base-Base interactions energy: -224.866 where: short stacking energy: -130.328 Base-Backbone interact. energy: -0.089 local terms energy: -244.873027 where: bonds (distance) C4'-P energy: -78.748 bonds (distance) P-C4' energy: -71.342 flat angles C4'-P-C4' energy: -69.743 flat angles P-C4'-P energy: -34.541 tors. eta vs tors. theta energy: 9.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1519.187477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.187477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.187477 (E_RNA) where: Base-Base interactions energy: -1030.048 where: short stacking energy: -460.959 Base-Backbone interact. energy: 1.694 local terms energy: -490.833828 where: bonds (distance) C4'-P energy: -93.736 bonds (distance) P-C4' energy: -102.841 flat angles C4'-P-C4' energy: -101.005 flat angles P-C4'-P energy: -67.589 tors. eta vs tors. theta energy: -125.662 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: 5 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1407.194524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.194524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.194524 (E_RNA) where: Base-Base interactions energy: -918.869 where: short stacking energy: -452.811 Base-Backbone interact. energy: -1.068 local terms energy: -487.258410 where: bonds (distance) C4'-P energy: -95.839 bonds (distance) P-C4' energy: -87.218 flat angles C4'-P-C4' energy: -107.562 flat angles P-C4'-P energy: -67.408 tors. eta vs tors. theta energy: -129.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1317.763326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.763326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.763326 (E_RNA) where: Base-Base interactions energy: -859.161 where: short stacking energy: -387.292 Base-Backbone interact. energy: 1.193 local terms energy: -459.795179 where: bonds (distance) C4'-P energy: -89.340 bonds (distance) P-C4' energy: -98.261 flat angles C4'-P-C4' energy: -96.593 flat angles P-C4'-P energy: -69.633 tors. eta vs tors. theta energy: -105.968 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: 3 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1148.470495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.470495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.470495 (E_RNA) where: Base-Base interactions energy: -735.683 where: short stacking energy: -375.455 Base-Backbone interact. energy: 0.155 local terms energy: -412.942536 where: bonds (distance) C4'-P energy: -99.563 bonds (distance) P-C4' energy: -74.101 flat angles C4'-P-C4' energy: -80.351 flat angles P-C4'-P energy: -66.001 tors. eta vs tors. theta energy: -92.927 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: 7 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -1148.699784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.699784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.699784 (E_RNA) where: Base-Base interactions energy: -741.740 where: short stacking energy: -358.647 Base-Backbone interact. energy: -1.385 local terms energy: -405.574797 where: bonds (distance) C4'-P energy: -74.077 bonds (distance) P-C4' energy: -80.417 flat angles C4'-P-C4' energy: -95.957 flat angles P-C4'-P energy: -72.940 tors. eta vs tors. theta energy: -82.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -908.837140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.837140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.837140 (E_RNA) where: Base-Base interactions energy: -548.010 where: short stacking energy: -289.284 Base-Backbone interact. energy: -0.919 local terms energy: -359.908617 where: bonds (distance) C4'-P energy: -83.372 bonds (distance) P-C4' energy: -103.514 flat angles C4'-P-C4' energy: -65.769 flat angles P-C4'-P energy: -43.717 tors. eta vs tors. theta energy: -63.537 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: 366 Temperature: 1.200000 Total energy: -825.669466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.669466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.669466 (E_RNA) where: Base-Base interactions energy: -482.939 where: short stacking energy: -237.333 Base-Backbone interact. energy: 0.089 local terms energy: -342.820219 where: bonds (distance) C4'-P energy: -73.914 bonds (distance) P-C4' energy: -104.207 flat angles C4'-P-C4' energy: -85.881 flat angles P-C4'-P energy: -34.532 tors. eta vs tors. theta energy: -44.287 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: 366 Temperature: 1.250000 Total energy: -696.358318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.358318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.358318 (E_RNA) where: Base-Base interactions energy: -375.138 where: short stacking energy: -183.702 Base-Backbone interact. energy: -1.889 local terms energy: -319.330493 where: bonds (distance) C4'-P energy: -71.897 bonds (distance) P-C4' energy: -77.739 flat angles C4'-P-C4' energy: -89.249 flat angles P-C4'-P energy: -55.042 tors. eta vs tors. theta energy: -25.403 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: 8 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -530.176987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.176987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.176987 (E_RNA) where: Base-Base interactions energy: -253.490 where: short stacking energy: -151.884 Base-Backbone interact. energy: 1.967 local terms energy: -278.654754 where: bonds (distance) C4'-P energy: -71.860 bonds (distance) P-C4' energy: -98.089 flat angles C4'-P-C4' energy: -74.371 flat angles P-C4'-P energy: -41.859 tors. eta vs tors. theta energy: 7.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -494.510923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.510923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.510923 (E_RNA) where: Base-Base interactions energy: -242.814 where: short stacking energy: -145.543 Base-Backbone interact. energy: -1.080 local terms energy: -250.616656 where: bonds (distance) C4'-P energy: -75.746 bonds (distance) P-C4' energy: -92.459 flat angles C4'-P-C4' energy: -49.222 flat angles P-C4'-P energy: -45.311 tors. eta vs tors. theta energy: 12.123 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: 9 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1500.292967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.292967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.292967 (E_RNA) where: Base-Base interactions energy: -1004.339 where: short stacking energy: -450.463 Base-Backbone interact. energy: -3.357 local terms energy: -492.596877 where: bonds (distance) C4'-P energy: -95.894 bonds (distance) P-C4' energy: -94.179 flat angles C4'-P-C4' energy: -113.093 flat angles P-C4'-P energy: -59.813 tors. eta vs tors. theta energy: -129.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1418.205286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.205286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.205286 (E_RNA) where: Base-Base interactions energy: -941.731 where: short stacking energy: -447.395 Base-Backbone interact. energy: 0.930 local terms energy: -477.404364 where: bonds (distance) C4'-P energy: -83.409 bonds (distance) P-C4' energy: -91.762 flat angles C4'-P-C4' energy: -106.263 flat angles P-C4'-P energy: -68.179 tors. eta vs tors. theta energy: -127.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1325.249508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.249508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.249508 (E_RNA) where: Base-Base interactions energy: -869.263 where: short stacking energy: -395.748 Base-Backbone interact. energy: 2.162 local terms energy: -458.147931 where: bonds (distance) C4'-P energy: -95.415 bonds (distance) P-C4' energy: -85.665 flat angles C4'-P-C4' energy: -92.280 flat angles P-C4'-P energy: -75.952 tors. eta vs tors. theta energy: -108.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1172.868004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.868004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.868004 (E_RNA) where: Base-Base interactions energy: -728.841 where: short stacking energy: -332.254 Base-Backbone interact. energy: -0.715 local terms energy: -443.312060 where: bonds (distance) C4'-P energy: -104.312 bonds (distance) P-C4' energy: -92.958 flat angles C4'-P-C4' energy: -99.292 flat angles P-C4'-P energy: -54.691 tors. eta vs tors. theta energy: -92.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1138.173418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.173418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.173418 (E_RNA) where: Base-Base interactions energy: -720.441 where: short stacking energy: -349.979 Base-Backbone interact. energy: -1.830 local terms energy: -415.902177 where: bonds (distance) C4'-P energy: -84.891 bonds (distance) P-C4' energy: -90.915 flat angles C4'-P-C4' energy: -84.793 flat angles P-C4'-P energy: -69.442 tors. eta vs tors. theta energy: -85.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -923.149185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.149185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.149185 (E_RNA) where: Base-Base interactions energy: -539.814 where: short stacking energy: -271.763 Base-Backbone interact. energy: 2.292 local terms energy: -385.626831 where: bonds (distance) C4'-P energy: -92.225 bonds (distance) P-C4' energy: -84.869 flat angles C4'-P-C4' energy: -91.604 flat angles P-C4'-P energy: -59.854 tors. eta vs tors. theta energy: -57.076 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: 1 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -852.185434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.185434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.185434 (E_RNA) where: Base-Base interactions energy: -495.265 where: short stacking energy: -244.472 Base-Backbone interact. energy: 0.814 local terms energy: -357.733981 where: bonds (distance) C4'-P energy: -89.300 bonds (distance) P-C4' energy: -80.372 flat angles C4'-P-C4' energy: -91.722 flat angles P-C4'-P energy: -44.031 tors. eta vs tors. theta energy: -52.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -730.626032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.626032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.626032 (E_RNA) where: Base-Base interactions energy: -409.136 where: short stacking energy: -227.293 Base-Backbone interact. energy: -3.237 local terms energy: -318.252447 where: bonds (distance) C4'-P energy: -74.369 bonds (distance) P-C4' energy: -78.792 flat angles C4'-P-C4' energy: -78.586 flat angles P-C4'-P energy: -43.670 tors. eta vs tors. theta energy: -42.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -546.182644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.182644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.182644 (E_RNA) where: Base-Base interactions energy: -264.519 where: short stacking energy: -166.728 Base-Backbone interact. energy: -1.337 local terms energy: -280.327249 where: bonds (distance) C4'-P energy: -67.977 bonds (distance) P-C4' energy: -90.197 flat angles C4'-P-C4' energy: -70.719 flat angles P-C4'-P energy: -43.035 tors. eta vs tors. theta energy: -8.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -496.018126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.018126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.018126 (E_RNA) where: Base-Base interactions energy: -258.283 where: short stacking energy: -164.977 Base-Backbone interact. energy: -0.259 local terms energy: -237.476213 where: bonds (distance) C4'-P energy: -64.884 bonds (distance) P-C4' energy: -71.657 flat angles C4'-P-C4' energy: -54.315 flat angles P-C4'-P energy: -35.137 tors. eta vs tors. theta energy: -11.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1503.842103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.842103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.842103 (E_RNA) where: Base-Base interactions energy: -1028.429 where: short stacking energy: -463.206 Base-Backbone interact. energy: 0.020 local terms energy: -475.433095 where: bonds (distance) C4'-P energy: -85.826 bonds (distance) P-C4' energy: -82.206 flat angles C4'-P-C4' energy: -111.074 flat angles P-C4'-P energy: -62.733 tors. eta vs tors. theta energy: -133.595 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: 5 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1449.941061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.941061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.941061 (E_RNA) where: Base-Base interactions energy: -931.220 where: short stacking energy: -454.674 Base-Backbone interact. energy: -1.613 local terms energy: -517.107694 where: bonds (distance) C4'-P energy: -95.490 bonds (distance) P-C4' energy: -99.267 flat angles C4'-P-C4' energy: -114.024 flat angles P-C4'-P energy: -66.706 tors. eta vs tors. theta energy: -141.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1308.539215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.539215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.539215 (E_RNA) where: Base-Base interactions energy: -849.209 where: short stacking energy: -375.088 Base-Backbone interact. energy: -2.647 local terms energy: -456.683490 where: bonds (distance) C4'-P energy: -84.722 bonds (distance) P-C4' energy: -95.834 flat angles C4'-P-C4' energy: -103.447 flat angles P-C4'-P energy: -64.555 tors. eta vs tors. theta energy: -108.126 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: 3 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1202.375945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.375945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.375945 (E_RNA) where: Base-Base interactions energy: -753.309 where: short stacking energy: -354.391 Base-Backbone interact. energy: -1.313 local terms energy: -447.753787 where: bonds (distance) C4'-P energy: -93.769 bonds (distance) P-C4' energy: -89.332 flat angles C4'-P-C4' energy: -92.718 flat angles P-C4'-P energy: -75.709 tors. eta vs tors. theta energy: -96.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -1145.210155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.210155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.210155 (E_RNA) where: Base-Base interactions energy: -743.931 where: short stacking energy: -323.285 Base-Backbone interact. energy: -2.981 local terms energy: -398.298218 where: bonds (distance) C4'-P energy: -77.316 bonds (distance) P-C4' energy: -89.709 flat angles C4'-P-C4' energy: -89.821 flat angles P-C4'-P energy: -66.340 tors. eta vs tors. theta energy: -75.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -929.053497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.053497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.053497 (E_RNA) where: Base-Base interactions energy: -558.493 where: short stacking energy: -274.763 Base-Backbone interact. energy: -1.097 local terms energy: -369.463722 where: bonds (distance) C4'-P energy: -99.904 bonds (distance) P-C4' energy: -79.624 flat angles C4'-P-C4' energy: -83.153 flat angles P-C4'-P energy: -48.139 tors. eta vs tors. theta energy: -58.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -901.476915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.476915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.476915 (E_RNA) where: Base-Base interactions energy: -531.465 where: short stacking energy: -282.070 Base-Backbone interact. energy: -0.779 local terms energy: -369.232939 where: bonds (distance) C4'-P energy: -83.872 bonds (distance) P-C4' energy: -81.444 flat angles C4'-P-C4' energy: -88.509 flat angles P-C4'-P energy: -58.226 tors. eta vs tors. theta energy: -57.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -717.777786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.777786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.777786 (E_RNA) where: Base-Base interactions energy: -418.252 where: short stacking energy: -220.384 Base-Backbone interact. energy: 1.787 local terms energy: -301.312661 where: bonds (distance) C4'-P energy: -76.652 bonds (distance) P-C4' energy: -73.069 flat angles C4'-P-C4' energy: -69.598 flat angles P-C4'-P energy: -47.250 tors. eta vs tors. theta energy: -34.744 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: 4 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -565.173593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.173593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.173593 (E_RNA) where: Base-Base interactions energy: -267.090 where: short stacking energy: -163.751 Base-Backbone interact. energy: 2.015 local terms energy: -300.099239 where: bonds (distance) C4'-P energy: -85.466 bonds (distance) P-C4' energy: -81.256 flat angles C4'-P-C4' energy: -74.082 flat angles P-C4'-P energy: -47.489 tors. eta vs tors. theta energy: -11.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -496.557926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.557926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.557926 (E_RNA) where: Base-Base interactions energy: -245.929 where: short stacking energy: -143.045 Base-Backbone interact. energy: 0.168 local terms energy: -250.796869 where: bonds (distance) C4'-P energy: -80.675 bonds (distance) P-C4' energy: -80.678 flat angles C4'-P-C4' energy: -70.678 flat angles P-C4'-P energy: -41.094 tors. eta vs tors. theta energy: 22.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1505.193640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.193640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.193640 (E_RNA) where: Base-Base interactions energy: -1009.335 where: short stacking energy: -453.849 Base-Backbone interact. energy: -1.947 local terms energy: -493.911262 where: bonds (distance) C4'-P energy: -103.873 bonds (distance) P-C4' energy: -103.972 flat angles C4'-P-C4' energy: -101.345 flat angles P-C4'-P energy: -66.180 tors. eta vs tors. theta energy: -118.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1419.319844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.319844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.319844 (E_RNA) where: Base-Base interactions energy: -925.748 where: short stacking energy: -428.458 Base-Backbone interact. energy: -1.109 local terms energy: -492.462437 where: bonds (distance) C4'-P energy: -93.003 bonds (distance) P-C4' energy: -96.601 flat angles C4'-P-C4' energy: -104.043 flat angles P-C4'-P energy: -74.001 tors. eta vs tors. theta energy: -124.815 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: 369 Temperature: 1.000000 Total energy: -1315.871199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.871199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.871199 (E_RNA) where: Base-Base interactions energy: -867.773 where: short stacking energy: -416.027 Base-Backbone interact. energy: -1.270 local terms energy: -446.828513 where: bonds (distance) C4'-P energy: -80.680 bonds (distance) P-C4' energy: -90.799 flat angles C4'-P-C4' energy: -102.197 flat angles P-C4'-P energy: -56.731 tors. eta vs tors. theta energy: -116.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1213.896997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.896997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.896997 (E_RNA) where: Base-Base interactions energy: -804.192 where: short stacking energy: -374.116 Base-Backbone interact. energy: 0.438 local terms energy: -410.142740 where: bonds (distance) C4'-P energy: -82.635 bonds (distance) P-C4' energy: -86.306 flat angles C4'-P-C4' energy: -97.530 flat angles P-C4'-P energy: -47.247 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: 7 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -1188.661339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.661339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.661339 (E_RNA) where: Base-Base interactions energy: -768.123 where: short stacking energy: -361.747 Base-Backbone interact. energy: -0.135 local terms energy: -420.403467 where: bonds (distance) C4'-P energy: -83.979 bonds (distance) P-C4' energy: -97.460 flat angles C4'-P-C4' energy: -103.559 flat angles P-C4'-P energy: -49.830 tors. eta vs tors. theta energy: -85.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -929.052337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.052337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.052337 (E_RNA) where: Base-Base interactions energy: -564.432 where: short stacking energy: -302.079 Base-Backbone interact. energy: -2.236 local terms energy: -362.384579 where: bonds (distance) C4'-P energy: -90.077 bonds (distance) P-C4' energy: -75.080 flat angles C4'-P-C4' energy: -90.758 flat angles P-C4'-P energy: -46.938 tors. eta vs tors. theta energy: -59.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -883.632557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.632557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.632557 (E_RNA) where: Base-Base interactions energy: -511.734 where: short stacking energy: -253.363 Base-Backbone interact. energy: -2.597 local terms energy: -369.301241 where: bonds (distance) C4'-P energy: -87.856 bonds (distance) P-C4' energy: -87.361 flat angles C4'-P-C4' energy: -89.496 flat angles P-C4'-P energy: -62.347 tors. eta vs tors. theta energy: -42.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -794.569437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.569437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.569437 (E_RNA) where: Base-Base interactions energy: -461.587 where: short stacking energy: -224.705 Base-Backbone interact. energy: -1.384 local terms energy: -331.598024 where: bonds (distance) C4'-P energy: -76.958 bonds (distance) P-C4' energy: -91.460 flat angles C4'-P-C4' energy: -84.489 flat angles P-C4'-P energy: -51.390 tors. eta vs tors. theta energy: -27.301 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: 9, replica: 4 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -547.645267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.645267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.645267 (E_RNA) where: Base-Base interactions energy: -262.704 where: short stacking energy: -146.613 Base-Backbone interact. energy: 2.106 local terms energy: -287.046962 where: bonds (distance) C4'-P energy: -74.330 bonds (distance) P-C4' energy: -90.659 flat angles C4'-P-C4' energy: -70.540 flat angles P-C4'-P energy: -52.020 tors. eta vs tors. theta energy: 0.502 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: 10, replica: 8 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -539.783333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.783333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.783333 (E_RNA) where: Base-Base interactions energy: -288.549 where: short stacking energy: -163.621 Base-Backbone interact. energy: 7.010 local terms energy: -258.244916 where: bonds (distance) C4'-P energy: -75.451 bonds (distance) P-C4' energy: -77.140 flat angles C4'-P-C4' energy: -73.263 flat angles P-C4'-P energy: -31.494 tors. eta vs tors. theta energy: -0.898 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: 9 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1533.013137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.013137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.013137 (E_RNA) where: Base-Base interactions energy: -1028.796 where: short stacking energy: -470.134 Base-Backbone interact. energy: -2.727 local terms energy: -501.489928 where: bonds (distance) C4'-P energy: -99.402 bonds (distance) P-C4' energy: -99.597 flat angles C4'-P-C4' energy: -98.984 flat angles P-C4'-P energy: -71.856 tors. eta vs tors. theta energy: -131.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1401.439493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.439493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.439493 (E_RNA) where: Base-Base interactions energy: -916.606 where: short stacking energy: -443.874 Base-Backbone interact. energy: -2.348 local terms energy: -482.484721 where: bonds (distance) C4'-P energy: -86.649 bonds (distance) P-C4' energy: -89.628 flat angles C4'-P-C4' energy: -100.568 flat angles P-C4'-P energy: -76.847 tors. eta vs tors. theta energy: -128.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1298.583525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.583525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.583525 (E_RNA) where: Base-Base interactions energy: -858.738 where: short stacking energy: -391.361 Base-Backbone interact. energy: -1.253 local terms energy: -438.592841 where: bonds (distance) C4'-P energy: -83.549 bonds (distance) P-C4' energy: -87.437 flat angles C4'-P-C4' energy: -91.397 flat angles P-C4'-P energy: -61.914 tors. eta vs tors. theta energy: -114.296 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: 4, replica: 3 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1193.617765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.617765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.617765 (E_RNA) where: Base-Base interactions energy: -763.828 where: short stacking energy: -342.069 Base-Backbone interact. energy: 0.648 local terms energy: -430.437712 where: bonds (distance) C4'-P energy: -95.883 bonds (distance) P-C4' energy: -95.427 flat angles C4'-P-C4' energy: -89.291 flat angles P-C4'-P energy: -67.994 tors. eta vs tors. theta energy: -81.843 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: 7 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -1144.745477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.745477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.745477 (E_RNA) where: Base-Base interactions energy: -739.670 where: short stacking energy: -326.671 Base-Backbone interact. energy: -0.116 local terms energy: -404.959807 where: bonds (distance) C4'-P energy: -86.201 bonds (distance) P-C4' energy: -95.054 flat angles C4'-P-C4' energy: -96.039 flat angles P-C4'-P energy: -50.244 tors. eta vs tors. theta energy: -77.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -893.625507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.625507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.625507 (E_RNA) where: Base-Base interactions energy: -551.969 where: short stacking energy: -264.640 Base-Backbone interact. energy: 0.705 local terms energy: -342.361065 where: bonds (distance) C4'-P energy: -81.138 bonds (distance) P-C4' energy: -76.250 flat angles C4'-P-C4' energy: -75.905 flat angles P-C4'-P energy: -53.080 tors. eta vs tors. theta energy: -55.988 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: 7, replica: 10 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -896.354719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.354719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.354719 (E_RNA) where: Base-Base interactions energy: -521.316 where: short stacking energy: -268.792 Base-Backbone interact. energy: -2.426 local terms energy: -372.612094 where: bonds (distance) C4'-P energy: -90.394 bonds (distance) P-C4' energy: -90.104 flat angles C4'-P-C4' energy: -83.347 flat angles P-C4'-P energy: -47.404 tors. eta vs tors. theta energy: -61.362 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: 1 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -842.148407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.148407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.148407 (E_RNA) where: Base-Base interactions energy: -511.847 where: short stacking energy: -256.508 Base-Backbone interact. energy: -1.826 local terms energy: -328.475468 where: bonds (distance) C4'-P energy: -88.377 bonds (distance) P-C4' energy: -73.927 flat angles C4'-P-C4' energy: -75.129 flat angles P-C4'-P energy: -41.341 tors. eta vs tors. theta energy: -49.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -548.195731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.195731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.195731 (E_RNA) where: Base-Base interactions energy: -300.689 where: short stacking energy: -167.434 Base-Backbone interact. energy: 4.829 local terms energy: -252.335649 where: bonds (distance) C4'-P energy: -78.724 bonds (distance) P-C4' energy: -76.033 flat angles C4'-P-C4' energy: -55.501 flat angles P-C4'-P energy: -40.893 tors. eta vs tors. theta energy: -1.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -484.195851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.195851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.195851 (E_RNA) where: Base-Base interactions energy: -221.828 where: short stacking energy: -126.040 Base-Backbone interact. energy: -2.111 local terms energy: -260.255941 where: bonds (distance) C4'-P energy: -59.740 bonds (distance) P-C4' energy: -99.050 flat angles C4'-P-C4' energy: -50.565 flat angles P-C4'-P energy: -58.112 tors. eta vs tors. theta energy: 7.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1535.191933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.191933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.191933 (E_RNA) where: Base-Base interactions energy: -1037.126 where: short stacking energy: -486.002 Base-Backbone interact. energy: -0.912 local terms energy: -497.154849 where: bonds (distance) C4'-P energy: -91.611 bonds (distance) P-C4' energy: -102.956 flat angles C4'-P-C4' energy: -100.982 flat angles P-C4'-P energy: -60.258 tors. eta vs tors. theta energy: -141.348 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: 2, replica: 5 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1384.608757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.608757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.608757 (E_RNA) where: Base-Base interactions energy: -910.358 where: short stacking energy: -425.624 Base-Backbone interact. energy: -3.970 local terms energy: -470.280545 where: bonds (distance) C4'-P energy: -94.290 bonds (distance) P-C4' energy: -93.687 flat angles C4'-P-C4' energy: -102.975 flat angles P-C4'-P energy: -62.757 tors. eta vs tors. theta energy: -116.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1338.320781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.320781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.320781 (E_RNA) where: Base-Base interactions energy: -878.826 where: short stacking energy: -398.588 Base-Backbone interact. energy: -3.002 local terms energy: -456.492786 where: bonds (distance) C4'-P energy: -86.624 bonds (distance) P-C4' energy: -96.019 flat angles C4'-P-C4' energy: -91.799 flat angles P-C4'-P energy: -58.283 tors. eta vs tors. theta energy: -123.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -1190.465751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.465751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.465751 (E_RNA) where: Base-Base interactions energy: -748.812 where: short stacking energy: -352.208 Base-Backbone interact. energy: 1.001 local terms energy: -442.655130 where: bonds (distance) C4'-P energy: -91.120 bonds (distance) P-C4' energy: -96.995 flat angles C4'-P-C4' energy: -94.790 flat angles P-C4'-P energy: -66.380 tors. eta vs tors. theta energy: -93.370 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: 3 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -1150.966844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.966844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.966844 (E_RNA) where: Base-Base interactions energy: -754.985 where: short stacking energy: -342.684 Base-Backbone interact. energy: 0.125 local terms energy: -396.106348 where: bonds (distance) C4'-P energy: -81.846 bonds (distance) P-C4' energy: -91.337 flat angles C4'-P-C4' energy: -80.337 flat angles P-C4'-P energy: -52.589 tors. eta vs tors. theta energy: -89.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -885.358225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.358225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.358225 (E_RNA) where: Base-Base interactions energy: -529.745 where: short stacking energy: -275.634 Base-Backbone interact. energy: 0.381 local terms energy: -355.994772 where: bonds (distance) C4'-P energy: -68.187 bonds (distance) P-C4' energy: -87.725 flat angles C4'-P-C4' energy: -80.381 flat angles P-C4'-P energy: -58.581 tors. eta vs tors. theta energy: -61.121 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: 10 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -919.582092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.582092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.582092 (E_RNA) where: Base-Base interactions energy: -537.533 where: short stacking energy: -273.941 Base-Backbone interact. energy: 1.342 local terms energy: -383.391618 where: bonds (distance) C4'-P energy: -83.933 bonds (distance) P-C4' energy: -98.489 flat angles C4'-P-C4' energy: -81.043 flat angles P-C4'-P energy: -58.890 tors. eta vs tors. theta energy: -61.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -807.378993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.378993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.378993 (E_RNA) where: Base-Base interactions energy: -483.287 where: short stacking energy: -245.463 Base-Backbone interact. energy: -0.475 local terms energy: -323.617302 where: bonds (distance) C4'-P energy: -75.474 bonds (distance) P-C4' energy: -73.898 flat angles C4'-P-C4' energy: -93.323 flat angles P-C4'-P energy: -49.337 tors. eta vs tors. theta energy: -31.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -578.354031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.354031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.354031 (E_RNA) where: Base-Base interactions energy: -318.458 where: short stacking energy: -164.232 Base-Backbone interact. energy: 3.436 local terms energy: -263.331459 where: bonds (distance) C4'-P energy: -82.043 bonds (distance) P-C4' energy: -76.710 flat angles C4'-P-C4' energy: -72.962 flat angles P-C4'-P energy: -34.849 tors. eta vs tors. theta energy: 3.233 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: 4 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -518.087523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.087523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.087523 (E_RNA) where: Base-Base interactions energy: -261.564 where: short stacking energy: -153.064 Base-Backbone interact. energy: 0.573 local terms energy: -257.095983 where: bonds (distance) C4'-P energy: -65.623 bonds (distance) P-C4' energy: -79.742 flat angles C4'-P-C4' energy: -73.769 flat angles P-C4'-P energy: -41.212 tors. eta vs tors. theta energy: 3.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1525.685481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.685481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.685481 (E_RNA) where: Base-Base interactions energy: -1023.846 where: short stacking energy: -485.673 Base-Backbone interact. energy: -4.027 local terms energy: -497.811740 where: bonds (distance) C4'-P energy: -92.812 bonds (distance) P-C4' energy: -96.217 flat angles C4'-P-C4' energy: -105.127 flat angles P-C4'-P energy: -63.062 tors. eta vs tors. theta energy: -140.595 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: 5 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1427.230016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.230016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.230016 (E_RNA) where: Base-Base interactions energy: -934.488 where: short stacking energy: -457.035 Base-Backbone interact. energy: -2.595 local terms energy: -490.146975 where: bonds (distance) C4'-P energy: -95.064 bonds (distance) P-C4' energy: -90.833 flat angles C4'-P-C4' energy: -105.442 flat angles P-C4'-P energy: -70.347 tors. eta vs tors. theta energy: -128.461 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: 2 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1314.401436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.401436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.401436 (E_RNA) where: Base-Base interactions energy: -847.777 where: short stacking energy: -380.540 Base-Backbone interact. energy: -4.213 local terms energy: -462.411721 where: bonds (distance) C4'-P energy: -93.482 bonds (distance) P-C4' energy: -81.108 flat angles C4'-P-C4' energy: -106.153 flat angles P-C4'-P energy: -74.432 tors. eta vs tors. theta energy: -107.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1187.243409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.243409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.243409 (E_RNA) where: Base-Base interactions energy: -774.610 where: short stacking energy: -353.225 Base-Backbone interact. energy: -2.745 local terms energy: -409.887553 where: bonds (distance) C4'-P energy: -86.642 bonds (distance) P-C4' energy: -80.346 flat angles C4'-P-C4' energy: -91.316 flat angles P-C4'-P energy: -61.131 tors. eta vs tors. theta energy: -90.452 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: 3 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -1154.474197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.474197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.474197 (E_RNA) where: Base-Base interactions energy: -733.647 where: short stacking energy: -360.811 Base-Backbone interact. energy: -0.246 local terms energy: -420.581095 where: bonds (distance) C4'-P energy: -86.747 bonds (distance) P-C4' energy: -91.941 flat angles C4'-P-C4' energy: -91.828 flat angles P-C4'-P energy: -64.661 tors. eta vs tors. theta energy: -85.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -854.850929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.850929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.850929 (E_RNA) where: Base-Base interactions energy: -487.128 where: short stacking energy: -242.512 Base-Backbone interact. energy: -0.850 local terms energy: -366.873125 where: bonds (distance) C4'-P energy: -88.984 bonds (distance) P-C4' energy: -95.046 flat angles C4'-P-C4' energy: -78.409 flat angles P-C4'-P energy: -56.881 tors. eta vs tors. theta energy: -47.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -947.093324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.093324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.093324 (E_RNA) where: Base-Base interactions energy: -562.407 where: short stacking energy: -257.765 Base-Backbone interact. energy: -2.360 local terms energy: -382.326353 where: bonds (distance) C4'-P energy: -79.990 bonds (distance) P-C4' energy: -93.372 flat angles C4'-P-C4' energy: -79.592 flat angles P-C4'-P energy: -58.194 tors. eta vs tors. theta energy: -71.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -763.069032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.069032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.069032 (E_RNA) where: Base-Base interactions energy: -467.331 where: short stacking energy: -218.830 Base-Backbone interact. energy: 0.689 local terms energy: -296.426941 where: bonds (distance) C4'-P energy: -88.087 bonds (distance) P-C4' energy: -79.657 flat angles C4'-P-C4' energy: -73.953 flat angles P-C4'-P energy: -29.682 tors. eta vs tors. theta energy: -25.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -570.093758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.093758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.093758 (E_RNA) where: Base-Base interactions energy: -309.693 where: short stacking energy: -158.813 Base-Backbone interact. energy: -0.630 local terms energy: -259.771321 where: bonds (distance) C4'-P energy: -75.404 bonds (distance) P-C4' energy: -96.548 flat angles C4'-P-C4' energy: -63.771 flat angles P-C4'-P energy: -34.522 tors. eta vs tors. theta energy: 10.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -505.082525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.082525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.082525 (E_RNA) where: Base-Base interactions energy: -243.023 where: short stacking energy: -126.906 Base-Backbone interact. energy: -1.620 local terms energy: -260.439692 where: bonds (distance) C4'-P energy: -79.812 bonds (distance) P-C4' energy: -83.965 flat angles C4'-P-C4' energy: -64.752 flat angles P-C4'-P energy: -46.708 tors. eta vs tors. theta energy: 14.798 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: 9 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1520.031586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.031586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.031586 (E_RNA) where: Base-Base interactions energy: -1012.640 where: short stacking energy: -492.823 Base-Backbone interact. energy: -3.136 local terms energy: -504.255743 where: bonds (distance) C4'-P energy: -99.874 bonds (distance) P-C4' energy: -99.735 flat angles C4'-P-C4' energy: -99.810 flat angles P-C4'-P energy: -74.959 tors. eta vs tors. theta energy: -129.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1354.948513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.948513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.948513 (E_RNA) where: Base-Base interactions energy: -875.396 where: short stacking energy: -400.666 Base-Backbone interact. energy: -2.340 local terms energy: -477.212554 where: bonds (distance) C4'-P energy: -92.996 bonds (distance) P-C4' energy: -95.763 flat angles C4'-P-C4' energy: -107.407 flat angles P-C4'-P energy: -75.725 tors. eta vs tors. theta energy: -105.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1360.118117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.118117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.118117 (E_RNA) where: Base-Base interactions energy: -864.811 where: short stacking energy: -400.151 Base-Backbone interact. energy: -1.681 local terms energy: -493.626944 where: bonds (distance) C4'-P energy: -96.623 bonds (distance) P-C4' energy: -97.457 flat angles C4'-P-C4' energy: -102.531 flat angles P-C4'-P energy: -83.722 tors. eta vs tors. theta energy: -113.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -1178.517410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.517410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.517410 (E_RNA) where: Base-Base interactions energy: -763.894 where: short stacking energy: -357.137 Base-Backbone interact. energy: -1.451 local terms energy: -413.172634 where: bonds (distance) C4'-P energy: -82.868 bonds (distance) P-C4' energy: -81.029 flat angles C4'-P-C4' energy: -97.146 flat angles P-C4'-P energy: -66.521 tors. eta vs tors. theta energy: -85.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -1117.514901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.514901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.514901 (E_RNA) where: Base-Base interactions energy: -718.760 where: short stacking energy: -342.400 Base-Backbone interact. energy: -1.645 local terms energy: -397.110129 where: bonds (distance) C4'-P energy: -81.708 bonds (distance) P-C4' energy: -95.698 flat angles C4'-P-C4' energy: -91.445 flat angles P-C4'-P energy: -51.022 tors. eta vs tors. theta energy: -77.237 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: 6, replica: 10 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -1005.539927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.539927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.539927 (E_RNA) where: Base-Base interactions energy: -626.125 where: short stacking energy: -312.712 Base-Backbone interact. energy: 3.342 local terms energy: -382.756881 where: bonds (distance) C4'-P energy: -97.821 bonds (distance) P-C4' energy: -85.324 flat angles C4'-P-C4' energy: -91.558 flat angles P-C4'-P energy: -37.949 tors. eta vs tors. theta energy: -70.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -879.871946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.871946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.871946 (E_RNA) where: Base-Base interactions energy: -510.284 where: short stacking energy: -253.274 Base-Backbone interact. energy: -1.452 local terms energy: -368.136132 where: bonds (distance) C4'-P energy: -89.175 bonds (distance) P-C4' energy: -81.641 flat angles C4'-P-C4' energy: -89.510 flat angles P-C4'-P energy: -51.974 tors. eta vs tors. theta energy: -55.835 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: 8, replica: 1 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -723.448501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.448501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.448501 (E_RNA) where: Base-Base interactions energy: -429.528 where: short stacking energy: -230.842 Base-Backbone interact. energy: 2.579 local terms energy: -296.499472 where: bonds (distance) C4'-P energy: -61.713 bonds (distance) P-C4' energy: -74.327 flat angles C4'-P-C4' energy: -92.628 flat angles P-C4'-P energy: -44.838 tors. eta vs tors. theta energy: -22.993 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: 8 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -607.830765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.830765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.830765 (E_RNA) where: Base-Base interactions energy: -343.651 where: short stacking energy: -171.031 Base-Backbone interact. energy: 0.149 local terms energy: -264.328667 where: bonds (distance) C4'-P energy: -79.081 bonds (distance) P-C4' energy: -66.764 flat angles C4'-P-C4' energy: -50.430 flat angles P-C4'-P energy: -58.401 tors. eta vs tors. theta energy: -9.652 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: 10, replica: 4 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -497.083249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.083249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.083249 (E_RNA) where: Base-Base interactions energy: -254.942 where: short stacking energy: -157.341 Base-Backbone interact. energy: -2.703 local terms energy: -239.438571 where: bonds (distance) C4'-P energy: -59.082 bonds (distance) P-C4' energy: -71.887 flat angles C4'-P-C4' energy: -63.741 flat angles P-C4'-P energy: -37.201 tors. eta vs tors. theta energy: -7.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1540.664499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.664499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.664499 (E_RNA) where: Base-Base interactions energy: -1024.752 where: short stacking energy: -455.876 Base-Backbone interact. energy: -2.401 local terms energy: -513.511716 where: bonds (distance) C4'-P energy: -106.784 bonds (distance) P-C4' energy: -99.739 flat angles C4'-P-C4' energy: -106.457 flat angles P-C4'-P energy: -63.682 tors. eta vs tors. theta energy: -136.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1359.742952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.742952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.742952 (E_RNA) where: Base-Base interactions energy: -895.639 where: short stacking energy: -405.411 Base-Backbone interact. energy: -0.374 local terms energy: -463.730566 where: bonds (distance) C4'-P energy: -88.620 bonds (distance) P-C4' energy: -97.371 flat angles C4'-P-C4' energy: -100.647 flat angles P-C4'-P energy: -70.970 tors. eta vs tors. theta energy: -106.123 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: 7 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1229.079817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.079817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.079817 (E_RNA) where: Base-Base interactions energy: -804.091 where: short stacking energy: -404.704 Base-Backbone interact. energy: 0.748 local terms energy: -425.736873 where: bonds (distance) C4'-P energy: -77.881 bonds (distance) P-C4' energy: -90.437 flat angles C4'-P-C4' energy: -84.753 flat angles P-C4'-P energy: -72.101 tors. eta vs tors. theta energy: -100.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -1278.595145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.595145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.595145 (E_RNA) where: Base-Base interactions energy: -841.555 where: short stacking energy: -405.194 Base-Backbone interact. energy: 1.049 local terms energy: -438.089506 where: bonds (distance) C4'-P energy: -69.645 bonds (distance) P-C4' energy: -85.266 flat angles C4'-P-C4' energy: -102.985 flat angles P-C4'-P energy: -66.016 tors. eta vs tors. theta energy: -114.177 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: 3 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -1133.341243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.341243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.341243 (E_RNA) where: Base-Base interactions energy: -713.542 where: short stacking energy: -343.550 Base-Backbone interact. energy: -0.003 local terms energy: -419.795766 where: bonds (distance) C4'-P energy: -80.220 bonds (distance) P-C4' energy: -95.239 flat angles C4'-P-C4' energy: -91.584 flat angles P-C4'-P energy: -63.717 tors. eta vs tors. theta energy: -89.035 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: 10 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -962.066834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.066834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.066834 (E_RNA) where: Base-Base interactions energy: -558.293 where: short stacking energy: -282.905 Base-Backbone interact. energy: -1.658 local terms energy: -402.116365 where: bonds (distance) C4'-P energy: -80.805 bonds (distance) P-C4' energy: -104.400 flat angles C4'-P-C4' energy: -94.215 flat angles P-C4'-P energy: -65.419 tors. eta vs tors. theta energy: -57.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -887.531784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.531784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.531784 (E_RNA) where: Base-Base interactions energy: -522.217 where: short stacking energy: -254.054 Base-Backbone interact. energy: 1.627 local terms energy: -366.942146 where: bonds (distance) C4'-P energy: -68.926 bonds (distance) P-C4' energy: -97.100 flat angles C4'-P-C4' energy: -81.904 flat angles P-C4'-P energy: -66.144 tors. eta vs tors. theta energy: -52.868 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: 1 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -719.221758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.221758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.221758 (E_RNA) where: Base-Base interactions energy: -392.056 where: short stacking energy: -200.406 Base-Backbone interact. energy: -2.424 local terms energy: -324.742031 where: bonds (distance) C4'-P energy: -62.845 bonds (distance) P-C4' energy: -91.867 flat angles C4'-P-C4' energy: -89.914 flat angles P-C4'-P energy: -38.516 tors. eta vs tors. theta energy: -41.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -634.937567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.937567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.937567 (E_RNA) where: Base-Base interactions energy: -357.874 where: short stacking energy: -177.945 Base-Backbone interact. energy: 0.045 local terms energy: -277.108679 where: bonds (distance) C4'-P energy: -75.448 bonds (distance) P-C4' energy: -80.059 flat angles C4'-P-C4' energy: -51.489 flat angles P-C4'-P energy: -57.610 tors. eta vs tors. theta energy: -12.502 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: 10, replica: 4 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -516.562995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.562995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.562995 (E_RNA) where: Base-Base interactions energy: -256.819 where: short stacking energy: -135.303 Base-Backbone interact. energy: 0.250 local terms energy: -259.993983 where: bonds (distance) C4'-P energy: -75.766 bonds (distance) P-C4' energy: -86.923 flat angles C4'-P-C4' energy: -66.672 flat angles P-C4'-P energy: -36.706 tors. eta vs tors. theta energy: 6.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1547.544209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.544209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.544209 (E_RNA) where: Base-Base interactions energy: -1041.188 where: short stacking energy: -472.263 Base-Backbone interact. energy: -1.900 local terms energy: -504.456426 where: bonds (distance) C4'-P energy: -83.513 bonds (distance) P-C4' energy: -96.734 flat angles C4'-P-C4' energy: -110.987 flat angles P-C4'-P energy: -84.359 tors. eta vs tors. theta energy: -128.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1350.667527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.667527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.667527 (E_RNA) where: Base-Base interactions energy: -876.646 where: short stacking energy: -383.178 Base-Backbone interact. energy: -0.902 local terms energy: -473.119598 where: bonds (distance) C4'-P energy: -84.658 bonds (distance) P-C4' energy: -98.245 flat angles C4'-P-C4' energy: -111.530 flat angles P-C4'-P energy: -60.384 tors. eta vs tors. theta energy: -118.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1215.696710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.696710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.696710 (E_RNA) where: Base-Base interactions energy: -770.529 where: short stacking energy: -378.968 Base-Backbone interact. energy: -2.953 local terms energy: -442.214347 where: bonds (distance) C4'-P energy: -79.727 bonds (distance) P-C4' energy: -99.988 flat angles C4'-P-C4' energy: -91.807 flat angles P-C4'-P energy: -65.844 tors. eta vs tors. theta energy: -104.848 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: 5 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1264.217196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.217196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.217196 (E_RNA) where: Base-Base interactions energy: -823.031 where: short stacking energy: -385.920 Base-Backbone interact. energy: 0.728 local terms energy: -441.913517 where: bonds (distance) C4'-P energy: -86.155 bonds (distance) P-C4' energy: -92.934 flat angles C4'-P-C4' energy: -97.456 flat angles P-C4'-P energy: -58.810 tors. eta vs tors. theta energy: -106.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -1109.207394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.207394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.207394 (E_RNA) where: Base-Base interactions energy: -708.429 where: short stacking energy: -349.770 Base-Backbone interact. energy: -1.908 local terms energy: -398.869870 where: bonds (distance) C4'-P energy: -83.904 bonds (distance) P-C4' energy: -94.276 flat angles C4'-P-C4' energy: -85.822 flat angles P-C4'-P energy: -53.420 tors. eta vs tors. theta energy: -81.448 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: 375 Temperature: 1.150000 Total energy: -958.943265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.943265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.943265 (E_RNA) where: Base-Base interactions energy: -571.338 where: short stacking energy: -283.464 Base-Backbone interact. energy: -1.340 local terms energy: -386.265093 where: bonds (distance) C4'-P energy: -84.927 bonds (distance) P-C4' energy: -90.549 flat angles C4'-P-C4' energy: -101.481 flat angles P-C4'-P energy: -48.331 tors. eta vs tors. theta energy: -60.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -897.003697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.003697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.003697 (E_RNA) where: Base-Base interactions energy: -538.162 where: short stacking energy: -257.682 Base-Backbone interact. energy: -0.915 local terms energy: -357.926379 where: bonds (distance) C4'-P energy: -66.758 bonds (distance) P-C4' energy: -87.924 flat angles C4'-P-C4' energy: -94.574 flat angles P-C4'-P energy: -53.630 tors. eta vs tors. theta energy: -55.041 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: 1 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -738.004659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.004659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.004659 (E_RNA) where: Base-Base interactions energy: -406.195 where: short stacking energy: -200.195 Base-Backbone interact. energy: -1.883 local terms energy: -329.926331 where: bonds (distance) C4'-P energy: -87.516 bonds (distance) P-C4' energy: -83.563 flat angles C4'-P-C4' energy: -82.210 flat angles P-C4'-P energy: -48.566 tors. eta vs tors. theta energy: -28.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -586.110247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.110247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.110247 (E_RNA) where: Base-Base interactions energy: -301.383 where: short stacking energy: -151.140 Base-Backbone interact. energy: -0.549 local terms energy: -284.177940 where: bonds (distance) C4'-P energy: -75.223 bonds (distance) P-C4' energy: -86.052 flat angles C4'-P-C4' energy: -61.415 flat angles P-C4'-P energy: -45.151 tors. eta vs tors. theta energy: -16.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -543.054356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.054356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.054356 (E_RNA) where: Base-Base interactions energy: -290.368 where: short stacking energy: -161.856 Base-Backbone interact. energy: 1.668 local terms energy: -254.354739 where: bonds (distance) C4'-P energy: -79.097 bonds (distance) P-C4' energy: -81.132 flat angles C4'-P-C4' energy: -60.676 flat angles P-C4'-P energy: -35.167 tors. eta vs tors. theta energy: 1.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1526.423397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.423397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.423397 (E_RNA) where: Base-Base interactions energy: -1001.821 where: short stacking energy: -464.635 Base-Backbone interact. energy: 5.232 local terms energy: -529.835239 where: bonds (distance) C4'-P energy: -103.884 bonds (distance) P-C4' energy: -104.595 flat angles C4'-P-C4' energy: -117.241 flat angles P-C4'-P energy: -64.473 tors. eta vs tors. theta energy: -139.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1381.814695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.814695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.814695 (E_RNA) where: Base-Base interactions energy: -901.880 where: short stacking energy: -389.631 Base-Backbone interact. energy: -0.562 local terms energy: -479.372749 where: bonds (distance) C4'-P energy: -98.743 bonds (distance) P-C4' energy: -90.749 flat angles C4'-P-C4' energy: -101.401 flat angles P-C4'-P energy: -73.002 tors. eta vs tors. theta energy: -115.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1322.587037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.587037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.587037 (E_RNA) where: Base-Base interactions energy: -851.883 where: short stacking energy: -403.450 Base-Backbone interact. energy: -0.880 local terms energy: -469.824232 where: bonds (distance) C4'-P energy: -96.812 bonds (distance) P-C4' energy: -90.113 flat angles C4'-P-C4' energy: -89.965 flat angles P-C4'-P energy: -70.210 tors. eta vs tors. theta energy: -122.724 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: 7 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1170.881274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.881274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.881274 (E_RNA) where: Base-Base interactions energy: -743.043 where: short stacking energy: -356.091 Base-Backbone interact. energy: -1.064 local terms energy: -426.774276 where: bonds (distance) C4'-P energy: -86.774 bonds (distance) P-C4' energy: -89.250 flat angles C4'-P-C4' energy: -95.887 flat angles P-C4'-P energy: -63.365 tors. eta vs tors. theta energy: -91.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -1118.006147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.006147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.006147 (E_RNA) where: Base-Base interactions energy: -707.385 where: short stacking energy: -328.627 Base-Backbone interact. energy: 2.455 local terms energy: -413.076119 where: bonds (distance) C4'-P energy: -87.552 bonds (distance) P-C4' energy: -97.276 flat angles C4'-P-C4' energy: -91.460 flat angles P-C4'-P energy: -58.133 tors. eta vs tors. theta energy: -78.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -965.214130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.214130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.214130 (E_RNA) where: Base-Base interactions energy: -584.400 where: short stacking energy: -260.820 Base-Backbone interact. energy: -2.511 local terms energy: -378.303141 where: bonds (distance) C4'-P energy: -76.781 bonds (distance) P-C4' energy: -94.746 flat angles C4'-P-C4' energy: -84.951 flat angles P-C4'-P energy: -60.720 tors. eta vs tors. theta energy: -61.105 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: 6 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -923.306342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.306342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.306342 (E_RNA) where: Base-Base interactions energy: -566.448 where: short stacking energy: -270.659 Base-Backbone interact. energy: -0.140 local terms energy: -356.718308 where: bonds (distance) C4'-P energy: -88.342 bonds (distance) P-C4' energy: -71.427 flat angles C4'-P-C4' energy: -87.774 flat angles P-C4'-P energy: -55.253 tors. eta vs tors. theta energy: -53.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -727.518315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.518315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.518315 (E_RNA) where: Base-Base interactions energy: -409.077 where: short stacking energy: -199.311 Base-Backbone interact. energy: -0.331 local terms energy: -318.110656 where: bonds (distance) C4'-P energy: -65.512 bonds (distance) P-C4' energy: -78.356 flat angles C4'-P-C4' energy: -95.761 flat angles P-C4'-P energy: -53.673 tors. eta vs tors. theta energy: -24.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -513.718370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.718370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.718370 (E_RNA) where: Base-Base interactions energy: -238.580 where: short stacking energy: -141.284 Base-Backbone interact. energy: 4.480 local terms energy: -279.618363 where: bonds (distance) C4'-P energy: -78.961 bonds (distance) P-C4' energy: -83.199 flat angles C4'-P-C4' energy: -72.328 flat angles P-C4'-P energy: -38.178 tors. eta vs tors. theta energy: -6.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -462.272387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.272387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.272387 (E_RNA) where: Base-Base interactions energy: -208.501 where: short stacking energy: -134.842 Base-Backbone interact. energy: 2.826 local terms energy: -256.598203 where: bonds (distance) C4'-P energy: -85.766 bonds (distance) P-C4' energy: -74.216 flat angles C4'-P-C4' energy: -77.090 flat angles P-C4'-P energy: -21.432 tors. eta vs tors. theta energy: 1.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1527.218774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.218774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.218774 (E_RNA) where: Base-Base interactions energy: -1020.183 where: short stacking energy: -449.588 Base-Backbone interact. energy: -3.476 local terms energy: -503.559895 where: bonds (distance) C4'-P energy: -88.178 bonds (distance) P-C4' energy: -101.555 flat angles C4'-P-C4' energy: -103.020 flat angles P-C4'-P energy: -74.762 tors. eta vs tors. theta energy: -136.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1379.852067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.852067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.852067 (E_RNA) where: Base-Base interactions energy: -906.208 where: short stacking energy: -409.221 Base-Backbone interact. energy: -2.320 local terms energy: -471.323695 where: bonds (distance) C4'-P energy: -96.992 bonds (distance) P-C4' energy: -104.067 flat angles C4'-P-C4' energy: -104.105 flat angles P-C4'-P energy: -56.465 tors. eta vs tors. theta energy: -109.695 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: 5 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1304.628920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.628920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.628920 (E_RNA) where: Base-Base interactions energy: -829.825 where: short stacking energy: -380.597 Base-Backbone interact. energy: -1.056 local terms energy: -473.748437 where: bonds (distance) C4'-P energy: -93.762 bonds (distance) P-C4' energy: -81.349 flat angles C4'-P-C4' energy: -100.206 flat angles P-C4'-P energy: -82.515 tors. eta vs tors. theta energy: -115.915 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: 7 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1239.348389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.348389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.348389 (E_RNA) where: Base-Base interactions energy: -789.101 where: short stacking energy: -381.953 Base-Backbone interact. energy: 0.445 local terms energy: -450.691613 where: bonds (distance) C4'-P energy: -90.747 bonds (distance) P-C4' energy: -91.749 flat angles C4'-P-C4' energy: -102.074 flat angles P-C4'-P energy: -64.572 tors. eta vs tors. theta energy: -101.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -1129.307392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.307392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.307392 (E_RNA) where: Base-Base interactions energy: -726.887 where: short stacking energy: -350.031 Base-Backbone interact. energy: 0.926 local terms energy: -403.346483 where: bonds (distance) C4'-P energy: -83.414 bonds (distance) P-C4' energy: -68.033 flat angles C4'-P-C4' energy: -95.148 flat angles P-C4'-P energy: -65.374 tors. eta vs tors. theta energy: -91.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -980.118285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.118285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.118285 (E_RNA) where: Base-Base interactions energy: -613.211 where: short stacking energy: -279.339 Base-Backbone interact. energy: -0.795 local terms energy: -366.112176 where: bonds (distance) C4'-P energy: -74.288 bonds (distance) P-C4' energy: -75.322 flat angles C4'-P-C4' energy: -79.353 flat angles P-C4'-P energy: -72.571 tors. eta vs tors. theta energy: -64.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -999.646355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.646355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.646355 (E_RNA) where: Base-Base interactions energy: -635.491 where: short stacking energy: -267.125 Base-Backbone interact. energy: 1.579 local terms energy: -365.734475 where: bonds (distance) C4'-P energy: -80.431 bonds (distance) P-C4' energy: -85.823 flat angles C4'-P-C4' energy: -86.852 flat angles P-C4'-P energy: -52.472 tors. eta vs tors. theta energy: -60.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -753.702670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.702670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.702670 (E_RNA) where: Base-Base interactions energy: -454.736 where: short stacking energy: -233.181 Base-Backbone interact. energy: 1.403 local terms energy: -300.369288 where: bonds (distance) C4'-P energy: -86.903 bonds (distance) P-C4' energy: -74.300 flat angles C4'-P-C4' energy: -78.757 flat angles P-C4'-P energy: -31.830 tors. eta vs tors. theta energy: -28.579 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: 8 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -523.311288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.311288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.311288 (E_RNA) where: Base-Base interactions energy: -242.791 where: short stacking energy: -163.443 Base-Backbone interact. energy: -0.100 local terms energy: -280.420467 where: bonds (distance) C4'-P energy: -68.717 bonds (distance) P-C4' energy: -87.993 flat angles C4'-P-C4' energy: -73.152 flat angles P-C4'-P energy: -49.559 tors. eta vs tors. theta energy: -1.000 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: 4 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -446.025018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.025018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.025018 (E_RNA) where: Base-Base interactions energy: -215.032 where: short stacking energy: -128.541 Base-Backbone interact. energy: 4.266 local terms energy: -235.258488 where: bonds (distance) C4'-P energy: -79.745 bonds (distance) P-C4' energy: -85.096 flat angles C4'-P-C4' energy: -47.829 flat angles P-C4'-P energy: -37.333 tors. eta vs tors. theta energy: 14.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1541.310948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.310948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.310948 (E_RNA) where: Base-Base interactions energy: -1018.844 where: short stacking energy: -459.021 Base-Backbone interact. energy: -3.476 local terms energy: -518.990927 where: bonds (distance) C4'-P energy: -92.463 bonds (distance) P-C4' energy: -99.036 flat angles C4'-P-C4' energy: -119.131 flat angles P-C4'-P energy: -73.143 tors. eta vs tors. theta energy: -135.218 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: 2 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1357.668736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.668736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.668736 (E_RNA) where: Base-Base interactions energy: -881.289 where: short stacking energy: -401.741 Base-Backbone interact. energy: 1.393 local terms energy: -477.773607 where: bonds (distance) C4'-P energy: -100.131 bonds (distance) P-C4' energy: -90.610 flat angles C4'-P-C4' energy: -112.482 flat angles P-C4'-P energy: -65.352 tors. eta vs tors. theta energy: -109.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1295.299677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.299677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.299677 (E_RNA) where: Base-Base interactions energy: -836.502 where: short stacking energy: -403.587 Base-Backbone interact. energy: -0.518 local terms energy: -458.279349 where: bonds (distance) C4'-P energy: -91.749 bonds (distance) P-C4' energy: -97.709 flat angles C4'-P-C4' energy: -100.840 flat angles P-C4'-P energy: -54.330 tors. eta vs tors. theta energy: -113.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1205.647518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.647518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.647518 (E_RNA) where: Base-Base interactions energy: -783.091 where: short stacking energy: -380.391 Base-Backbone interact. energy: 0.652 local terms energy: -423.209344 where: bonds (distance) C4'-P energy: -80.296 bonds (distance) P-C4' energy: -101.947 flat angles C4'-P-C4' energy: -91.406 flat angles P-C4'-P energy: -52.407 tors. eta vs tors. theta energy: -97.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1127.294953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.294953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.294953 (E_RNA) where: Base-Base interactions energy: -716.010 where: short stacking energy: -344.369 Base-Backbone interact. energy: -2.300 local terms energy: -408.984379 where: bonds (distance) C4'-P energy: -88.877 bonds (distance) P-C4' energy: -91.031 flat angles C4'-P-C4' energy: -90.473 flat angles P-C4'-P energy: -53.299 tors. eta vs tors. theta energy: -85.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -981.580071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.580071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.580071 (E_RNA) where: Base-Base interactions energy: -614.654 where: short stacking energy: -312.268 Base-Backbone interact. energy: 0.862 local terms energy: -367.788071 where: bonds (distance) C4'-P energy: -76.021 bonds (distance) P-C4' energy: -71.004 flat angles C4'-P-C4' energy: -93.084 flat angles P-C4'-P energy: -55.244 tors. eta vs tors. theta energy: -72.436 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: 6 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -920.637607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.637607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.637607 (E_RNA) where: Base-Base interactions energy: -548.568 where: short stacking energy: -267.368 Base-Backbone interact. energy: 2.110 local terms energy: -374.179870 where: bonds (distance) C4'-P energy: -74.630 bonds (distance) P-C4' energy: -97.742 flat angles C4'-P-C4' energy: -81.615 flat angles P-C4'-P energy: -56.125 tors. eta vs tors. theta energy: -64.068 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: 1 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -743.185654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.185654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.185654 (E_RNA) where: Base-Base interactions energy: -425.770 where: short stacking energy: -220.478 Base-Backbone interact. energy: 1.188 local terms energy: -318.604207 where: bonds (distance) C4'-P energy: -82.489 bonds (distance) P-C4' energy: -79.088 flat angles C4'-P-C4' energy: -72.043 flat angles P-C4'-P energy: -58.821 tors. eta vs tors. theta energy: -26.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -483.676019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.676019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.676019 (E_RNA) where: Base-Base interactions energy: -222.623 where: short stacking energy: -139.732 Base-Backbone interact. energy: -2.220 local terms energy: -258.833651 where: bonds (distance) C4'-P energy: -74.627 bonds (distance) P-C4' energy: -72.498 flat angles C4'-P-C4' energy: -76.510 flat angles P-C4'-P energy: -33.500 tors. eta vs tors. theta energy: -1.700 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: 4 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -470.368818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.368818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.368818 (E_RNA) where: Base-Base interactions energy: -218.795 where: short stacking energy: -125.865 Base-Backbone interact. energy: 0.956 local terms energy: -252.530249 where: bonds (distance) C4'-P energy: -79.626 bonds (distance) P-C4' energy: -80.426 flat angles C4'-P-C4' energy: -68.899 flat angles P-C4'-P energy: -29.034 tors. eta vs tors. theta energy: 5.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1507.041343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.041343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.041343 (E_RNA) where: Base-Base interactions energy: -1005.194 where: short stacking energy: -458.917 Base-Backbone interact. energy: 1.293 local terms energy: -503.140660 where: bonds (distance) C4'-P energy: -82.226 bonds (distance) P-C4' energy: -99.158 flat angles C4'-P-C4' energy: -106.709 flat angles P-C4'-P energy: -73.545 tors. eta vs tors. theta energy: -141.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1383.712073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.712073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.712073 (E_RNA) where: Base-Base interactions energy: -912.424 where: short stacking energy: -409.506 Base-Backbone interact. energy: -3.449 local terms energy: -467.839302 where: bonds (distance) C4'-P energy: -89.030 bonds (distance) P-C4' energy: -92.117 flat angles C4'-P-C4' energy: -105.768 flat angles P-C4'-P energy: -67.851 tors. eta vs tors. theta energy: -113.073 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: 5 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1303.481756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.481756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.481756 (E_RNA) where: Base-Base interactions energy: -844.875 where: short stacking energy: -390.391 Base-Backbone interact. energy: 0.184 local terms energy: -458.790675 where: bonds (distance) C4'-P energy: -83.986 bonds (distance) P-C4' energy: -92.408 flat angles C4'-P-C4' energy: -109.071 flat angles P-C4'-P energy: -61.081 tors. eta vs tors. theta energy: -112.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1149.397960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.397960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.397960 (E_RNA) where: Base-Base interactions energy: -740.090 where: short stacking energy: -361.228 Base-Backbone interact. energy: -1.172 local terms energy: -408.135371 where: bonds (distance) C4'-P energy: -94.537 bonds (distance) P-C4' energy: -79.766 flat angles C4'-P-C4' energy: -94.175 flat angles P-C4'-P energy: -51.284 tors. eta vs tors. theta energy: -88.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -1093.759587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.759587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.759587 (E_RNA) where: Base-Base interactions energy: -680.559 where: short stacking energy: -324.274 Base-Backbone interact. energy: -0.717 local terms energy: -412.483956 where: bonds (distance) C4'-P energy: -93.569 bonds (distance) P-C4' energy: -90.819 flat angles C4'-P-C4' energy: -100.325 flat angles P-C4'-P energy: -57.041 tors. eta vs tors. theta energy: -70.729 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: 10 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -962.520770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.520770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.520770 (E_RNA) where: Base-Base interactions energy: -590.708 where: short stacking energy: -287.060 Base-Backbone interact. energy: 0.069 local terms energy: -371.881109 where: bonds (distance) C4'-P energy: -85.370 bonds (distance) P-C4' energy: -77.807 flat angles C4'-P-C4' energy: -85.932 flat angles P-C4'-P energy: -60.637 tors. eta vs tors. theta energy: -62.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -953.834276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.834276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.834276 (E_RNA) where: Base-Base interactions energy: -588.479 where: short stacking energy: -265.227 Base-Backbone interact. energy: -0.914 local terms energy: -364.441029 where: bonds (distance) C4'-P energy: -98.395 bonds (distance) P-C4' energy: -83.238 flat angles C4'-P-C4' energy: -86.189 flat angles P-C4'-P energy: -27.836 tors. eta vs tors. theta energy: -68.783 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: 1 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -718.072607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.072607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.072607 (E_RNA) where: Base-Base interactions energy: -434.532 where: short stacking energy: -212.003 Base-Backbone interact. energy: 7.101 local terms energy: -290.641534 where: bonds (distance) C4'-P energy: -70.822 bonds (distance) P-C4' energy: -78.655 flat angles C4'-P-C4' energy: -76.821 flat angles P-C4'-P energy: -42.116 tors. eta vs tors. theta energy: -22.228 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: 8 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -506.277735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.277735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.277735 (E_RNA) where: Base-Base interactions energy: -238.684 where: short stacking energy: -140.638 Base-Backbone interact. energy: -0.407 local terms energy: -267.187344 where: bonds (distance) C4'-P energy: -76.330 bonds (distance) P-C4' energy: -83.847 flat angles C4'-P-C4' energy: -78.119 flat angles P-C4'-P energy: -42.594 tors. eta vs tors. theta energy: 13.703 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: 10, replica: 4 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -477.577721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.577721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.577721 (E_RNA) where: Base-Base interactions energy: -204.813 where: short stacking energy: -155.917 Base-Backbone interact. energy: -0.667 local terms energy: -272.096939 where: bonds (distance) C4'-P energy: -80.334 bonds (distance) P-C4' energy: -87.637 flat angles C4'-P-C4' energy: -68.867 flat angles P-C4'-P energy: -37.685 tors. eta vs tors. theta energy: 2.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1486.868925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.868925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.868925 (E_RNA) where: Base-Base interactions energy: -1000.005 where: short stacking energy: -461.396 Base-Backbone interact. energy: 4.026 local terms energy: -490.890172 where: bonds (distance) C4'-P energy: -96.475 bonds (distance) P-C4' energy: -93.964 flat angles C4'-P-C4' energy: -103.777 flat angles P-C4'-P energy: -61.502 tors. eta vs tors. theta energy: -135.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1366.806944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.806944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.806944 (E_RNA) where: Base-Base interactions energy: -890.964 where: short stacking energy: -398.401 Base-Backbone interact. energy: -1.601 local terms energy: -474.241932 where: bonds (distance) C4'-P energy: -90.604 bonds (distance) P-C4' energy: -96.952 flat angles C4'-P-C4' energy: -105.485 flat angles P-C4'-P energy: -64.070 tors. eta vs tors. theta energy: -117.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1294.685518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.685518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.685518 (E_RNA) where: Base-Base interactions energy: -827.745 where: short stacking energy: -402.347 Base-Backbone interact. energy: -2.289 local terms energy: -464.651190 where: bonds (distance) C4'-P energy: -100.880 bonds (distance) P-C4' energy: -94.288 flat angles C4'-P-C4' energy: -93.334 flat angles P-C4'-P energy: -58.327 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: 7 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1176.785529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.785529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.785529 (E_RNA) where: Base-Base interactions energy: -743.946 where: short stacking energy: -352.523 Base-Backbone interact. energy: -3.495 local terms energy: -429.343785 where: bonds (distance) C4'-P energy: -85.177 bonds (distance) P-C4' energy: -80.709 flat angles C4'-P-C4' energy: -99.994 flat angles P-C4'-P energy: -67.418 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: 5, replica: 3 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -1040.377193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.377193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.377193 (E_RNA) where: Base-Base interactions energy: -664.427 where: short stacking energy: -310.390 Base-Backbone interact. energy: 0.306 local terms energy: -376.255928 where: bonds (distance) C4'-P energy: -85.641 bonds (distance) P-C4' energy: -83.654 flat angles C4'-P-C4' energy: -89.148 flat angles P-C4'-P energy: -56.821 tors. eta vs tors. theta energy: -60.993 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: 10 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1009.854112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.854112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.854112 (E_RNA) where: Base-Base interactions energy: -626.213 where: short stacking energy: -308.761 Base-Backbone interact. energy: -0.028 local terms energy: -383.612857 where: bonds (distance) C4'-P energy: -84.920 bonds (distance) P-C4' energy: -86.004 flat angles C4'-P-C4' energy: -94.408 flat angles P-C4'-P energy: -45.702 tors. eta vs tors. theta energy: -72.580 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: 6 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -968.477863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.477863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.477863 (E_RNA) where: Base-Base interactions energy: -593.116 where: short stacking energy: -262.568 Base-Backbone interact. energy: -2.557 local terms energy: -372.804824 where: bonds (distance) C4'-P energy: -75.623 bonds (distance) P-C4' energy: -90.717 flat angles C4'-P-C4' energy: -84.919 flat angles P-C4'-P energy: -60.586 tors. eta vs tors. theta energy: -60.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -650.988629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.988629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.988629 (E_RNA) where: Base-Base interactions energy: -364.885 where: short stacking energy: -196.223 Base-Backbone interact. energy: -1.462 local terms energy: -284.641771 where: bonds (distance) C4'-P energy: -72.536 bonds (distance) P-C4' energy: -85.053 flat angles C4'-P-C4' energy: -68.328 flat angles P-C4'-P energy: -46.397 tors. eta vs tors. theta energy: -12.327 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: 380 Temperature: 1.300000 Total energy: -510.623167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.623167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.623167 (E_RNA) where: Base-Base interactions energy: -248.497 where: short stacking energy: -140.566 Base-Backbone interact. energy: -1.305 local terms energy: -260.821690 where: bonds (distance) C4'-P energy: -62.749 bonds (distance) P-C4' energy: -87.927 flat angles C4'-P-C4' energy: -72.376 flat angles P-C4'-P energy: -48.503 tors. eta vs tors. theta energy: 10.734 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: 8 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -491.312830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.312830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.312830 (E_RNA) where: Base-Base interactions energy: -218.183 where: short stacking energy: -131.250 Base-Backbone interact. energy: 5.779 local terms energy: -278.909011 where: bonds (distance) C4'-P energy: -88.741 bonds (distance) P-C4' energy: -79.021 flat angles C4'-P-C4' energy: -73.877 flat angles P-C4'-P energy: -42.472 tors. eta vs tors. theta energy: 5.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1538.164647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.164647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.164647 (E_RNA) where: Base-Base interactions energy: -1022.455 where: short stacking energy: -457.155 Base-Backbone interact. energy: 4.408 local terms energy: -520.117696 where: bonds (distance) C4'-P energy: -113.432 bonds (distance) P-C4' energy: -92.524 flat angles C4'-P-C4' energy: -104.759 flat angles P-C4'-P energy: -66.542 tors. eta vs tors. theta energy: -142.860 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: 2 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1361.627096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.627096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.627096 (E_RNA) where: Base-Base interactions energy: -884.657 where: short stacking energy: -413.001 Base-Backbone interact. energy: -0.184 local terms energy: -476.786900 where: bonds (distance) C4'-P energy: -88.932 bonds (distance) P-C4' energy: -95.863 flat angles C4'-P-C4' energy: -100.473 flat angles P-C4'-P energy: -60.023 tors. eta vs tors. theta energy: -131.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1294.705199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.705199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.705199 (E_RNA) where: Base-Base interactions energy: -858.659 where: short stacking energy: -401.881 Base-Backbone interact. energy: -2.980 local terms energy: -433.065454 where: bonds (distance) C4'-P energy: -87.916 bonds (distance) P-C4' energy: -78.875 flat angles C4'-P-C4' energy: -92.850 flat angles P-C4'-P energy: -60.457 tors. eta vs tors. theta energy: -112.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1224.386525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.386525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.386525 (E_RNA) where: Base-Base interactions energy: -771.958 where: short stacking energy: -387.423 Base-Backbone interact. energy: 2.811 local terms energy: -455.240006 where: bonds (distance) C4'-P energy: -95.587 bonds (distance) P-C4' energy: -97.698 flat angles C4'-P-C4' energy: -95.785 flat angles P-C4'-P energy: -61.114 tors. eta vs tors. theta energy: -105.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -1091.346375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.346375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.346375 (E_RNA) where: Base-Base interactions energy: -686.301 where: short stacking energy: -321.165 Base-Backbone interact. energy: 2.990 local terms energy: -408.035606 where: bonds (distance) C4'-P energy: -89.488 bonds (distance) P-C4' energy: -87.886 flat angles C4'-P-C4' energy: -93.544 flat angles P-C4'-P energy: -61.634 tors. eta vs tors. theta energy: -75.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1003.315533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.315533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.315533 (E_RNA) where: Base-Base interactions energy: -606.519 where: short stacking energy: -299.180 Base-Backbone interact. energy: -2.285 local terms energy: -394.511020 where: bonds (distance) C4'-P energy: -84.852 bonds (distance) P-C4' energy: -79.619 flat angles C4'-P-C4' energy: -88.416 flat angles P-C4'-P energy: -67.624 tors. eta vs tors. theta energy: -74.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -919.005101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.005101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.005101 (E_RNA) where: Base-Base interactions energy: -575.283 where: short stacking energy: -273.659 Base-Backbone interact. energy: 3.908 local terms energy: -347.630008 where: bonds (distance) C4'-P energy: -79.620 bonds (distance) P-C4' energy: -80.696 flat angles C4'-P-C4' energy: -84.588 flat angles P-C4'-P energy: -49.641 tors. eta vs tors. theta energy: -53.084 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: 1 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -727.349407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.349407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.349407 (E_RNA) where: Base-Base interactions energy: -391.981 where: short stacking energy: -189.751 Base-Backbone interact. energy: 2.648 local terms energy: -338.016890 where: bonds (distance) C4'-P energy: -78.383 bonds (distance) P-C4' energy: -97.780 flat angles C4'-P-C4' energy: -93.758 flat angles P-C4'-P energy: -39.295 tors. eta vs tors. theta energy: -28.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -558.033734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.033734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.033734 (E_RNA) where: Base-Base interactions energy: -273.990 where: short stacking energy: -187.878 Base-Backbone interact. energy: 0.897 local terms energy: -284.940484 where: bonds (distance) C4'-P energy: -68.928 bonds (distance) P-C4' energy: -82.432 flat angles C4'-P-C4' energy: -70.216 flat angles P-C4'-P energy: -51.539 tors. eta vs tors. theta energy: -11.825 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: 8 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -519.893519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.893519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.893519 (E_RNA) where: Base-Base interactions energy: -242.792 where: short stacking energy: -133.476 Base-Backbone interact. energy: -2.318 local terms energy: -274.783249 where: bonds (distance) C4'-P energy: -87.366 bonds (distance) P-C4' energy: -70.937 flat angles C4'-P-C4' energy: -71.028 flat angles P-C4'-P energy: -50.045 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: 1, replica: 9 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1538.385969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.385969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.385969 (E_RNA) where: Base-Base interactions energy: -1019.704 where: short stacking energy: -468.541 Base-Backbone interact. energy: -1.449 local terms energy: -517.232667 where: bonds (distance) C4'-P energy: -90.805 bonds (distance) P-C4' energy: -107.905 flat angles C4'-P-C4' energy: -107.114 flat angles P-C4'-P energy: -75.503 tors. eta vs tors. theta energy: -135.907 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: 2 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1365.855612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.855612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.855612 (E_RNA) where: Base-Base interactions energy: -876.091 where: short stacking energy: -391.002 Base-Backbone interact. energy: -2.116 local terms energy: -487.648499 where: bonds (distance) C4'-P energy: -94.991 bonds (distance) P-C4' energy: -100.253 flat angles C4'-P-C4' energy: -104.416 flat angles P-C4'-P energy: -68.507 tors. eta vs tors. theta energy: -119.481 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: 382 Temperature: 1.000000 Total energy: -1295.898822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.898822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.898822 (E_RNA) where: Base-Base interactions energy: -835.702 where: short stacking energy: -405.563 Base-Backbone interact. energy: -1.690 local terms energy: -458.506746 where: bonds (distance) C4'-P energy: -89.344 bonds (distance) P-C4' energy: -76.253 flat angles C4'-P-C4' energy: -100.598 flat angles P-C4'-P energy: -71.565 tors. eta vs tors. theta energy: -120.746 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: 7 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -1210.074248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.074248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.074248 (E_RNA) where: Base-Base interactions energy: -764.559 where: short stacking energy: -370.646 Base-Backbone interact. energy: -1.523 local terms energy: -443.992548 where: bonds (distance) C4'-P energy: -85.192 bonds (distance) P-C4' energy: -82.930 flat angles C4'-P-C4' energy: -105.108 flat angles P-C4'-P energy: -70.436 tors. eta vs tors. theta energy: -100.326 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: 5, replica: 3 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -1132.700623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.700623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.700623 (E_RNA) where: Base-Base interactions energy: -736.862 where: short stacking energy: -351.623 Base-Backbone interact. energy: -0.534 local terms energy: -395.304862 where: bonds (distance) C4'-P energy: -85.085 bonds (distance) P-C4' energy: -94.667 flat angles C4'-P-C4' energy: -84.425 flat angles P-C4'-P energy: -50.962 tors. eta vs tors. theta energy: -80.166 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: 10 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1058.991306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.991306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.991306 (E_RNA) where: Base-Base interactions energy: -639.749 where: short stacking energy: -299.357 Base-Backbone interact. energy: -1.730 local terms energy: -417.512807 where: bonds (distance) C4'-P energy: -84.572 bonds (distance) P-C4' energy: -91.532 flat angles C4'-P-C4' energy: -99.378 flat angles P-C4'-P energy: -66.358 tors. eta vs tors. theta energy: -75.672 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: 6 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -928.931035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.931035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.931035 (E_RNA) where: Base-Base interactions energy: -558.887 where: short stacking energy: -278.226 Base-Backbone interact. energy: 0.931 local terms energy: -370.974706 where: bonds (distance) C4'-P energy: -93.840 bonds (distance) P-C4' energy: -88.892 flat angles C4'-P-C4' energy: -72.543 flat angles P-C4'-P energy: -52.092 tors. eta vs tors. theta energy: -63.609 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: 1 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -756.146491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.146491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.146491 (E_RNA) where: Base-Base interactions energy: -424.756 where: short stacking energy: -217.565 Base-Backbone interact. energy: -1.806 local terms energy: -329.584060 where: bonds (distance) C4'-P energy: -79.451 bonds (distance) P-C4' energy: -84.472 flat angles C4'-P-C4' energy: -79.407 flat angles P-C4'-P energy: -50.876 tors. eta vs tors. theta energy: -35.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -529.087953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.087953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.087953 (E_RNA) where: Base-Base interactions energy: -247.980 where: short stacking energy: -139.769 Base-Backbone interact. energy: 0.917 local terms energy: -282.024580 where: bonds (distance) C4'-P energy: -76.123 bonds (distance) P-C4' energy: -84.271 flat angles C4'-P-C4' energy: -63.156 flat angles P-C4'-P energy: -57.134 tors. eta vs tors. theta energy: -1.340 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: 10, replica: 4 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -467.460601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.460601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.460601 (E_RNA) where: Base-Base interactions energy: -198.276 where: short stacking energy: -112.808 Base-Backbone interact. energy: 1.608 local terms energy: -270.793004 where: bonds (distance) C4'-P energy: -76.804 bonds (distance) P-C4' energy: -93.642 flat angles C4'-P-C4' energy: -64.611 flat angles P-C4'-P energy: -44.737 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: 1, replica: 9 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1485.617296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.617296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.617296 (E_RNA) where: Base-Base interactions energy: -999.569 where: short stacking energy: -431.638 Base-Backbone interact. energy: -3.304 local terms energy: -482.744326 where: bonds (distance) C4'-P energy: -91.542 bonds (distance) P-C4' energy: -93.748 flat angles C4'-P-C4' energy: -106.805 flat angles P-C4'-P energy: -63.424 tors. eta vs tors. theta energy: -127.225 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: 2 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1404.676015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.676015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.676015 (E_RNA) where: Base-Base interactions energy: -892.701 where: short stacking energy: -426.059 Base-Backbone interact. energy: -1.406 local terms energy: -510.568502 where: bonds (distance) C4'-P energy: -106.274 bonds (distance) P-C4' energy: -98.918 flat angles C4'-P-C4' energy: -100.624 flat angles P-C4'-P energy: -70.139 tors. eta vs tors. theta energy: -134.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1343.674849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.674849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.674849 (E_RNA) where: Base-Base interactions energy: -861.395 where: short stacking energy: -416.843 Base-Backbone interact. energy: -0.371 local terms energy: -481.908891 where: bonds (distance) C4'-P energy: -100.680 bonds (distance) P-C4' energy: -95.422 flat angles C4'-P-C4' energy: -91.640 flat angles P-C4'-P energy: -70.191 tors. eta vs tors. theta energy: -123.976 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: 7 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1145.575155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.575155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.575155 (E_RNA) where: Base-Base interactions energy: -737.590 where: short stacking energy: -347.359 Base-Backbone interact. energy: 0.628 local terms energy: -408.613280 where: bonds (distance) C4'-P energy: -87.178 bonds (distance) P-C4' energy: -79.503 flat angles C4'-P-C4' energy: -96.461 flat angles P-C4'-P energy: -53.267 tors. eta vs tors. theta energy: -92.204 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: 3 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -1076.626052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.626052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.626052 (E_RNA) where: Base-Base interactions energy: -666.770 where: short stacking energy: -312.004 Base-Backbone interact. energy: -2.502 local terms energy: -407.354061 where: bonds (distance) C4'-P energy: -89.412 bonds (distance) P-C4' energy: -82.135 flat angles C4'-P-C4' energy: -90.648 flat angles P-C4'-P energy: -67.945 tors. eta vs tors. theta energy: -77.214 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: 10 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -1060.150047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.150047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.150047 (E_RNA) where: Base-Base interactions energy: -663.991 where: short stacking energy: -314.745 Base-Backbone interact. energy: -1.268 local terms energy: -394.891679 where: bonds (distance) C4'-P energy: -70.437 bonds (distance) P-C4' energy: -83.404 flat angles C4'-P-C4' energy: -94.530 flat angles P-C4'-P energy: -62.360 tors. eta vs tors. theta energy: -84.161 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: 6 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -973.624262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.624262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.624262 (E_RNA) where: Base-Base interactions energy: -609.507 where: short stacking energy: -289.582 Base-Backbone interact. energy: 0.065 local terms energy: -364.181938 where: bonds (distance) C4'-P energy: -86.288 bonds (distance) P-C4' energy: -88.607 flat angles C4'-P-C4' energy: -71.024 flat angles P-C4'-P energy: -50.509 tors. eta vs tors. theta energy: -67.754 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: 8, replica: 1 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -732.045762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.045762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.045762 (E_RNA) where: Base-Base interactions energy: -414.785 where: short stacking energy: -214.883 Base-Backbone interact. energy: 0.993 local terms energy: -318.253417 where: bonds (distance) C4'-P energy: -74.572 bonds (distance) P-C4' energy: -77.590 flat angles C4'-P-C4' energy: -80.683 flat angles P-C4'-P energy: -45.833 tors. eta vs tors. theta energy: -39.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -546.341969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.341969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.341969 (E_RNA) where: Base-Base interactions energy: -259.186 where: short stacking energy: -167.267 Base-Backbone interact. energy: 4.864 local terms energy: -292.020653 where: bonds (distance) C4'-P energy: -88.922 bonds (distance) P-C4' energy: -83.391 flat angles C4'-P-C4' energy: -78.290 flat angles P-C4'-P energy: -38.525 tors. eta vs tors. theta energy: -2.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -530.097531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.097531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.097531 (E_RNA) where: Base-Base interactions energy: -255.863 where: short stacking energy: -159.010 Base-Backbone interact. energy: -1.958 local terms energy: -272.276380 where: bonds (distance) C4'-P energy: -74.050 bonds (distance) P-C4' energy: -78.239 flat angles C4'-P-C4' energy: -70.290 flat angles P-C4'-P energy: -50.912 tors. eta vs tors. theta energy: 1.214 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: 9 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1486.519222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.519222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.519222 (E_RNA) where: Base-Base interactions energy: -966.120 where: short stacking energy: -441.262 Base-Backbone interact. energy: 2.467 local terms energy: -522.866240 where: bonds (distance) C4'-P energy: -107.360 bonds (distance) P-C4' energy: -104.121 flat angles C4'-P-C4' energy: -103.361 flat angles P-C4'-P energy: -77.326 tors. eta vs tors. theta energy: -130.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1373.939055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.939055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.939055 (E_RNA) where: Base-Base interactions energy: -866.261 where: short stacking energy: -406.967 Base-Backbone interact. energy: -1.129 local terms energy: -506.548850 where: bonds (distance) C4'-P energy: -94.938 bonds (distance) P-C4' energy: -103.248 flat angles C4'-P-C4' energy: -112.017 flat angles P-C4'-P energy: -66.924 tors. eta vs tors. theta energy: -129.423 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: 5 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1317.736604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.736604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.736604 (E_RNA) where: Base-Base interactions energy: -860.884 where: short stacking energy: -401.868 Base-Backbone interact. energy: -1.312 local terms energy: -455.540345 where: bonds (distance) C4'-P energy: -91.905 bonds (distance) P-C4' energy: -85.034 flat angles C4'-P-C4' energy: -86.143 flat angles P-C4'-P energy: -68.565 tors. eta vs tors. theta energy: -123.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1193.360863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.360863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.360863 (E_RNA) where: Base-Base interactions energy: -757.738 where: short stacking energy: -364.573 Base-Backbone interact. energy: 6.079 local terms energy: -441.702038 where: bonds (distance) C4'-P energy: -89.835 bonds (distance) P-C4' energy: -93.102 flat angles C4'-P-C4' energy: -88.700 flat angles P-C4'-P energy: -66.364 tors. eta vs tors. theta energy: -103.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -1113.768358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.768358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.768358 (E_RNA) where: Base-Base interactions energy: -733.676 where: short stacking energy: -355.328 Base-Backbone interact. energy: -1.443 local terms energy: -378.649284 where: bonds (distance) C4'-P energy: -66.935 bonds (distance) P-C4' energy: -89.180 flat angles C4'-P-C4' energy: -73.932 flat angles P-C4'-P energy: -64.498 tors. eta vs tors. theta energy: -84.106 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: 10 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1093.414632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.414632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.414632 (E_RNA) where: Base-Base interactions energy: -694.560 where: short stacking energy: -340.224 Base-Backbone interact. energy: 0.594 local terms energy: -399.448653 where: bonds (distance) C4'-P energy: -85.538 bonds (distance) P-C4' energy: -68.541 flat angles C4'-P-C4' energy: -95.524 flat angles P-C4'-P energy: -53.155 tors. eta vs tors. theta energy: -96.691 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: 384 Temperature: 1.200000 Total energy: -935.428867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.428867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.428867 (E_RNA) where: Base-Base interactions energy: -567.613 where: short stacking energy: -278.666 Base-Backbone interact. energy: -1.609 local terms energy: -366.206335 where: bonds (distance) C4'-P energy: -80.819 bonds (distance) P-C4' energy: -82.228 flat angles C4'-P-C4' energy: -84.568 flat angles P-C4'-P energy: -50.593 tors. eta vs tors. theta energy: -67.998 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: 1 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -743.795911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.795911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.795911 (E_RNA) where: Base-Base interactions energy: -420.696 where: short stacking energy: -227.203 Base-Backbone interact. energy: -3.006 local terms energy: -320.093827 where: bonds (distance) C4'-P energy: -69.199 bonds (distance) P-C4' energy: -80.873 flat angles C4'-P-C4' energy: -76.239 flat angles P-C4'-P energy: -62.676 tors. eta vs tors. theta energy: -31.106 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: 9, replica: 8 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -557.700356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.700356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.700356 (E_RNA) where: Base-Base interactions energy: -301.815 where: short stacking energy: -181.381 Base-Backbone interact. energy: -0.076 local terms energy: -255.809167 where: bonds (distance) C4'-P energy: -62.576 bonds (distance) P-C4' energy: -70.203 flat angles C4'-P-C4' energy: -66.363 flat angles P-C4'-P energy: -40.312 tors. eta vs tors. theta energy: -16.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -524.189296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.189296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.189296 (E_RNA) where: Base-Base interactions energy: -268.132 where: short stacking energy: -150.971 Base-Backbone interact. energy: 2.251 local terms energy: -258.308150 where: bonds (distance) C4'-P energy: -87.817 bonds (distance) P-C4' energy: -78.665 flat angles C4'-P-C4' energy: -64.645 flat angles P-C4'-P energy: -36.672 tors. eta vs tors. theta energy: 9.491 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: 9 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1505.477902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.477902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.477902 (E_RNA) where: Base-Base interactions energy: -1012.504 where: short stacking energy: -436.722 Base-Backbone interact. energy: -3.063 local terms energy: -489.911063 where: bonds (distance) C4'-P energy: -90.628 bonds (distance) P-C4' energy: -97.158 flat angles C4'-P-C4' energy: -113.240 flat angles P-C4'-P energy: -66.522 tors. eta vs tors. theta energy: -122.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1368.234946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.234946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.234946 (E_RNA) where: Base-Base interactions energy: -880.940 where: short stacking energy: -375.576 Base-Backbone interact. energy: -2.764 local terms energy: -484.531277 where: bonds (distance) C4'-P energy: -97.802 bonds (distance) P-C4' energy: -97.169 flat angles C4'-P-C4' energy: -99.078 flat angles P-C4'-P energy: -76.117 tors. eta vs tors. theta energy: -114.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1315.980493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.980493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.980493 (E_RNA) where: Base-Base interactions energy: -862.895 where: short stacking energy: -379.060 Base-Backbone interact. energy: -1.937 local terms energy: -451.148369 where: bonds (distance) C4'-P energy: -87.514 bonds (distance) P-C4' energy: -89.059 flat angles C4'-P-C4' energy: -96.397 flat angles P-C4'-P energy: -65.776 tors. eta vs tors. theta energy: -112.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -1187.516378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.516378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.516378 (E_RNA) where: Base-Base interactions energy: -754.481 where: short stacking energy: -355.680 Base-Backbone interact. energy: 1.025 local terms energy: -434.060180 where: bonds (distance) C4'-P energy: -92.295 bonds (distance) P-C4' energy: -103.542 flat angles C4'-P-C4' energy: -90.191 flat angles P-C4'-P energy: -66.050 tors. eta vs tors. theta energy: -81.981 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: 3 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -1150.458074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.458074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.458074 (E_RNA) where: Base-Base interactions energy: -737.347 where: short stacking energy: -358.812 Base-Backbone interact. energy: 1.744 local terms energy: -414.855455 where: bonds (distance) C4'-P energy: -79.372 bonds (distance) P-C4' energy: -86.991 flat angles C4'-P-C4' energy: -101.486 flat angles P-C4'-P energy: -61.370 tors. eta vs tors. theta energy: -85.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1059.487447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.487447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.487447 (E_RNA) where: Base-Base interactions energy: -678.409 where: short stacking energy: -326.118 Base-Backbone interact. energy: -0.446 local terms energy: -380.632028 where: bonds (distance) C4'-P energy: -76.780 bonds (distance) P-C4' energy: -81.021 flat angles C4'-P-C4' energy: -92.205 flat angles P-C4'-P energy: -54.919 tors. eta vs tors. theta energy: -75.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -903.704846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.704846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.704846 (E_RNA) where: Base-Base interactions energy: -549.315 where: short stacking energy: -266.606 Base-Backbone interact. energy: -2.943 local terms energy: -351.446055 where: bonds (distance) C4'-P energy: -89.148 bonds (distance) P-C4' energy: -83.774 flat angles C4'-P-C4' energy: -90.448 flat angles P-C4'-P energy: -42.793 tors. eta vs tors. theta energy: -45.283 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: 1 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -756.310368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.310368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.310368 (E_RNA) where: Base-Base interactions energy: -455.608 where: short stacking energy: -201.181 Base-Backbone interact. energy: -1.350 local terms energy: -299.352732 where: bonds (distance) C4'-P energy: -76.782 bonds (distance) P-C4' energy: -78.806 flat angles C4'-P-C4' energy: -83.765 flat angles P-C4'-P energy: -42.305 tors. eta vs tors. theta energy: -17.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -600.397426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.397426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.397426 (E_RNA) where: Base-Base interactions energy: -305.602 where: short stacking energy: -172.359 Base-Backbone interact. energy: 1.774 local terms energy: -296.569646 where: bonds (distance) C4'-P energy: -65.367 bonds (distance) P-C4' energy: -80.845 flat angles C4'-P-C4' energy: -81.504 flat angles P-C4'-P energy: -55.501 tors. eta vs tors. theta energy: -13.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -525.590293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.590293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.590293 (E_RNA) where: Base-Base interactions energy: -250.120 where: short stacking energy: -133.827 Base-Backbone interact. energy: -3.112 local terms energy: -272.358449 where: bonds (distance) C4'-P energy: -75.789 bonds (distance) P-C4' energy: -82.856 flat angles C4'-P-C4' energy: -72.034 flat angles P-C4'-P energy: -35.004 tors. eta vs tors. theta energy: -6.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1524.692602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.692602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.692602 (E_RNA) where: Base-Base interactions energy: -1025.148 where: short stacking energy: -469.664 Base-Backbone interact. energy: -0.439 local terms energy: -499.106362 where: bonds (distance) C4'-P energy: -107.328 bonds (distance) P-C4' energy: -84.863 flat angles C4'-P-C4' energy: -103.767 flat angles P-C4'-P energy: -66.443 tors. eta vs tors. theta energy: -136.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1379.696117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.696117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.696117 (E_RNA) where: Base-Base interactions energy: -889.710 where: short stacking energy: -426.747 Base-Backbone interact. energy: -1.820 local terms energy: -488.165555 where: bonds (distance) C4'-P energy: -85.056 bonds (distance) P-C4' energy: -100.250 flat angles C4'-P-C4' energy: -108.721 flat angles P-C4'-P energy: -60.953 tors. eta vs tors. theta energy: -133.186 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: 5 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1300.731954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.731954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.731954 (E_RNA) where: Base-Base interactions energy: -859.192 where: short stacking energy: -378.196 Base-Backbone interact. energy: -2.556 local terms energy: -438.984590 where: bonds (distance) C4'-P energy: -76.250 bonds (distance) P-C4' energy: -92.315 flat angles C4'-P-C4' energy: -102.592 flat angles P-C4'-P energy: -60.080 tors. eta vs tors. theta energy: -107.748 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: 7 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -1184.486078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.486078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.486078 (E_RNA) where: Base-Base interactions energy: -759.491 where: short stacking energy: -372.284 Base-Backbone interact. energy: 1.571 local terms energy: -426.566022 where: bonds (distance) C4'-P energy: -92.228 bonds (distance) P-C4' energy: -86.382 flat angles C4'-P-C4' energy: -88.429 flat angles P-C4'-P energy: -55.958 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: 3 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -1114.688834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.688834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.688834 (E_RNA) where: Base-Base interactions energy: -719.766 where: short stacking energy: -355.243 Base-Backbone interact. energy: 0.693 local terms energy: -395.615227 where: bonds (distance) C4'-P energy: -74.979 bonds (distance) P-C4' energy: -92.926 flat angles C4'-P-C4' energy: -90.569 flat angles P-C4'-P energy: -55.859 tors. eta vs tors. theta energy: -81.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -1053.348819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.348819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.348819 (E_RNA) where: Base-Base interactions energy: -651.711 where: short stacking energy: -311.231 Base-Backbone interact. energy: -1.535 local terms energy: -400.102667 where: bonds (distance) C4'-P energy: -85.432 bonds (distance) P-C4' energy: -92.803 flat angles C4'-P-C4' energy: -85.730 flat angles P-C4'-P energy: -56.955 tors. eta vs tors. theta energy: -79.183 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: 7, replica: 6 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -935.438585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.438585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.438585 (E_RNA) where: Base-Base interactions energy: -582.028 where: short stacking energy: -256.701 Base-Backbone interact. energy: 1.371 local terms energy: -354.781318 where: bonds (distance) C4'-P energy: -71.909 bonds (distance) P-C4' energy: -80.563 flat angles C4'-P-C4' energy: -84.894 flat angles P-C4'-P energy: -47.575 tors. eta vs tors. theta energy: -69.840 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: 1 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -803.592028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.592028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.592028 (E_RNA) where: Base-Base interactions energy: -472.173 where: short stacking energy: -232.434 Base-Backbone interact. energy: -3.644 local terms energy: -327.774882 where: bonds (distance) C4'-P energy: -74.750 bonds (distance) P-C4' energy: -89.433 flat angles C4'-P-C4' energy: -67.337 flat angles P-C4'-P energy: -58.437 tors. eta vs tors. theta energy: -37.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -554.498837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.498837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.498837 (E_RNA) where: Base-Base interactions energy: -283.542 where: short stacking energy: -175.751 Base-Backbone interact. energy: -1.003 local terms energy: -269.953999 where: bonds (distance) C4'-P energy: -78.023 bonds (distance) P-C4' energy: -75.971 flat angles C4'-P-C4' energy: -69.029 flat angles P-C4'-P energy: -47.228 tors. eta vs tors. theta energy: 0.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -558.864993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.864993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.864993 (E_RNA) where: Base-Base interactions energy: -304.079 where: short stacking energy: -161.055 Base-Backbone interact. energy: -2.442 local terms energy: -252.344299 where: bonds (distance) C4'-P energy: -59.172 bonds (distance) P-C4' energy: -81.309 flat angles C4'-P-C4' energy: -61.211 flat angles P-C4'-P energy: -32.720 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: 1, replica: 9 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1526.540515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.540515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.540515 (E_RNA) where: Base-Base interactions energy: -1011.360 where: short stacking energy: -452.198 Base-Backbone interact. energy: 0.679 local terms energy: -515.860247 where: bonds (distance) C4'-P energy: -105.007 bonds (distance) P-C4' energy: -107.994 flat angles C4'-P-C4' energy: -108.584 flat angles P-C4'-P energy: -64.792 tors. eta vs tors. theta energy: -129.483 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: 5 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1357.179772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.179772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.179772 (E_RNA) where: Base-Base interactions energy: -865.098 where: short stacking energy: -417.438 Base-Backbone interact. energy: -1.671 local terms energy: -490.410539 where: bonds (distance) C4'-P energy: -89.703 bonds (distance) P-C4' energy: -92.038 flat angles C4'-P-C4' energy: -108.239 flat angles P-C4'-P energy: -78.379 tors. eta vs tors. theta energy: -122.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1358.513026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.513026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.513026 (E_RNA) where: Base-Base interactions energy: -893.521 where: short stacking energy: -414.099 Base-Backbone interact. energy: -3.178 local terms energy: -461.814106 where: bonds (distance) C4'-P energy: -85.367 bonds (distance) P-C4' energy: -87.200 flat angles C4'-P-C4' energy: -100.562 flat angles P-C4'-P energy: -74.052 tors. eta vs tors. theta energy: -114.633 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: 4, replica: 7 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -1202.403766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.403766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.403766 (E_RNA) where: Base-Base interactions energy: -769.101 where: short stacking energy: -381.821 Base-Backbone interact. energy: -0.326 local terms energy: -432.977287 where: bonds (distance) C4'-P energy: -82.402 bonds (distance) P-C4' energy: -92.328 flat angles C4'-P-C4' energy: -94.006 flat angles P-C4'-P energy: -62.584 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: 5, replica: 3 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -1101.067395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.067395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.067395 (E_RNA) where: Base-Base interactions energy: -691.066 where: short stacking energy: -336.036 Base-Backbone interact. energy: -1.518 local terms energy: -408.483354 where: bonds (distance) C4'-P energy: -76.589 bonds (distance) P-C4' energy: -93.789 flat angles C4'-P-C4' energy: -91.709 flat angles P-C4'-P energy: -59.470 tors. eta vs tors. theta energy: -86.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1055.067193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.067193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.067193 (E_RNA) where: Base-Base interactions energy: -668.040 where: short stacking energy: -305.925 Base-Backbone interact. energy: -0.176 local terms energy: -386.851504 where: bonds (distance) C4'-P energy: -91.523 bonds (distance) P-C4' energy: -87.751 flat angles C4'-P-C4' energy: -90.544 flat angles P-C4'-P energy: -35.797 tors. eta vs tors. theta energy: -81.237 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: 387 Temperature: 1.200000 Total energy: -920.119098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.119098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.119098 (E_RNA) where: Base-Base interactions energy: -575.040 where: short stacking energy: -256.394 Base-Backbone interact. energy: -1.212 local terms energy: -343.866925 where: bonds (distance) C4'-P energy: -70.116 bonds (distance) P-C4' energy: -75.219 flat angles C4'-P-C4' energy: -95.183 flat angles P-C4'-P energy: -54.570 tors. eta vs tors. theta energy: -48.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -824.130254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.130254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.130254 (E_RNA) where: Base-Base interactions energy: -472.872 where: short stacking energy: -231.667 Base-Backbone interact. energy: -1.848 local terms energy: -349.410418 where: bonds (distance) C4'-P energy: -90.556 bonds (distance) P-C4' energy: -92.988 flat angles C4'-P-C4' energy: -79.196 flat angles P-C4'-P energy: -51.185 tors. eta vs tors. theta energy: -35.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -567.659625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.659625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.659625 (E_RNA) where: Base-Base interactions energy: -278.137 where: short stacking energy: -159.605 Base-Backbone interact. energy: 2.511 local terms energy: -292.034140 where: bonds (distance) C4'-P energy: -67.478 bonds (distance) P-C4' energy: -89.907 flat angles C4'-P-C4' energy: -70.929 flat angles P-C4'-P energy: -50.416 tors. eta vs tors. theta energy: -13.304 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: 4 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -530.670883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.670883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.670883 (E_RNA) where: Base-Base interactions energy: -271.947 where: short stacking energy: -142.252 Base-Backbone interact. energy: 1.086 local terms energy: -259.809871 where: bonds (distance) C4'-P energy: -79.501 bonds (distance) P-C4' energy: -76.068 flat angles C4'-P-C4' energy: -76.558 flat angles P-C4'-P energy: -30.112 tors. eta vs tors. theta energy: 2.430 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: 9 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1533.538244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.538244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.538244 (E_RNA) where: Base-Base interactions energy: -1052.267 where: short stacking energy: -490.562 Base-Backbone interact. energy: -3.624 local terms energy: -477.647277 where: bonds (distance) C4'-P energy: -89.044 bonds (distance) P-C4' energy: -93.598 flat angles C4'-P-C4' energy: -94.067 flat angles P-C4'-P energy: -67.838 tors. eta vs tors. theta energy: -133.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1357.852840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.852840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.852840 (E_RNA) where: Base-Base interactions energy: -893.955 where: short stacking energy: -414.714 Base-Backbone interact. energy: -1.381 local terms energy: -462.516764 where: bonds (distance) C4'-P energy: -85.250 bonds (distance) P-C4' energy: -100.283 flat angles C4'-P-C4' energy: -97.417 flat angles P-C4'-P energy: -55.609 tors. eta vs tors. theta energy: -123.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1259.066337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.066337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.066337 (E_RNA) where: Base-Base interactions energy: -806.215 where: short stacking energy: -392.642 Base-Backbone interact. energy: 0.829 local terms energy: -453.680708 where: bonds (distance) C4'-P energy: -85.719 bonds (distance) P-C4' energy: -87.216 flat angles C4'-P-C4' energy: -107.318 flat angles P-C4'-P energy: -63.600 tors. eta vs tors. theta energy: -109.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1302.027974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.027974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.027974 (E_RNA) where: Base-Base interactions energy: -835.244 where: short stacking energy: -374.188 Base-Backbone interact. energy: -1.019 local terms energy: -465.765278 where: bonds (distance) C4'-P energy: -81.642 bonds (distance) P-C4' energy: -86.259 flat angles C4'-P-C4' energy: -99.571 flat angles P-C4'-P energy: -70.878 tors. eta vs tors. theta energy: -127.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -1116.961541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.961541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.961541 (E_RNA) where: Base-Base interactions energy: -702.202 where: short stacking energy: -327.186 Base-Backbone interact. energy: 1.142 local terms energy: -415.901695 where: bonds (distance) C4'-P energy: -88.326 bonds (distance) P-C4' energy: -101.101 flat angles C4'-P-C4' energy: -85.281 flat angles P-C4'-P energy: -56.757 tors. eta vs tors. theta energy: -84.436 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: 6, replica: 3 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1067.586302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.586302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.586302 (E_RNA) where: Base-Base interactions energy: -674.034 where: short stacking energy: -328.693 Base-Backbone interact. energy: -1.578 local terms energy: -391.974621 where: bonds (distance) C4'-P energy: -79.882 bonds (distance) P-C4' energy: -68.842 flat angles C4'-P-C4' energy: -99.523 flat angles P-C4'-P energy: -66.032 tors. eta vs tors. theta energy: -77.696 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: 6 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -876.509393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.509393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.509393 (E_RNA) where: Base-Base interactions energy: -538.522 where: short stacking energy: -259.050 Base-Backbone interact. energy: 4.584 local terms energy: -342.571086 where: bonds (distance) C4'-P energy: -76.075 bonds (distance) P-C4' energy: -77.894 flat angles C4'-P-C4' energy: -83.651 flat angles P-C4'-P energy: -44.627 tors. eta vs tors. theta energy: -60.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -828.938831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.938831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.938831 (E_RNA) where: Base-Base interactions energy: -493.080 where: short stacking energy: -242.917 Base-Backbone interact. energy: -0.245 local terms energy: -335.613890 where: bonds (distance) C4'-P energy: -83.015 bonds (distance) P-C4' energy: -80.755 flat angles C4'-P-C4' energy: -89.240 flat angles P-C4'-P energy: -46.703 tors. eta vs tors. theta energy: -35.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -566.367409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.367409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.367409 (E_RNA) where: Base-Base interactions energy: -296.527 where: short stacking energy: -168.229 Base-Backbone interact. energy: 0.572 local terms energy: -270.412837 where: bonds (distance) C4'-P energy: -59.201 bonds (distance) P-C4' energy: -85.934 flat angles C4'-P-C4' energy: -71.836 flat angles P-C4'-P energy: -43.310 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: 10, replica: 8 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -511.954908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.954908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.954908 (E_RNA) where: Base-Base interactions energy: -257.579 where: short stacking energy: -150.333 Base-Backbone interact. energy: 2.278 local terms energy: -256.654246 where: bonds (distance) C4'-P energy: -85.915 bonds (distance) P-C4' energy: -73.266 flat angles C4'-P-C4' energy: -74.132 flat angles P-C4'-P energy: -33.941 tors. eta vs tors. theta energy: 10.599 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: 1, replica: 9 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1530.199472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.199472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.199472 (E_RNA) where: Base-Base interactions energy: -1007.743 where: short stacking energy: -470.454 Base-Backbone interact. energy: -1.581 local terms energy: -520.875228 where: bonds (distance) C4'-P energy: -93.324 bonds (distance) P-C4' energy: -97.492 flat angles C4'-P-C4' energy: -109.084 flat angles P-C4'-P energy: -73.913 tors. eta vs tors. theta energy: -147.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1363.097300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.097300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.097300 (E_RNA) where: Base-Base interactions energy: -901.604 where: short stacking energy: -448.248 Base-Backbone interact. energy: -0.629 local terms energy: -460.863993 where: bonds (distance) C4'-P energy: -88.161 bonds (distance) P-C4' energy: -76.712 flat angles C4'-P-C4' energy: -105.212 flat angles P-C4'-P energy: -62.746 tors. eta vs tors. theta energy: -128.034 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: 7 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1289.189088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.189088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.189088 (E_RNA) where: Base-Base interactions energy: -824.223 where: short stacking energy: -408.245 Base-Backbone interact. energy: 0.321 local terms energy: -465.287663 where: bonds (distance) C4'-P energy: -79.634 bonds (distance) P-C4' energy: -94.349 flat angles C4'-P-C4' energy: -93.565 flat angles P-C4'-P energy: -82.319 tors. eta vs tors. theta energy: -115.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -1298.635597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.635597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.635597 (E_RNA) where: Base-Base interactions energy: -832.870 where: short stacking energy: -396.887 Base-Backbone interact. energy: -2.951 local terms energy: -462.815519 where: bonds (distance) C4'-P energy: -93.827 bonds (distance) P-C4' energy: -92.956 flat angles C4'-P-C4' energy: -99.158 flat angles P-C4'-P energy: -58.328 tors. eta vs tors. theta energy: -118.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -1110.469067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.469067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.469067 (E_RNA) where: Base-Base interactions energy: -688.847 where: short stacking energy: -318.678 Base-Backbone interact. energy: -1.061 local terms energy: -420.561371 where: bonds (distance) C4'-P energy: -89.885 bonds (distance) P-C4' energy: -84.238 flat angles C4'-P-C4' energy: -87.925 flat angles P-C4'-P energy: -66.697 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: 6, replica: 3 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -1038.946705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.946705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.946705 (E_RNA) where: Base-Base interactions energy: -622.902 where: short stacking energy: -299.287 Base-Backbone interact. energy: -0.773 local terms energy: -415.272229 where: bonds (distance) C4'-P energy: -91.171 bonds (distance) P-C4' energy: -84.855 flat angles C4'-P-C4' energy: -90.136 flat angles P-C4'-P energy: -72.825 tors. eta vs tors. theta energy: -76.285 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: 7, replica: 6 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -943.918837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.918837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.918837 (E_RNA) where: Base-Base interactions energy: -612.765 where: short stacking energy: -286.359 Base-Backbone interact. energy: -1.205 local terms energy: -329.948729 where: bonds (distance) C4'-P energy: -81.905 bonds (distance) P-C4' energy: -57.257 flat angles C4'-P-C4' energy: -77.318 flat angles P-C4'-P energy: -52.915 tors. eta vs tors. theta energy: -60.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -800.910835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.910835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.910835 (E_RNA) where: Base-Base interactions energy: -468.891 where: short stacking energy: -226.260 Base-Backbone interact. energy: -1.005 local terms energy: -331.015366 where: bonds (distance) C4'-P energy: -83.542 bonds (distance) P-C4' energy: -77.430 flat angles C4'-P-C4' energy: -79.714 flat angles P-C4'-P energy: -48.337 tors. eta vs tors. theta energy: -41.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -577.795406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.795406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.795406 (E_RNA) where: Base-Base interactions energy: -308.666 where: short stacking energy: -154.067 Base-Backbone interact. energy: -0.211 local terms energy: -268.918202 where: bonds (distance) C4'-P energy: -67.996 bonds (distance) P-C4' energy: -80.487 flat angles C4'-P-C4' energy: -83.644 flat angles P-C4'-P energy: -45.720 tors. eta vs tors. theta energy: 8.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -541.308645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.308645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.308645 (E_RNA) where: Base-Base interactions energy: -265.023 where: short stacking energy: -144.628 Base-Backbone interact. energy: -0.685 local terms energy: -275.600132 where: bonds (distance) C4'-P energy: -89.467 bonds (distance) P-C4' energy: -87.138 flat angles C4'-P-C4' energy: -69.095 flat angles P-C4'-P energy: -23.058 tors. eta vs tors. theta energy: -6.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1521.194023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.194023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.194023 (E_RNA) where: Base-Base interactions energy: -1026.461 where: short stacking energy: -469.615 Base-Backbone interact. energy: -2.122 local terms energy: -492.610791 where: bonds (distance) C4'-P energy: -82.457 bonds (distance) P-C4' energy: -96.259 flat angles C4'-P-C4' energy: -96.176 flat angles P-C4'-P energy: -78.497 tors. eta vs tors. theta energy: -139.223 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: 5 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1352.064014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.064014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.064014 (E_RNA) where: Base-Base interactions energy: -874.619 where: short stacking energy: -413.031 Base-Backbone interact. energy: -2.484 local terms energy: -474.961056 where: bonds (distance) C4'-P energy: -105.158 bonds (distance) P-C4' energy: -92.574 flat angles C4'-P-C4' energy: -99.052 flat angles P-C4'-P energy: -61.699 tors. eta vs tors. theta energy: -116.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1286.462461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.462461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.462461 (E_RNA) where: Base-Base interactions energy: -819.626 where: short stacking energy: -406.655 Base-Backbone interact. energy: 0.274 local terms energy: -467.110076 where: bonds (distance) C4'-P energy: -89.332 bonds (distance) P-C4' energy: -97.141 flat angles C4'-P-C4' energy: -100.318 flat angles P-C4'-P energy: -63.546 tors. eta vs tors. theta energy: -116.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -1273.355613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.355613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.355613 (E_RNA) where: Base-Base interactions energy: -836.427 where: short stacking energy: -378.580 Base-Backbone interact. energy: -1.929 local terms energy: -434.999907 where: bonds (distance) C4'-P energy: -85.682 bonds (distance) P-C4' energy: -76.054 flat angles C4'-P-C4' energy: -98.404 flat angles P-C4'-P energy: -64.510 tors. eta vs tors. theta energy: -110.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -1088.722453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.722453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.722453 (E_RNA) where: Base-Base interactions energy: -694.266 where: short stacking energy: -318.700 Base-Backbone interact. energy: 0.210 local terms energy: -394.667179 where: bonds (distance) C4'-P energy: -98.135 bonds (distance) P-C4' energy: -91.223 flat angles C4'-P-C4' energy: -79.330 flat angles P-C4'-P energy: -56.472 tors. eta vs tors. theta energy: -69.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1041.257070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.257070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.257070 (E_RNA) where: Base-Base interactions energy: -664.290 where: short stacking energy: -307.628 Base-Backbone interact. energy: -1.554 local terms energy: -375.413225 where: bonds (distance) C4'-P energy: -79.561 bonds (distance) P-C4' energy: -87.258 flat angles C4'-P-C4' energy: -81.603 flat angles P-C4'-P energy: -54.629 tors. eta vs tors. theta energy: -72.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -961.331323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.331323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.331323 (E_RNA) where: Base-Base interactions energy: -604.046 where: short stacking energy: -282.765 Base-Backbone interact. energy: -0.964 local terms energy: -356.321826 where: bonds (distance) C4'-P energy: -66.257 bonds (distance) P-C4' energy: -82.904 flat angles C4'-P-C4' energy: -82.794 flat angles P-C4'-P energy: -57.136 tors. eta vs tors. theta energy: -67.230 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: 1 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -786.726951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.726951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.726951 (E_RNA) where: Base-Base interactions energy: -474.404 where: short stacking energy: -235.690 Base-Backbone interact. energy: -0.154 local terms energy: -312.168631 where: bonds (distance) C4'-P energy: -52.246 bonds (distance) P-C4' energy: -100.387 flat angles C4'-P-C4' energy: -67.951 flat angles P-C4'-P energy: -59.622 tors. eta vs tors. theta energy: -31.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -628.460915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.460915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.460915 (E_RNA) where: Base-Base interactions energy: -316.533 where: short stacking energy: -182.592 Base-Backbone interact. energy: 2.230 local terms energy: -314.157820 where: bonds (distance) C4'-P energy: -78.161 bonds (distance) P-C4' energy: -83.764 flat angles C4'-P-C4' energy: -73.830 flat angles P-C4'-P energy: -50.585 tors. eta vs tors. theta energy: -27.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -557.139391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.139391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.139391 (E_RNA) where: Base-Base interactions energy: -256.836 where: short stacking energy: -132.635 Base-Backbone interact. energy: -0.141 local terms energy: -300.162658 where: bonds (distance) C4'-P energy: -80.650 bonds (distance) P-C4' energy: -97.449 flat angles C4'-P-C4' energy: -73.226 flat angles P-C4'-P energy: -43.465 tors. eta vs tors. theta energy: -5.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1478.384393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.384393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.384393 (E_RNA) where: Base-Base interactions energy: -975.563 where: short stacking energy: -437.683 Base-Backbone interact. energy: 3.485 local terms energy: -506.306645 where: bonds (distance) C4'-P energy: -95.306 bonds (distance) P-C4' energy: -103.544 flat angles C4'-P-C4' energy: -99.248 flat angles P-C4'-P energy: -67.451 tors. eta vs tors. theta energy: -140.758 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: 2, replica: 5 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1377.169203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.169203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.169203 (E_RNA) where: Base-Base interactions energy: -916.218 where: short stacking energy: -420.680 Base-Backbone interact. energy: -1.107 local terms energy: -459.844456 where: bonds (distance) C4'-P energy: -88.804 bonds (distance) P-C4' energy: -87.096 flat angles C4'-P-C4' energy: -89.443 flat angles P-C4'-P energy: -75.622 tors. eta vs tors. theta energy: -118.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1266.265425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.265425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.265425 (E_RNA) where: Base-Base interactions energy: -796.441 where: short stacking energy: -382.669 Base-Backbone interact. energy: -1.000 local terms energy: -468.823880 where: bonds (distance) C4'-P energy: -87.845 bonds (distance) P-C4' energy: -105.889 flat angles C4'-P-C4' energy: -101.499 flat angles P-C4'-P energy: -63.078 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: 2 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -1294.650703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.650703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.650703 (E_RNA) where: Base-Base interactions energy: -859.704 where: short stacking energy: -411.458 Base-Backbone interact. energy: -3.134 local terms energy: -431.812726 where: bonds (distance) C4'-P energy: -88.877 bonds (distance) P-C4' energy: -80.538 flat angles C4'-P-C4' energy: -92.499 flat angles P-C4'-P energy: -48.248 tors. eta vs tors. theta energy: -121.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1088.239978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.239978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.239978 (E_RNA) where: Base-Base interactions energy: -679.682 where: short stacking energy: -312.999 Base-Backbone interact. energy: -0.353 local terms energy: -408.204953 where: bonds (distance) C4'-P energy: -73.924 bonds (distance) P-C4' energy: -89.610 flat angles C4'-P-C4' energy: -93.646 flat angles P-C4'-P energy: -73.879 tors. eta vs tors. theta energy: -77.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1073.072077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.072077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.072077 (E_RNA) where: Base-Base interactions energy: -684.458 where: short stacking energy: -311.190 Base-Backbone interact. energy: -2.543 local terms energy: -386.071113 where: bonds (distance) C4'-P energy: -76.119 bonds (distance) P-C4' energy: -100.386 flat angles C4'-P-C4' energy: -89.463 flat angles P-C4'-P energy: -44.779 tors. eta vs tors. theta energy: -75.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -968.694683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.694683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.694683 (E_RNA) where: Base-Base interactions energy: -584.495 where: short stacking energy: -264.134 Base-Backbone interact. energy: -3.484 local terms energy: -380.715877 where: bonds (distance) C4'-P energy: -92.717 bonds (distance) P-C4' energy: -83.918 flat angles C4'-P-C4' energy: -76.281 flat angles P-C4'-P energy: -63.381 tors. eta vs tors. theta energy: -64.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -800.857280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.857280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.857280 (E_RNA) where: Base-Base interactions energy: -513.653 where: short stacking energy: -233.975 Base-Backbone interact. energy: -1.424 local terms energy: -285.780575 where: bonds (distance) C4'-P energy: -68.500 bonds (distance) P-C4' energy: -67.417 flat angles C4'-P-C4' energy: -70.511 flat angles P-C4'-P energy: -45.393 tors. eta vs tors. theta energy: -33.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -518.271461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.271461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.271461 (E_RNA) where: Base-Base interactions energy: -235.033 where: short stacking energy: -130.648 Base-Backbone interact. energy: -1.639 local terms energy: -281.599953 where: bonds (distance) C4'-P energy: -73.348 bonds (distance) P-C4' energy: -86.510 flat angles C4'-P-C4' energy: -68.356 flat angles P-C4'-P energy: -49.818 tors. eta vs tors. theta energy: -3.568 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: 10, replica: 4 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -518.477189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.477189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.477189 (E_RNA) where: Base-Base interactions energy: -240.636 where: short stacking energy: -164.031 Base-Backbone interact. energy: 3.954 local terms energy: -281.794992 where: bonds (distance) C4'-P energy: -73.454 bonds (distance) P-C4' energy: -85.359 flat angles C4'-P-C4' energy: -67.218 flat angles P-C4'-P energy: -36.118 tors. eta vs tors. theta energy: -19.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1506.591633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.591633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.591633 (E_RNA) where: Base-Base interactions energy: -1010.693 where: short stacking energy: -456.933 Base-Backbone interact. energy: -4.207 local terms energy: -491.691130 where: bonds (distance) C4'-P energy: -91.072 bonds (distance) P-C4' energy: -93.216 flat angles C4'-P-C4' energy: -100.133 flat angles P-C4'-P energy: -70.919 tors. eta vs tors. theta energy: -136.351 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: 5 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1382.933389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.933389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.933389 (E_RNA) where: Base-Base interactions energy: -908.956 where: short stacking energy: -443.591 Base-Backbone interact. energy: -0.217 local terms energy: -473.759776 where: bonds (distance) C4'-P energy: -85.913 bonds (distance) P-C4' energy: -90.418 flat angles C4'-P-C4' energy: -105.259 flat angles P-C4'-P energy: -72.977 tors. eta vs tors. theta energy: -119.192 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: 2 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1259.166150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.166150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.166150 (E_RNA) where: Base-Base interactions energy: -800.727 where: short stacking energy: -351.503 Base-Backbone interact. energy: -0.544 local terms energy: -457.895421 where: bonds (distance) C4'-P energy: -90.240 bonds (distance) P-C4' energy: -105.766 flat angles C4'-P-C4' energy: -101.859 flat angles P-C4'-P energy: -65.062 tors. eta vs tors. theta energy: -94.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1187.058836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.058836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.058836 (E_RNA) where: Base-Base interactions energy: -750.841 where: short stacking energy: -355.718 Base-Backbone interact. energy: -1.990 local terms energy: -434.228567 where: bonds (distance) C4'-P energy: -93.577 bonds (distance) P-C4' energy: -84.594 flat angles C4'-P-C4' energy: -95.988 flat angles P-C4'-P energy: -64.999 tors. eta vs tors. theta energy: -95.070 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: 10 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -1109.856320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.856320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.856320 (E_RNA) where: Base-Base interactions energy: -703.180 where: short stacking energy: -330.163 Base-Backbone interact. energy: -1.865 local terms energy: -404.811187 where: bonds (distance) C4'-P energy: -88.202 bonds (distance) P-C4' energy: -91.913 flat angles C4'-P-C4' energy: -93.838 flat angles P-C4'-P energy: -54.700 tors. eta vs tors. theta energy: -76.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -1038.840945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.840945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.840945 (E_RNA) where: Base-Base interactions energy: -667.591 where: short stacking energy: -306.408 Base-Backbone interact. energy: -0.396 local terms energy: -370.853977 where: bonds (distance) C4'-P energy: -87.904 bonds (distance) P-C4' energy: -85.299 flat angles C4'-P-C4' energy: -76.738 flat angles P-C4'-P energy: -53.541 tors. eta vs tors. theta energy: -67.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1001.055918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.055918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.055918 (E_RNA) where: Base-Base interactions energy: -632.049 where: short stacking energy: -301.207 Base-Backbone interact. energy: -2.431 local terms energy: -366.575996 where: bonds (distance) C4'-P energy: -77.873 bonds (distance) P-C4' energy: -77.646 flat angles C4'-P-C4' energy: -82.511 flat angles P-C4'-P energy: -49.633 tors. eta vs tors. theta energy: -78.913 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: 8, replica: 1 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -828.309436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.309436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.309436 (E_RNA) where: Base-Base interactions energy: -526.673 where: short stacking energy: -254.917 Base-Backbone interact. energy: 6.290 local terms energy: -307.926368 where: bonds (distance) C4'-P energy: -70.143 bonds (distance) P-C4' energy: -88.267 flat angles C4'-P-C4' energy: -78.334 flat angles P-C4'-P energy: -34.429 tors. eta vs tors. theta energy: -36.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -528.600650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.600650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.600650 (E_RNA) where: Base-Base interactions energy: -256.189 where: short stacking energy: -147.822 Base-Backbone interact. energy: -2.101 local terms energy: -270.309848 where: bonds (distance) C4'-P energy: -75.688 bonds (distance) P-C4' energy: -81.820 flat angles C4'-P-C4' energy: -69.584 flat angles P-C4'-P energy: -32.639 tors. eta vs tors. theta energy: -10.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -467.859395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.859395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.859395 (E_RNA) where: Base-Base interactions energy: -228.202 where: short stacking energy: -150.631 Base-Backbone interact. energy: 1.307 local terms energy: -240.964141 where: bonds (distance) C4'-P energy: -83.137 bonds (distance) P-C4' energy: -69.175 flat angles C4'-P-C4' energy: -66.383 flat angles P-C4'-P energy: -37.429 tors. eta vs tors. theta energy: 15.160 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: 9 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1493.659171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.659171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.659171 (E_RNA) where: Base-Base interactions energy: -993.982 where: short stacking energy: -474.588 Base-Backbone interact. energy: -2.805 local terms energy: -496.871768 where: bonds (distance) C4'-P energy: -89.442 bonds (distance) P-C4' energy: -99.111 flat angles C4'-P-C4' energy: -96.966 flat angles P-C4'-P energy: -76.382 tors. eta vs tors. theta energy: -134.971 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: 5 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1386.750238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.750238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.750238 (E_RNA) where: Base-Base interactions energy: -904.414 where: short stacking energy: -415.366 Base-Backbone interact. energy: -1.010 local terms energy: -481.326411 where: bonds (distance) C4'-P energy: -96.232 bonds (distance) P-C4' energy: -94.777 flat angles C4'-P-C4' energy: -99.219 flat angles P-C4'-P energy: -71.300 tors. eta vs tors. theta energy: -119.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1296.102166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.102166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.102166 (E_RNA) where: Base-Base interactions energy: -856.927 where: short stacking energy: -392.119 Base-Backbone interact. energy: -0.408 local terms energy: -438.767214 where: bonds (distance) C4'-P energy: -70.477 bonds (distance) P-C4' energy: -94.218 flat angles C4'-P-C4' energy: -96.427 flat angles P-C4'-P energy: -62.587 tors. eta vs tors. theta energy: -115.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -1195.087006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.087006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.087006 (E_RNA) where: Base-Base interactions energy: -783.481 where: short stacking energy: -358.646 Base-Backbone interact. energy: -1.771 local terms energy: -409.835003 where: bonds (distance) C4'-P energy: -74.775 bonds (distance) P-C4' energy: -89.946 flat angles C4'-P-C4' energy: -87.096 flat angles P-C4'-P energy: -65.573 tors. eta vs tors. theta energy: -92.444 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: 10 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -1117.202268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.202268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.202268 (E_RNA) where: Base-Base interactions energy: -707.095 where: short stacking energy: -343.231 Base-Backbone interact. energy: -2.720 local terms energy: -407.388044 where: bonds (distance) C4'-P energy: -90.949 bonds (distance) P-C4' energy: -82.623 flat angles C4'-P-C4' energy: -93.322 flat angles P-C4'-P energy: -58.562 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: 6, replica: 3 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1074.620742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.620742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.620742 (E_RNA) where: Base-Base interactions energy: -682.949 where: short stacking energy: -332.221 Base-Backbone interact. energy: -2.666 local terms energy: -389.005413 where: bonds (distance) C4'-P energy: -83.700 bonds (distance) P-C4' energy: -84.015 flat angles C4'-P-C4' energy: -85.685 flat angles P-C4'-P energy: -57.976 tors. eta vs tors. theta energy: -77.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -963.008820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.008820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.008820 (E_RNA) where: Base-Base interactions energy: -617.407 where: short stacking energy: -307.572 Base-Backbone interact. energy: 2.496 local terms energy: -348.097830 where: bonds (distance) C4'-P energy: -69.184 bonds (distance) P-C4' energy: -82.315 flat angles C4'-P-C4' energy: -82.789 flat angles P-C4'-P energy: -47.336 tors. eta vs tors. theta energy: -66.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -840.669552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.669552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.669552 (E_RNA) where: Base-Base interactions energy: -501.074 where: short stacking energy: -237.738 Base-Backbone interact. energy: -2.920 local terms energy: -336.675476 where: bonds (distance) C4'-P energy: -86.383 bonds (distance) P-C4' energy: -76.168 flat angles C4'-P-C4' energy: -77.890 flat angles P-C4'-P energy: -52.268 tors. eta vs tors. theta energy: -43.966 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: 8 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -550.306150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.306150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.306150 (E_RNA) where: Base-Base interactions energy: -286.933 where: short stacking energy: -160.564 Base-Backbone interact. energy: 1.060 local terms energy: -264.433817 where: bonds (distance) C4'-P energy: -65.442 bonds (distance) P-C4' energy: -85.444 flat angles C4'-P-C4' energy: -75.950 flat angles P-C4'-P energy: -35.565 tors. eta vs tors. theta energy: -2.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -457.968664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.968664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.968664 (E_RNA) where: Base-Base interactions energy: -208.570 where: short stacking energy: -120.100 Base-Backbone interact. energy: 0.135 local terms energy: -249.533545 where: bonds (distance) C4'-P energy: -89.962 bonds (distance) P-C4' energy: -69.490 flat angles C4'-P-C4' energy: -70.224 flat angles P-C4'-P energy: -31.379 tors. eta vs tors. theta energy: 11.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1497.884560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.884560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.884560 (E_RNA) where: Base-Base interactions energy: -985.508 where: short stacking energy: -458.125 Base-Backbone interact. energy: 1.456 local terms energy: -513.832540 where: bonds (distance) C4'-P energy: -98.215 bonds (distance) P-C4' energy: -103.207 flat angles C4'-P-C4' energy: -111.404 flat angles P-C4'-P energy: -72.998 tors. eta vs tors. theta energy: -128.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1386.060341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.060341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.060341 (E_RNA) where: Base-Base interactions energy: -898.287 where: short stacking energy: -422.906 Base-Backbone interact. energy: -1.283 local terms energy: -486.490266 where: bonds (distance) C4'-P energy: -93.886 bonds (distance) P-C4' energy: -96.229 flat angles C4'-P-C4' energy: -93.806 flat angles P-C4'-P energy: -74.648 tors. eta vs tors. theta energy: -127.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1326.147333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.147333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.147333 (E_RNA) where: Base-Base interactions energy: -870.459 where: short stacking energy: -390.964 Base-Backbone interact. energy: -1.584 local terms energy: -454.104815 where: bonds (distance) C4'-P energy: -93.007 bonds (distance) P-C4' energy: -96.641 flat angles C4'-P-C4' energy: -97.457 flat angles P-C4'-P energy: -60.785 tors. eta vs tors. theta energy: -106.214 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: 7 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -1246.063860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.063860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.063860 (E_RNA) where: Base-Base interactions energy: -787.337 where: short stacking energy: -363.268 Base-Backbone interact. energy: 3.065 local terms energy: -461.791670 where: bonds (distance) C4'-P energy: -97.744 bonds (distance) P-C4' energy: -98.780 flat angles C4'-P-C4' energy: -93.797 flat angles P-C4'-P energy: -73.432 tors. eta vs tors. theta energy: -98.039 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: 3 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -1115.150004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.150004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.150004 (E_RNA) where: Base-Base interactions energy: -708.306 where: short stacking energy: -335.661 Base-Backbone interact. energy: -1.527 local terms energy: -405.316509 where: bonds (distance) C4'-P energy: -84.963 bonds (distance) P-C4' energy: -77.904 flat angles C4'-P-C4' energy: -88.903 flat angles P-C4'-P energy: -64.262 tors. eta vs tors. theta energy: -89.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1055.262614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.262614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.262614 (E_RNA) where: Base-Base interactions energy: -681.508 where: short stacking energy: -311.114 Base-Backbone interact. energy: 0.238 local terms energy: -373.992342 where: bonds (distance) C4'-P energy: -68.298 bonds (distance) P-C4' energy: -81.650 flat angles C4'-P-C4' energy: -83.058 flat angles P-C4'-P energy: -48.575 tors. eta vs tors. theta energy: -92.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -890.678574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.678574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.678574 (E_RNA) where: Base-Base interactions energy: -526.353 where: short stacking energy: -245.584 Base-Backbone interact. energy: -2.837 local terms energy: -361.488748 where: bonds (distance) C4'-P energy: -76.080 bonds (distance) P-C4' energy: -82.046 flat angles C4'-P-C4' energy: -86.009 flat angles P-C4'-P energy: -57.697 tors. eta vs tors. theta energy: -59.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -838.185915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.185915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.185915 (E_RNA) where: Base-Base interactions energy: -493.163 where: short stacking energy: -233.802 Base-Backbone interact. energy: -1.193 local terms energy: -343.829728 where: bonds (distance) C4'-P energy: -86.809 bonds (distance) P-C4' energy: -86.525 flat angles C4'-P-C4' energy: -90.071 flat angles P-C4'-P energy: -46.680 tors. eta vs tors. theta energy: -33.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -538.745215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.745215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.745215 (E_RNA) where: Base-Base interactions energy: -248.857 where: short stacking energy: -147.550 Base-Backbone interact. energy: 0.160 local terms energy: -290.048995 where: bonds (distance) C4'-P energy: -83.282 bonds (distance) P-C4' energy: -88.962 flat angles C4'-P-C4' energy: -73.877 flat angles P-C4'-P energy: -40.714 tors. eta vs tors. theta energy: -3.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -461.750870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.750870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.750870 (E_RNA) where: Base-Base interactions energy: -213.267 where: short stacking energy: -118.727 Base-Backbone interact. energy: 1.354 local terms energy: -249.838100 where: bonds (distance) C4'-P energy: -58.881 bonds (distance) P-C4' energy: -88.677 flat angles C4'-P-C4' energy: -75.224 flat angles P-C4'-P energy: -37.347 tors. eta vs tors. theta energy: 10.291 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: 9 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1513.702434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.702434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.702434 (E_RNA) where: Base-Base interactions energy: -1012.847 where: short stacking energy: -472.171 Base-Backbone interact. energy: -2.777 local terms energy: -498.078044 where: bonds (distance) C4'-P energy: -89.891 bonds (distance) P-C4' energy: -96.508 flat angles C4'-P-C4' energy: -103.613 flat angles P-C4'-P energy: -75.325 tors. eta vs tors. theta energy: -132.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1399.060548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.060548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.060548 (E_RNA) where: Base-Base interactions energy: -906.747 where: short stacking energy: -437.193 Base-Backbone interact. energy: -2.312 local terms energy: -490.001801 where: bonds (distance) C4'-P energy: -99.612 bonds (distance) P-C4' energy: -98.492 flat angles C4'-P-C4' energy: -97.629 flat angles P-C4'-P energy: -71.562 tors. eta vs tors. theta energy: -122.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1286.875136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.875136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.875136 (E_RNA) where: Base-Base interactions energy: -836.906 where: short stacking energy: -387.636 Base-Backbone interact. energy: 1.067 local terms energy: -451.035691 where: bonds (distance) C4'-P energy: -90.496 bonds (distance) P-C4' energy: -98.642 flat angles C4'-P-C4' energy: -102.087 flat angles P-C4'-P energy: -52.638 tors. eta vs tors. theta energy: -107.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1214.112098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.112098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.112098 (E_RNA) where: Base-Base interactions energy: -800.435 where: short stacking energy: -390.500 Base-Backbone interact. energy: -3.038 local terms energy: -410.638924 where: bonds (distance) C4'-P energy: -73.971 bonds (distance) P-C4' energy: -82.944 flat angles C4'-P-C4' energy: -95.444 flat angles P-C4'-P energy: -55.411 tors. eta vs tors. theta energy: -102.869 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: 3 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -1145.341204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.341204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.341204 (E_RNA) where: Base-Base interactions energy: -718.808 where: short stacking energy: -331.462 Base-Backbone interact. energy: -1.131 local terms energy: -425.401720 where: bonds (distance) C4'-P energy: -88.171 bonds (distance) P-C4' energy: -97.219 flat angles C4'-P-C4' energy: -94.925 flat angles P-C4'-P energy: -56.279 tors. eta vs tors. theta energy: -88.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1063.238359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.238359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.238359 (E_RNA) where: Base-Base interactions energy: -667.380 where: short stacking energy: -318.677 Base-Backbone interact. energy: -2.558 local terms energy: -393.299850 where: bonds (distance) C4'-P energy: -83.506 bonds (distance) P-C4' energy: -73.620 flat angles C4'-P-C4' energy: -92.552 flat angles P-C4'-P energy: -57.500 tors. eta vs tors. theta energy: -86.123 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: 6 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -824.629560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.629560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.629560 (E_RNA) where: Base-Base interactions energy: -492.503 where: short stacking energy: -226.227 Base-Backbone interact. energy: -3.536 local terms energy: -328.590661 where: bonds (distance) C4'-P energy: -71.610 bonds (distance) P-C4' energy: -84.745 flat angles C4'-P-C4' energy: -86.498 flat angles P-C4'-P energy: -51.668 tors. eta vs tors. theta energy: -34.070 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: 1 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -804.078254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.078254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.078254 (E_RNA) where: Base-Base interactions energy: -505.874 where: short stacking energy: -237.562 Base-Backbone interact. energy: -1.622 local terms energy: -296.582467 where: bonds (distance) C4'-P energy: -77.832 bonds (distance) P-C4' energy: -77.273 flat angles C4'-P-C4' energy: -75.583 flat angles P-C4'-P energy: -41.412 tors. eta vs tors. theta energy: -24.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -535.308577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.308577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.308577 (E_RNA) where: Base-Base interactions energy: -255.217 where: short stacking energy: -174.022 Base-Backbone interact. energy: 4.934 local terms energy: -285.025058 where: bonds (distance) C4'-P energy: -73.598 bonds (distance) P-C4' energy: -93.077 flat angles C4'-P-C4' energy: -71.130 flat angles P-C4'-P energy: -43.529 tors. eta vs tors. theta energy: -3.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -493.465113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.465113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.465113 (E_RNA) where: Base-Base interactions energy: -233.446 where: short stacking energy: -150.738 Base-Backbone interact. energy: -2.964 local terms energy: -257.055372 where: bonds (distance) C4'-P energy: -62.016 bonds (distance) P-C4' energy: -77.371 flat angles C4'-P-C4' energy: -67.288 flat angles P-C4'-P energy: -46.481 tors. eta vs tors. theta energy: -3.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1523.981499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.981499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.981499 (E_RNA) where: Base-Base interactions energy: -1008.726 where: short stacking energy: -464.438 Base-Backbone interact. energy: 1.168 local terms energy: -516.424039 where: bonds (distance) C4'-P energy: -101.776 bonds (distance) P-C4' energy: -92.344 flat angles C4'-P-C4' energy: -111.578 flat angles P-C4'-P energy: -72.423 tors. eta vs tors. theta energy: -138.303 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: 5 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1409.348587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.348587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.348587 (E_RNA) where: Base-Base interactions energy: -922.117 where: short stacking energy: -442.117 Base-Backbone interact. energy: -1.487 local terms energy: -485.744506 where: bonds (distance) C4'-P energy: -97.651 bonds (distance) P-C4' energy: -92.623 flat angles C4'-P-C4' energy: -103.691 flat angles P-C4'-P energy: -63.302 tors. eta vs tors. theta energy: -128.478 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: 2 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1336.737023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.737023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.737023 (E_RNA) where: Base-Base interactions energy: -899.141 where: short stacking energy: -386.745 Base-Backbone interact. energy: 0.967 local terms energy: -438.562739 where: bonds (distance) C4'-P energy: -84.409 bonds (distance) P-C4' energy: -84.866 flat angles C4'-P-C4' energy: -91.325 flat angles P-C4'-P energy: -65.870 tors. eta vs tors. theta energy: -112.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1227.342483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.342483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.342483 (E_RNA) where: Base-Base interactions energy: -781.712 where: short stacking energy: -375.749 Base-Backbone interact. energy: 1.123 local terms energy: -446.753531 where: bonds (distance) C4'-P energy: -87.590 bonds (distance) P-C4' energy: -84.318 flat angles C4'-P-C4' energy: -111.533 flat angles P-C4'-P energy: -62.279 tors. eta vs tors. theta energy: -101.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -1064.115784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.115784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.115784 (E_RNA) where: Base-Base interactions energy: -664.552 where: short stacking energy: -323.027 Base-Backbone interact. energy: -2.213 local terms energy: -397.350359 where: bonds (distance) C4'-P energy: -88.366 bonds (distance) P-C4' energy: -90.354 flat angles C4'-P-C4' energy: -86.172 flat angles P-C4'-P energy: -48.687 tors. eta vs tors. theta energy: -83.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1052.413609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.413609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.413609 (E_RNA) where: Base-Base interactions energy: -677.426 where: short stacking energy: -307.670 Base-Backbone interact. energy: 1.362 local terms energy: -376.349702 where: bonds (distance) C4'-P energy: -81.332 bonds (distance) P-C4' energy: -97.477 flat angles C4'-P-C4' energy: -82.532 flat angles P-C4'-P energy: -42.513 tors. eta vs tors. theta energy: -72.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -884.259742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.259742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.259742 (E_RNA) where: Base-Base interactions energy: -527.400 where: short stacking energy: -266.362 Base-Backbone interact. energy: 4.374 local terms energy: -361.233681 where: bonds (distance) C4'-P energy: -74.787 bonds (distance) P-C4' energy: -89.749 flat angles C4'-P-C4' energy: -77.633 flat angles P-C4'-P energy: -58.694 tors. eta vs tors. theta energy: -60.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -793.263558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.263558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.263558 (E_RNA) where: Base-Base interactions energy: -485.521 where: short stacking energy: -212.456 Base-Backbone interact. energy: 6.514 local terms energy: -314.256570 where: bonds (distance) C4'-P energy: -77.725 bonds (distance) P-C4' energy: -88.648 flat angles C4'-P-C4' energy: -73.366 flat angles P-C4'-P energy: -45.192 tors. eta vs tors. theta energy: -29.325 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: 9, replica: 8 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -542.736834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.736834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.736834 (E_RNA) where: Base-Base interactions energy: -253.277 where: short stacking energy: -160.398 Base-Backbone interact. energy: -0.769 local terms energy: -288.690577 where: bonds (distance) C4'-P energy: -87.980 bonds (distance) P-C4' energy: -79.646 flat angles C4'-P-C4' energy: -65.946 flat angles P-C4'-P energy: -40.127 tors. eta vs tors. theta energy: -14.992 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: 4 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -503.690352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.690352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.690352 (E_RNA) where: Base-Base interactions energy: -244.797 where: short stacking energy: -145.928 Base-Backbone interact. energy: 3.367 local terms energy: -262.260004 where: bonds (distance) C4'-P energy: -87.606 bonds (distance) P-C4' energy: -66.719 flat angles C4'-P-C4' energy: -74.094 flat angles P-C4'-P energy: -36.452 tors. eta vs tors. theta energy: 2.611 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: 9 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1496.436455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.436455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.436455 (E_RNA) where: Base-Base interactions energy: -991.521 where: short stacking energy: -459.204 Base-Backbone interact. energy: -2.317 local terms energy: -502.598569 where: bonds (distance) C4'-P energy: -103.194 bonds (distance) P-C4' energy: -96.710 flat angles C4'-P-C4' energy: -111.280 flat angles P-C4'-P energy: -64.522 tors. eta vs tors. theta energy: -126.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1438.819556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.819556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.819556 (E_RNA) where: Base-Base interactions energy: -950.663 where: short stacking energy: -438.180 Base-Backbone interact. energy: -1.272 local terms energy: -486.885017 where: bonds (distance) C4'-P energy: -97.088 bonds (distance) P-C4' energy: -83.884 flat angles C4'-P-C4' energy: -111.212 flat angles P-C4'-P energy: -68.254 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: 3, replica: 2 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1339.955276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.955276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.955276 (E_RNA) where: Base-Base interactions energy: -897.282 where: short stacking energy: -399.835 Base-Backbone interact. energy: -0.607 local terms energy: -442.065816 where: bonds (distance) C4'-P energy: -82.329 bonds (distance) P-C4' energy: -84.826 flat angles C4'-P-C4' energy: -92.152 flat angles P-C4'-P energy: -66.184 tors. eta vs tors. theta energy: -116.575 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: 4, replica: 7 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1188.084068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.084068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.084068 (E_RNA) where: Base-Base interactions energy: -741.901 where: short stacking energy: -360.578 Base-Backbone interact. energy: -0.584 local terms energy: -445.599074 where: bonds (distance) C4'-P energy: -104.478 bonds (distance) P-C4' energy: -90.159 flat angles C4'-P-C4' energy: -93.015 flat angles P-C4'-P energy: -48.853 tors. eta vs tors. theta energy: -109.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -1114.696093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.696093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.696093 (E_RNA) where: Base-Base interactions energy: -720.734 where: short stacking energy: -310.846 Base-Backbone interact. energy: -2.657 local terms energy: -391.304503 where: bonds (distance) C4'-P energy: -86.455 bonds (distance) P-C4' energy: -93.514 flat angles C4'-P-C4' energy: -80.138 flat angles P-C4'-P energy: -52.235 tors. eta vs tors. theta energy: -78.962 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: 3 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -981.051351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.051351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.051351 (E_RNA) where: Base-Base interactions energy: -618.177 where: short stacking energy: -276.356 Base-Backbone interact. energy: -1.803 local terms energy: -361.071369 where: bonds (distance) C4'-P energy: -83.649 bonds (distance) P-C4' energy: -99.070 flat angles C4'-P-C4' energy: -80.046 flat angles P-C4'-P energy: -62.633 tors. eta vs tors. theta energy: -35.673 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: 6 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -929.990156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.990156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.990156 (E_RNA) where: Base-Base interactions energy: -590.891 where: short stacking energy: -280.793 Base-Backbone interact. energy: -2.484 local terms energy: -336.615404 where: bonds (distance) C4'-P energy: -91.276 bonds (distance) P-C4' energy: -76.166 flat angles C4'-P-C4' energy: -81.744 flat angles P-C4'-P energy: -38.051 tors. eta vs tors. theta energy: -49.378 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: 1 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -834.935081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.935081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.935081 (E_RNA) where: Base-Base interactions energy: -476.746 where: short stacking energy: -246.095 Base-Backbone interact. energy: 2.058 local terms energy: -360.246606 where: bonds (distance) C4'-P energy: -77.468 bonds (distance) P-C4' energy: -92.934 flat angles C4'-P-C4' energy: -88.754 flat angles P-C4'-P energy: -52.258 tors. eta vs tors. theta energy: -48.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -550.286601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.286601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.286601 (E_RNA) where: Base-Base interactions energy: -256.635 where: short stacking energy: -160.918 Base-Backbone interact. energy: -0.363 local terms energy: -293.288674 where: bonds (distance) C4'-P energy: -66.785 bonds (distance) P-C4' energy: -75.023 flat angles C4'-P-C4' energy: -80.186 flat angles P-C4'-P energy: -53.365 tors. eta vs tors. theta energy: -17.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -505.879521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.879521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.879521 (E_RNA) where: Base-Base interactions energy: -273.773 where: short stacking energy: -156.562 Base-Backbone interact. energy: -1.416 local terms energy: -230.690702 where: bonds (distance) C4'-P energy: -63.995 bonds (distance) P-C4' energy: -75.602 flat angles C4'-P-C4' energy: -72.385 flat angles P-C4'-P energy: -22.596 tors. eta vs tors. theta energy: 3.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1495.367748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.367748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.367748 (E_RNA) where: Base-Base interactions energy: -989.407 where: short stacking energy: -451.039 Base-Backbone interact. energy: -2.423 local terms energy: -503.537802 where: bonds (distance) C4'-P energy: -95.666 bonds (distance) P-C4' energy: -109.139 flat angles C4'-P-C4' energy: -111.388 flat angles P-C4'-P energy: -59.554 tors. eta vs tors. theta energy: -127.791 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: 5 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1452.716117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.716117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.716117 (E_RNA) where: Base-Base interactions energy: -967.964 where: short stacking energy: -465.023 Base-Backbone interact. energy: 0.048 local terms energy: -484.800243 where: bonds (distance) C4'-P energy: -86.585 bonds (distance) P-C4' energy: -88.693 flat angles C4'-P-C4' energy: -96.720 flat angles P-C4'-P energy: -72.661 tors. eta vs tors. theta energy: -140.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -1364.515647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.515647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.515647 (E_RNA) where: Base-Base interactions energy: -911.995 where: short stacking energy: -393.644 Base-Backbone interact. energy: -2.353 local terms energy: -450.166991 where: bonds (distance) C4'-P energy: -88.191 bonds (distance) P-C4' energy: -82.376 flat angles C4'-P-C4' energy: -106.185 flat angles P-C4'-P energy: -63.785 tors. eta vs tors. theta energy: -109.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -1186.358814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.358814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.358814 (E_RNA) where: Base-Base interactions energy: -740.222 where: short stacking energy: -363.295 Base-Backbone interact. energy: 0.921 local terms energy: -447.058048 where: bonds (distance) C4'-P energy: -88.898 bonds (distance) P-C4' energy: -97.950 flat angles C4'-P-C4' energy: -106.837 flat angles P-C4'-P energy: -57.766 tors. eta vs tors. theta energy: -95.607 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: 10 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -1121.316983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.316983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.316983 (E_RNA) where: Base-Base interactions energy: -713.059 where: short stacking energy: -356.161 Base-Backbone interact. energy: 3.802 local terms energy: -412.059800 where: bonds (distance) C4'-P energy: -69.948 bonds (distance) P-C4' energy: -88.904 flat angles C4'-P-C4' energy: -92.635 flat angles P-C4'-P energy: -66.887 tors. eta vs tors. theta energy: -93.685 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: 3 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -996.188308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.188308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.188308 (E_RNA) where: Base-Base interactions energy: -631.296 where: short stacking energy: -278.474 Base-Backbone interact. energy: 1.485 local terms energy: -366.377284 where: bonds (distance) C4'-P energy: -86.344 bonds (distance) P-C4' energy: -84.916 flat angles C4'-P-C4' energy: -80.152 flat angles P-C4'-P energy: -57.024 tors. eta vs tors. theta energy: -57.943 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: 7, replica: 6 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -914.699329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.699329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.699329 (E_RNA) where: Base-Base interactions energy: -564.851 where: short stacking energy: -245.254 Base-Backbone interact. energy: 1.707 local terms energy: -351.555854 where: bonds (distance) C4'-P energy: -85.633 bonds (distance) P-C4' energy: -79.615 flat angles C4'-P-C4' energy: -78.486 flat angles P-C4'-P energy: -59.382 tors. eta vs tors. theta energy: -48.440 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: 1 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -833.282691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.282691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.282691 (E_RNA) where: Base-Base interactions energy: -503.184 where: short stacking energy: -217.997 Base-Backbone interact. energy: 0.575 local terms energy: -330.673377 where: bonds (distance) C4'-P energy: -84.276 bonds (distance) P-C4' energy: -84.096 flat angles C4'-P-C4' energy: -83.334 flat angles P-C4'-P energy: -42.261 tors. eta vs tors. theta energy: -36.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -527.173435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.173435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.173435 (E_RNA) where: Base-Base interactions energy: -240.457 where: short stacking energy: -158.382 Base-Backbone interact. energy: -1.382 local terms energy: -285.334058 where: bonds (distance) C4'-P energy: -77.604 bonds (distance) P-C4' energy: -90.342 flat angles C4'-P-C4' energy: -71.620 flat angles P-C4'-P energy: -34.754 tors. eta vs tors. theta energy: -11.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -533.987496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.987496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.987496 (E_RNA) where: Base-Base interactions energy: -240.877 where: short stacking energy: -137.898 Base-Backbone interact. energy: -1.426 local terms energy: -291.684572 where: bonds (distance) C4'-P energy: -85.535 bonds (distance) P-C4' energy: -91.089 flat angles C4'-P-C4' energy: -69.832 flat angles P-C4'-P energy: -38.667 tors. eta vs tors. theta energy: -6.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1506.064344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.064344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.064344 (E_RNA) where: Base-Base interactions energy: -1003.939 where: short stacking energy: -472.077 Base-Backbone interact. energy: -1.455 local terms energy: -500.670380 where: bonds (distance) C4'-P energy: -92.058 bonds (distance) P-C4' energy: -92.455 flat angles C4'-P-C4' energy: -105.382 flat angles P-C4'-P energy: -73.742 tors. eta vs tors. theta energy: -137.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1453.221088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.221088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.221088 (E_RNA) where: Base-Base interactions energy: -973.550 where: short stacking energy: -465.206 Base-Backbone interact. energy: -3.017 local terms energy: -476.653846 where: bonds (distance) C4'-P energy: -95.403 bonds (distance) P-C4' energy: -93.555 flat angles C4'-P-C4' energy: -104.151 flat angles P-C4'-P energy: -50.193 tors. eta vs tors. theta energy: -133.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1362.846156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.846156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.846156 (E_RNA) where: Base-Base interactions energy: -892.335 where: short stacking energy: -395.993 Base-Backbone interact. energy: -0.958 local terms energy: -469.553931 where: bonds (distance) C4'-P energy: -85.673 bonds (distance) P-C4' energy: -92.559 flat angles C4'-P-C4' energy: -99.386 flat angles P-C4'-P energy: -74.014 tors. eta vs tors. theta energy: -117.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1205.622924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.622924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.622924 (E_RNA) where: Base-Base interactions energy: -785.789 where: short stacking energy: -386.275 Base-Backbone interact. energy: 4.299 local terms energy: -424.132680 where: bonds (distance) C4'-P energy: -96.623 bonds (distance) P-C4' energy: -90.402 flat angles C4'-P-C4' energy: -84.735 flat angles P-C4'-P energy: -63.385 tors. eta vs tors. theta energy: -88.988 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: 10 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -1051.335052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.335052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.335052 (E_RNA) where: Base-Base interactions energy: -658.914 where: short stacking energy: -305.856 Base-Backbone interact. energy: 1.111 local terms energy: -393.531655 where: bonds (distance) C4'-P energy: -73.335 bonds (distance) P-C4' energy: -94.975 flat angles C4'-P-C4' energy: -98.152 flat angles P-C4'-P energy: -54.473 tors. eta vs tors. theta energy: -72.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1022.966693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.966693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.966693 (E_RNA) where: Base-Base interactions energy: -656.531 where: short stacking energy: -305.078 Base-Backbone interact. energy: 0.462 local terms energy: -366.897065 where: bonds (distance) C4'-P energy: -92.664 bonds (distance) P-C4' energy: -71.029 flat angles C4'-P-C4' energy: -85.271 flat angles P-C4'-P energy: -40.490 tors. eta vs tors. theta energy: -77.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -974.126081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.126081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.126081 (E_RNA) where: Base-Base interactions energy: -591.682 where: short stacking energy: -265.000 Base-Backbone interact. energy: -2.843 local terms energy: -379.600446 where: bonds (distance) C4'-P energy: -90.444 bonds (distance) P-C4' energy: -93.826 flat angles C4'-P-C4' energy: -84.227 flat angles P-C4'-P energy: -53.221 tors. eta vs tors. theta energy: -57.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -774.806899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.806899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.806899 (E_RNA) where: Base-Base interactions energy: -465.758 where: short stacking energy: -229.689 Base-Backbone interact. energy: 1.291 local terms energy: -310.339633 where: bonds (distance) C4'-P energy: -78.636 bonds (distance) P-C4' energy: -77.474 flat angles C4'-P-C4' energy: -75.059 flat angles P-C4'-P energy: -44.523 tors. eta vs tors. theta energy: -34.647 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: 399 Temperature: 1.300000 Total energy: -545.062956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.062956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.062956 (E_RNA) where: Base-Base interactions energy: -262.483 where: short stacking energy: -164.098 Base-Backbone interact. energy: -0.886 local terms energy: -281.693120 where: bonds (distance) C4'-P energy: -66.209 bonds (distance) P-C4' energy: -83.293 flat angles C4'-P-C4' energy: -74.832 flat angles P-C4'-P energy: -47.842 tors. eta vs tors. theta energy: -9.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -507.260294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.260294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.260294 (E_RNA) where: Base-Base interactions energy: -270.600 where: short stacking energy: -125.819 Base-Backbone interact. energy: -1.310 local terms energy: -235.349982 where: bonds (distance) C4'-P energy: -59.748 bonds (distance) P-C4' energy: -78.145 flat angles C4'-P-C4' energy: -78.674 flat angles P-C4'-P energy: -31.452 tors. eta vs tors. theta energy: 12.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1526.906660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.906660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.906660 (E_RNA) where: Base-Base interactions energy: -1019.952 where: short stacking energy: -470.742 Base-Backbone interact. energy: 0.222 local terms energy: -507.176778 where: bonds (distance) C4'-P energy: -93.088 bonds (distance) P-C4' energy: -102.530 flat angles C4'-P-C4' energy: -110.011 flat angles P-C4'-P energy: -71.782 tors. eta vs tors. theta energy: -129.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1426.034795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.034795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.034795 (E_RNA) where: Base-Base interactions energy: -955.194 where: short stacking energy: -446.529 Base-Backbone interact. energy: -3.235 local terms energy: -467.605857 where: bonds (distance) C4'-P energy: -82.266 bonds (distance) P-C4' energy: -89.526 flat angles C4'-P-C4' energy: -100.969 flat angles P-C4'-P energy: -71.023 tors. eta vs tors. theta energy: -123.821 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: 2 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1344.552384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.552384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.552384 (E_RNA) where: Base-Base interactions energy: -876.527 where: short stacking energy: -396.743 Base-Backbone interact. energy: -3.400 local terms energy: -464.625620 where: bonds (distance) C4'-P energy: -82.807 bonds (distance) P-C4' energy: -94.735 flat angles C4'-P-C4' energy: -101.362 flat angles P-C4'-P energy: -84.024 tors. eta vs tors. theta energy: -101.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1180.592502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.592502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.592502 (E_RNA) where: Base-Base interactions energy: -766.725 where: short stacking energy: -359.534 Base-Backbone interact. energy: -0.783 local terms energy: -413.084723 where: bonds (distance) C4'-P energy: -80.699 bonds (distance) P-C4' energy: -88.735 flat angles C4'-P-C4' energy: -92.301 flat angles P-C4'-P energy: -58.411 tors. eta vs tors. theta energy: -92.939 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: 10 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -1019.855138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.855138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.855138 (E_RNA) where: Base-Base interactions energy: -622.378 where: short stacking energy: -281.021 Base-Backbone interact. energy: -0.606 local terms energy: -396.871470 where: bonds (distance) C4'-P energy: -85.171 bonds (distance) P-C4' energy: -89.545 flat angles C4'-P-C4' energy: -92.851 flat angles P-C4'-P energy: -59.653 tors. eta vs tors. theta energy: -69.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1045.433269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.433269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.433269 (E_RNA) where: Base-Base interactions energy: -671.814 where: short stacking energy: -316.256 Base-Backbone interact. energy: -0.881 local terms energy: -372.738756 where: bonds (distance) C4'-P energy: -67.667 bonds (distance) P-C4' energy: -83.943 flat angles C4'-P-C4' energy: -90.077 flat angles P-C4'-P energy: -57.132 tors. eta vs tors. theta energy: -73.921 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: 6 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -953.716420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.716420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.716420 (E_RNA) where: Base-Base interactions energy: -590.088 where: short stacking energy: -264.150 Base-Backbone interact. energy: -1.224 local terms energy: -362.403613 where: bonds (distance) C4'-P energy: -65.973 bonds (distance) P-C4' energy: -91.377 flat angles C4'-P-C4' energy: -85.807 flat angles P-C4'-P energy: -57.232 tors. eta vs tors. theta energy: -62.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -779.203411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.203411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.203411 (E_RNA) where: Base-Base interactions energy: -483.236 where: short stacking energy: -227.936 Base-Backbone interact. energy: 0.248 local terms energy: -296.216018 where: bonds (distance) C4'-P energy: -71.431 bonds (distance) P-C4' energy: -80.322 flat angles C4'-P-C4' energy: -64.904 flat angles P-C4'-P energy: -54.970 tors. eta vs tors. theta energy: -24.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -586.318624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.318624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.318624 (E_RNA) where: Base-Base interactions energy: -311.229 where: short stacking energy: -167.226 Base-Backbone interact. energy: -2.295 local terms energy: -272.795210 where: bonds (distance) C4'-P energy: -82.309 bonds (distance) P-C4' energy: -73.099 flat angles C4'-P-C4' energy: -65.383 flat angles P-C4'-P energy: -51.539 tors. eta vs tors. theta energy: -0.465 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: 10, replica: 8 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -494.187912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.187912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.187912 (E_RNA) where: Base-Base interactions energy: -216.323 where: short stacking energy: -130.601 Base-Backbone interact. energy: -2.001 local terms energy: -275.864254 where: bonds (distance) C4'-P energy: -83.046 bonds (distance) P-C4' energy: -79.994 flat angles C4'-P-C4' energy: -65.657 flat angles P-C4'-P energy: -46.889 tors. eta vs tors. theta energy: -0.279 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: 9 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1514.348006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.348006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.348006 (E_RNA) where: Base-Base interactions energy: -1038.896 where: short stacking energy: -462.676 Base-Backbone interact. energy: -0.249 local terms energy: -475.202524 where: bonds (distance) C4'-P energy: -91.715 bonds (distance) P-C4' energy: -95.087 flat angles C4'-P-C4' energy: -99.028 flat angles P-C4'-P energy: -64.852 tors. eta vs tors. theta energy: -124.521 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: 2, replica: 5 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1413.186352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.186352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.186352 (E_RNA) where: Base-Base interactions energy: -929.704 where: short stacking energy: -450.657 Base-Backbone interact. energy: -0.337 local terms energy: -483.145419 where: bonds (distance) C4'-P energy: -82.191 bonds (distance) P-C4' energy: -84.731 flat angles C4'-P-C4' energy: -110.149 flat angles P-C4'-P energy: -70.547 tors. eta vs tors. theta energy: -135.528 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: 3, replica: 2 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1350.184812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.184812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.184812 (E_RNA) where: Base-Base interactions energy: -886.265 where: short stacking energy: -397.049 Base-Backbone interact. energy: 0.633 local terms energy: -464.553457 where: bonds (distance) C4'-P energy: -101.310 bonds (distance) P-C4' energy: -99.496 flat angles C4'-P-C4' energy: -97.493 flat angles P-C4'-P energy: -58.488 tors. eta vs tors. theta energy: -107.767 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: 7 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -1125.949167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.949167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.949167 (E_RNA) where: Base-Base interactions energy: -723.807 where: short stacking energy: -330.710 Base-Backbone interact. energy: -4.132 local terms energy: -398.009590 where: bonds (distance) C4'-P energy: -79.829 bonds (distance) P-C4' energy: -104.421 flat angles C4'-P-C4' energy: -81.087 flat angles P-C4'-P energy: -62.778 tors. eta vs tors. theta energy: -69.895 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: 10 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1103.697791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.697791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.697791 (E_RNA) where: Base-Base interactions energy: -703.164 where: short stacking energy: -349.852 Base-Backbone interact. energy: -1.034 local terms energy: -399.499723 where: bonds (distance) C4'-P energy: -79.966 bonds (distance) P-C4' energy: -76.400 flat angles C4'-P-C4' energy: -89.428 flat angles P-C4'-P energy: -59.556 tors. eta vs tors. theta energy: -94.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1002.023025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.023025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.023025 (E_RNA) where: Base-Base interactions energy: -623.387 where: short stacking energy: -312.857 Base-Backbone interact. energy: -0.984 local terms energy: -377.651431 where: bonds (distance) C4'-P energy: -85.087 bonds (distance) P-C4' energy: -92.880 flat angles C4'-P-C4' energy: -73.142 flat angles P-C4'-P energy: -59.034 tors. eta vs tors. theta energy: -67.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -972.054550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.054550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.054550 (E_RNA) where: Base-Base interactions energy: -618.633 where: short stacking energy: -264.179 Base-Backbone interact. energy: 2.615 local terms energy: -356.036408 where: bonds (distance) C4'-P energy: -81.712 bonds (distance) P-C4' energy: -92.196 flat angles C4'-P-C4' energy: -65.085 flat angles P-C4'-P energy: -48.774 tors. eta vs tors. theta energy: -68.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -789.668579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.668579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.668579 (E_RNA) where: Base-Base interactions energy: -464.634 where: short stacking energy: -214.357 Base-Backbone interact. energy: 1.480 local terms energy: -326.515078 where: bonds (distance) C4'-P energy: -80.460 bonds (distance) P-C4' energy: -85.645 flat angles C4'-P-C4' energy: -79.052 flat angles P-C4'-P energy: -40.787 tors. eta vs tors. theta energy: -40.571 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: 401 Temperature: 1.300000 Total energy: -522.595288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.595288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.595288 (E_RNA) where: Base-Base interactions energy: -241.505 where: short stacking energy: -148.811 Base-Backbone interact. energy: 3.891 local terms energy: -284.981288 where: bonds (distance) C4'-P energy: -82.249 bonds (distance) P-C4' energy: -76.970 flat angles C4'-P-C4' energy: -74.538 flat angles P-C4'-P energy: -51.473 tors. eta vs tors. theta energy: 0.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -511.538094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.538094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.538094 (E_RNA) where: Base-Base interactions energy: -223.269 where: short stacking energy: -144.034 Base-Backbone interact. energy: 0.473 local terms energy: -288.742255 where: bonds (distance) C4'-P energy: -77.049 bonds (distance) P-C4' energy: -74.783 flat angles C4'-P-C4' energy: -78.481 flat angles P-C4'-P energy: -56.672 tors. eta vs tors. theta energy: -1.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1515.963699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.963699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.963699 (E_RNA) where: Base-Base interactions energy: -1009.016 where: short stacking energy: -465.979 Base-Backbone interact. energy: -0.634 local terms energy: -506.313781 where: bonds (distance) C4'-P energy: -90.633 bonds (distance) P-C4' energy: -104.787 flat angles C4'-P-C4' energy: -104.312 flat angles P-C4'-P energy: -72.917 tors. eta vs tors. theta energy: -133.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1426.925314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.925314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.925314 (E_RNA) where: Base-Base interactions energy: -933.176 where: short stacking energy: -439.665 Base-Backbone interact. energy: -0.641 local terms energy: -493.107354 where: bonds (distance) C4'-P energy: -92.932 bonds (distance) P-C4' energy: -97.585 flat angles C4'-P-C4' energy: -104.460 flat angles P-C4'-P energy: -65.287 tors. eta vs tors. theta energy: -132.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1348.944027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.944027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.944027 (E_RNA) where: Base-Base interactions energy: -900.884 where: short stacking energy: -405.234 Base-Backbone interact. energy: -1.656 local terms energy: -446.404690 where: bonds (distance) C4'-P energy: -79.094 bonds (distance) P-C4' energy: -94.145 flat angles C4'-P-C4' energy: -101.333 flat angles P-C4'-P energy: -51.766 tors. eta vs tors. theta energy: -120.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1134.226452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.226452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.226452 (E_RNA) where: Base-Base interactions energy: -717.931 where: short stacking energy: -353.651 Base-Backbone interact. energy: -0.732 local terms energy: -415.563044 where: bonds (distance) C4'-P energy: -90.788 bonds (distance) P-C4' energy: -93.603 flat angles C4'-P-C4' energy: -96.410 flat angles P-C4'-P energy: -51.571 tors. eta vs tors. theta energy: -83.191 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: 10 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -1097.738367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.738367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.738367 (E_RNA) where: Base-Base interactions energy: -684.930 where: short stacking energy: -341.833 Base-Backbone interact. energy: -0.197 local terms energy: -412.610793 where: bonds (distance) C4'-P energy: -87.241 bonds (distance) P-C4' energy: -93.775 flat angles C4'-P-C4' energy: -85.247 flat angles P-C4'-P energy: -54.424 tors. eta vs tors. theta energy: -91.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1035.132435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.132435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.132435 (E_RNA) where: Base-Base interactions energy: -667.089 where: short stacking energy: -295.535 Base-Backbone interact. energy: -0.303 local terms energy: -367.740632 where: bonds (distance) C4'-P energy: -88.805 bonds (distance) P-C4' energy: -70.868 flat angles C4'-P-C4' energy: -91.664 flat angles P-C4'-P energy: -46.784 tors. eta vs tors. theta energy: -69.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -973.849088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.849088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.849088 (E_RNA) where: Base-Base interactions energy: -647.509 where: short stacking energy: -307.464 Base-Backbone interact. energy: -1.089 local terms energy: -325.251321 where: bonds (distance) C4'-P energy: -51.809 bonds (distance) P-C4' energy: -85.351 flat angles C4'-P-C4' energy: -78.711 flat angles P-C4'-P energy: -44.335 tors. eta vs tors. theta energy: -65.045 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: 1 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -781.681829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.681829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.681829 (E_RNA) where: Base-Base interactions energy: -485.995 where: short stacking energy: -227.733 Base-Backbone interact. energy: -0.985 local terms energy: -294.701583 where: bonds (distance) C4'-P energy: -91.619 bonds (distance) P-C4' energy: -73.879 flat angles C4'-P-C4' energy: -56.553 flat angles P-C4'-P energy: -41.027 tors. eta vs tors. theta energy: -31.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -558.810901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.810901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.810901 (E_RNA) where: Base-Base interactions energy: -284.449 where: short stacking energy: -154.980 Base-Backbone interact. energy: -1.268 local terms energy: -273.094692 where: bonds (distance) C4'-P energy: -77.160 bonds (distance) P-C4' energy: -81.020 flat angles C4'-P-C4' energy: -73.947 flat angles P-C4'-P energy: -48.708 tors. eta vs tors. theta energy: 7.740 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: 8 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -524.818364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.818364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.818364 (E_RNA) where: Base-Base interactions energy: -258.339 where: short stacking energy: -147.276 Base-Backbone interact. energy: -0.319 local terms energy: -266.160335 where: bonds (distance) C4'-P energy: -86.002 bonds (distance) P-C4' energy: -79.829 flat angles C4'-P-C4' energy: -59.402 flat angles P-C4'-P energy: -38.490 tors. eta vs tors. theta energy: -2.437 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: 9 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1504.230776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.230776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.230776 (E_RNA) where: Base-Base interactions energy: -1006.810 where: short stacking energy: -438.714 Base-Backbone interact. energy: -2.854 local terms energy: -494.566716 where: bonds (distance) C4'-P energy: -91.854 bonds (distance) P-C4' energy: -110.763 flat angles C4'-P-C4' energy: -105.696 flat angles P-C4'-P energy: -68.468 tors. eta vs tors. theta energy: -117.786 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: 2 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1417.572085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.572085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.572085 (E_RNA) where: Base-Base interactions energy: -915.069 where: short stacking energy: -414.024 Base-Backbone interact. energy: -3.582 local terms energy: -498.921348 where: bonds (distance) C4'-P energy: -91.659 bonds (distance) P-C4' energy: -102.629 flat angles C4'-P-C4' energy: -107.039 flat angles P-C4'-P energy: -73.098 tors. eta vs tors. theta energy: -124.497 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: 5 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1391.742743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.742743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.742743 (E_RNA) where: Base-Base interactions energy: -929.824 where: short stacking energy: -434.580 Base-Backbone interact. energy: -2.459 local terms energy: -459.459170 where: bonds (distance) C4'-P energy: -91.911 bonds (distance) P-C4' energy: -86.769 flat angles C4'-P-C4' energy: -95.796 flat angles P-C4'-P energy: -70.413 tors. eta vs tors. theta energy: -114.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1196.737317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.737317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.737317 (E_RNA) where: Base-Base interactions energy: -804.183 where: short stacking energy: -360.749 Base-Backbone interact. energy: -1.682 local terms energy: -390.873023 where: bonds (distance) C4'-P energy: -73.814 bonds (distance) P-C4' energy: -78.072 flat angles C4'-P-C4' energy: -92.143 flat angles P-C4'-P energy: -64.176 tors. eta vs tors. theta energy: -82.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -1090.811737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.811737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.811737 (E_RNA) where: Base-Base interactions energy: -695.873 where: short stacking energy: -320.521 Base-Backbone interact. energy: -1.167 local terms energy: -393.772286 where: bonds (distance) C4'-P energy: -82.742 bonds (distance) P-C4' energy: -91.320 flat angles C4'-P-C4' energy: -88.082 flat angles P-C4'-P energy: -60.301 tors. eta vs tors. theta energy: -71.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1009.044868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.044868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.044868 (E_RNA) where: Base-Base interactions energy: -618.163 where: short stacking energy: -272.947 Base-Backbone interact. energy: -0.921 local terms energy: -389.961164 where: bonds (distance) C4'-P energy: -90.080 bonds (distance) P-C4' energy: -93.204 flat angles C4'-P-C4' energy: -94.665 flat angles P-C4'-P energy: -49.014 tors. eta vs tors. theta energy: -62.998 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: 6 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -970.369373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.369373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.369373 (E_RNA) where: Base-Base interactions energy: -623.460 where: short stacking energy: -269.815 Base-Backbone interact. energy: -3.010 local terms energy: -343.899967 where: bonds (distance) C4'-P energy: -72.883 bonds (distance) P-C4' energy: -75.741 flat angles C4'-P-C4' energy: -80.859 flat angles P-C4'-P energy: -57.631 tors. eta vs tors. theta energy: -56.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -784.140832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.140832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.140832 (E_RNA) where: Base-Base interactions energy: -465.921 where: short stacking energy: -222.808 Base-Backbone interact. energy: 1.010 local terms energy: -319.230226 where: bonds (distance) C4'-P energy: -90.638 bonds (distance) P-C4' energy: -74.110 flat angles C4'-P-C4' energy: -71.770 flat angles P-C4'-P energy: -45.213 tors. eta vs tors. theta energy: -37.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -544.153590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.153590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.153590 (E_RNA) where: Base-Base interactions energy: -251.607 where: short stacking energy: -168.409 Base-Backbone interact. energy: 0.804 local terms energy: -293.350449 where: bonds (distance) C4'-P energy: -74.308 bonds (distance) P-C4' energy: -88.792 flat angles C4'-P-C4' energy: -70.951 flat angles P-C4'-P energy: -35.868 tors. eta vs tors. theta energy: -23.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -531.951108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.951108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.951108 (E_RNA) where: Base-Base interactions energy: -260.698 where: short stacking energy: -155.030 Base-Backbone interact. energy: 0.167 local terms energy: -271.420170 where: bonds (distance) C4'-P energy: -65.689 bonds (distance) P-C4' energy: -95.033 flat angles C4'-P-C4' energy: -68.813 flat angles P-C4'-P energy: -32.829 tors. eta vs tors. theta energy: -9.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1502.634735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.634735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.634735 (E_RNA) where: Base-Base interactions energy: -1020.624 where: short stacking energy: -461.778 Base-Backbone interact. energy: -1.616 local terms energy: -480.394744 where: bonds (distance) C4'-P energy: -90.043 bonds (distance) P-C4' energy: -93.655 flat angles C4'-P-C4' energy: -103.414 flat angles P-C4'-P energy: -63.166 tors. eta vs tors. theta energy: -130.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -1408.912916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.912916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.912916 (E_RNA) where: Base-Base interactions energy: -917.533 where: short stacking energy: -446.374 Base-Backbone interact. energy: -0.146 local terms energy: -491.233215 where: bonds (distance) C4'-P energy: -92.993 bonds (distance) P-C4' energy: -88.368 flat angles C4'-P-C4' energy: -105.086 flat angles P-C4'-P energy: -73.364 tors. eta vs tors. theta energy: -131.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1382.369531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.369531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.369531 (E_RNA) where: Base-Base interactions energy: -886.804 where: short stacking energy: -413.841 Base-Backbone interact. energy: -1.471 local terms energy: -494.094801 where: bonds (distance) C4'-P energy: -93.420 bonds (distance) P-C4' energy: -100.502 flat angles C4'-P-C4' energy: -101.110 flat angles P-C4'-P energy: -70.910 tors. eta vs tors. theta energy: -128.153 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: 4, replica: 10 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1183.463148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.463148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.463148 (E_RNA) where: Base-Base interactions energy: -769.490 where: short stacking energy: -359.993 Base-Backbone interact. energy: -3.482 local terms energy: -410.491212 where: bonds (distance) C4'-P energy: -78.761 bonds (distance) P-C4' energy: -80.556 flat angles C4'-P-C4' energy: -100.039 flat angles P-C4'-P energy: -63.184 tors. eta vs tors. theta energy: -87.951 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: 5, replica: 7 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -1078.265877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.265877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.265877 (E_RNA) where: Base-Base interactions energy: -704.739 where: short stacking energy: -323.864 Base-Backbone interact. energy: -0.643 local terms energy: -372.884419 where: bonds (distance) C4'-P energy: -89.884 bonds (distance) P-C4' energy: -93.051 flat angles C4'-P-C4' energy: -94.822 flat angles P-C4'-P energy: -29.509 tors. eta vs tors. theta energy: -65.618 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: 404 Temperature: 1.150000 Total energy: -1035.062055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.062055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.062055 (E_RNA) where: Base-Base interactions energy: -657.705 where: short stacking energy: -300.609 Base-Backbone interact. energy: 0.841 local terms energy: -378.197741 where: bonds (distance) C4'-P energy: -81.898 bonds (distance) P-C4' energy: -79.826 flat angles C4'-P-C4' energy: -86.476 flat angles P-C4'-P energy: -58.396 tors. eta vs tors. theta energy: -71.602 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: 7, replica: 6 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -951.750737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.750737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.750737 (E_RNA) where: Base-Base interactions energy: -584.190 where: short stacking energy: -263.977 Base-Backbone interact. energy: 0.687 local terms energy: -368.247789 where: bonds (distance) C4'-P energy: -87.230 bonds (distance) P-C4' energy: -84.876 flat angles C4'-P-C4' energy: -81.945 flat angles P-C4'-P energy: -56.849 tors. eta vs tors. theta energy: -57.348 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: 8, replica: 1 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -781.164413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.164413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.164413 (E_RNA) where: Base-Base interactions energy: -459.163 where: short stacking energy: -209.125 Base-Backbone interact. energy: 3.514 local terms energy: -325.515730 where: bonds (distance) C4'-P energy: -85.072 bonds (distance) P-C4' energy: -87.901 flat angles C4'-P-C4' energy: -83.791 flat angles P-C4'-P energy: -38.616 tors. eta vs tors. theta energy: -30.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -572.662556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.662556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.662556 (E_RNA) where: Base-Base interactions energy: -284.120 where: short stacking energy: -152.973 Base-Backbone interact. energy: 3.292 local terms energy: -291.835083 where: bonds (distance) C4'-P energy: -64.897 bonds (distance) P-C4' energy: -89.915 flat angles C4'-P-C4' energy: -91.787 flat angles P-C4'-P energy: -40.745 tors. eta vs tors. theta energy: -4.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -516.389918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.389918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.389918 (E_RNA) where: Base-Base interactions energy: -243.218 where: short stacking energy: -155.914 Base-Backbone interact. energy: 0.979 local terms energy: -274.150625 where: bonds (distance) C4'-P energy: -63.834 bonds (distance) P-C4' energy: -79.062 flat angles C4'-P-C4' energy: -70.723 flat angles P-C4'-P energy: -52.231 tors. eta vs tors. theta energy: -8.300 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: 9 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1546.867342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.867342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.867342 (E_RNA) where: Base-Base interactions energy: -1024.619 where: short stacking energy: -460.513 Base-Backbone interact. energy: -1.542 local terms energy: -520.706775 where: bonds (distance) C4'-P energy: -103.790 bonds (distance) P-C4' energy: -92.155 flat angles C4'-P-C4' energy: -105.302 flat angles P-C4'-P energy: -80.064 tors. eta vs tors. theta energy: -139.395 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: 5 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1424.902524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.902524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.902524 (E_RNA) where: Base-Base interactions energy: -934.745 where: short stacking energy: -438.515 Base-Backbone interact. energy: -1.899 local terms energy: -488.258587 where: bonds (distance) C4'-P energy: -105.865 bonds (distance) P-C4' energy: -94.676 flat angles C4'-P-C4' energy: -103.975 flat angles P-C4'-P energy: -58.115 tors. eta vs tors. theta energy: -125.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1339.508608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.508608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.508608 (E_RNA) where: Base-Base interactions energy: -861.388 where: short stacking energy: -406.176 Base-Backbone interact. energy: -1.805 local terms energy: -476.315452 where: bonds (distance) C4'-P energy: -84.036 bonds (distance) P-C4' energy: -105.627 flat angles C4'-P-C4' energy: -102.417 flat angles P-C4'-P energy: -67.804 tors. eta vs tors. theta energy: -116.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1132.348008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.348008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.348008 (E_RNA) where: Base-Base interactions energy: -715.105 where: short stacking energy: -343.825 Base-Backbone interact. energy: 0.508 local terms energy: -417.750795 where: bonds (distance) C4'-P energy: -89.167 bonds (distance) P-C4' energy: -92.301 flat angles C4'-P-C4' energy: -85.889 flat angles P-C4'-P energy: -57.465 tors. eta vs tors. theta energy: -92.929 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: 7 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1112.568794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.568794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.568794 (E_RNA) where: Base-Base interactions energy: -697.685 where: short stacking energy: -343.787 Base-Backbone interact. energy: -1.342 local terms energy: -413.541861 where: bonds (distance) C4'-P energy: -91.979 bonds (distance) P-C4' energy: -78.974 flat angles C4'-P-C4' energy: -95.584 flat angles P-C4'-P energy: -64.887 tors. eta vs tors. theta energy: -82.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1014.857423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.857423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.857423 (E_RNA) where: Base-Base interactions energy: -631.213 where: short stacking energy: -278.234 Base-Backbone interact. energy: 1.738 local terms energy: -385.382648 where: bonds (distance) C4'-P energy: -87.087 bonds (distance) P-C4' energy: -95.468 flat angles C4'-P-C4' energy: -86.936 flat angles P-C4'-P energy: -56.487 tors. eta vs tors. theta energy: -59.405 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: 6 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -966.445354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.445354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.445354 (E_RNA) where: Base-Base interactions energy: -600.360 where: short stacking energy: -271.662 Base-Backbone interact. energy: 0.995 local terms energy: -367.079818 where: bonds (distance) C4'-P energy: -80.559 bonds (distance) P-C4' energy: -92.661 flat angles C4'-P-C4' energy: -83.348 flat angles P-C4'-P energy: -55.975 tors. eta vs tors. theta energy: -54.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -783.994520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.994520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.994520 (E_RNA) where: Base-Base interactions energy: -458.275 where: short stacking energy: -223.827 Base-Backbone interact. energy: -2.283 local terms energy: -323.435768 where: bonds (distance) C4'-P energy: -66.325 bonds (distance) P-C4' energy: -90.029 flat angles C4'-P-C4' energy: -76.046 flat angles P-C4'-P energy: -48.732 tors. eta vs tors. theta energy: -42.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -571.609193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.609193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.609193 (E_RNA) where: Base-Base interactions energy: -273.541 where: short stacking energy: -155.548 Base-Backbone interact. energy: 0.281 local terms energy: -298.349178 where: bonds (distance) C4'-P energy: -79.150 bonds (distance) P-C4' energy: -89.160 flat angles C4'-P-C4' energy: -79.152 flat angles P-C4'-P energy: -40.293 tors. eta vs tors. theta energy: -10.593 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: 8 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -542.921542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.921542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.921542 (E_RNA) where: Base-Base interactions energy: -264.848 where: short stacking energy: -144.256 Base-Backbone interact. energy: -1.360 local terms energy: -276.713740 where: bonds (distance) C4'-P energy: -60.392 bonds (distance) P-C4' energy: -82.520 flat angles C4'-P-C4' energy: -78.091 flat angles P-C4'-P energy: -41.662 tors. eta vs tors. theta energy: -14.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1489.798400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.798400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.798400 (E_RNA) where: Base-Base interactions energy: -990.351 where: short stacking energy: -465.938 Base-Backbone interact. energy: -2.072 local terms energy: -497.374652 where: bonds (distance) C4'-P energy: -101.759 bonds (distance) P-C4' energy: -92.342 flat angles C4'-P-C4' energy: -103.020 flat angles P-C4'-P energy: -67.044 tors. eta vs tors. theta energy: -133.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1435.036440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.036440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.036440 (E_RNA) where: Base-Base interactions energy: -976.823 where: short stacking energy: -466.124 Base-Backbone interact. energy: -0.771 local terms energy: -457.442766 where: bonds (distance) C4'-P energy: -90.288 bonds (distance) P-C4' energy: -85.477 flat angles C4'-P-C4' energy: -89.344 flat angles P-C4'-P energy: -62.597 tors. eta vs tors. theta energy: -129.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1295.116222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.116222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.116222 (E_RNA) where: Base-Base interactions energy: -849.704 where: short stacking energy: -380.357 Base-Backbone interact. energy: 3.904 local terms energy: -449.315501 where: bonds (distance) C4'-P energy: -76.861 bonds (distance) P-C4' energy: -99.735 flat angles C4'-P-C4' energy: -100.592 flat angles P-C4'-P energy: -68.273 tors. eta vs tors. theta energy: -103.854 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: 4, replica: 10 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1122.609910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.609910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.609910 (E_RNA) where: Base-Base interactions energy: -696.603 where: short stacking energy: -322.143 Base-Backbone interact. energy: -2.425 local terms energy: -423.581180 where: bonds (distance) C4'-P energy: -78.738 bonds (distance) P-C4' energy: -93.972 flat angles C4'-P-C4' energy: -100.678 flat angles P-C4'-P energy: -59.925 tors. eta vs tors. theta energy: -90.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -1053.122053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.122053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.122053 (E_RNA) where: Base-Base interactions energy: -652.137 where: short stacking energy: -316.828 Base-Backbone interact. energy: -1.486 local terms energy: -399.498896 where: bonds (distance) C4'-P energy: -89.305 bonds (distance) P-C4' energy: -89.510 flat angles C4'-P-C4' energy: -89.216 flat angles P-C4'-P energy: -61.222 tors. eta vs tors. theta energy: -70.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1036.504271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.504271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.504271 (E_RNA) where: Base-Base interactions energy: -666.178 where: short stacking energy: -304.138 Base-Backbone interact. energy: 1.877 local terms energy: -372.203306 where: bonds (distance) C4'-P energy: -83.324 bonds (distance) P-C4' energy: -91.081 flat angles C4'-P-C4' energy: -92.491 flat angles P-C4'-P energy: -45.120 tors. eta vs tors. theta energy: -60.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1034.020241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.020241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.020241 (E_RNA) where: Base-Base interactions energy: -650.952 where: short stacking energy: -297.970 Base-Backbone interact. energy: -2.483 local terms energy: -380.585262 where: bonds (distance) C4'-P energy: -77.023 bonds (distance) P-C4' energy: -92.395 flat angles C4'-P-C4' energy: -90.190 flat angles P-C4'-P energy: -39.513 tors. eta vs tors. theta energy: -81.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -778.485321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.485321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.485321 (E_RNA) where: Base-Base interactions energy: -469.608 where: short stacking energy: -219.719 Base-Backbone interact. energy: 0.756 local terms energy: -309.634011 where: bonds (distance) C4'-P energy: -79.158 bonds (distance) P-C4' energy: -71.174 flat angles C4'-P-C4' energy: -86.452 flat angles P-C4'-P energy: -46.696 tors. eta vs tors. theta energy: -26.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -537.270075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.270075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.270075 (E_RNA) where: Base-Base interactions energy: -273.113 where: short stacking energy: -163.706 Base-Backbone interact. energy: 0.139 local terms energy: -264.295958 where: bonds (distance) C4'-P energy: -68.056 bonds (distance) P-C4' energy: -90.626 flat angles C4'-P-C4' energy: -68.429 flat angles P-C4'-P energy: -45.945 tors. eta vs tors. theta energy: 8.760 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: 8 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -517.371388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.371388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.371388 (E_RNA) where: Base-Base interactions energy: -243.014 where: short stacking energy: -154.226 Base-Backbone interact. energy: 3.838 local terms energy: -278.195900 where: bonds (distance) C4'-P energy: -65.548 bonds (distance) P-C4' energy: -82.534 flat angles C4'-P-C4' energy: -74.225 flat angles P-C4'-P energy: -40.931 tors. eta vs tors. theta energy: -14.958 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: 9 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1521.617224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.617224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.617224 (E_RNA) where: Base-Base interactions energy: -1001.720 where: short stacking energy: -479.523 Base-Backbone interact. energy: -1.721 local terms energy: -518.175706 where: bonds (distance) C4'-P energy: -96.170 bonds (distance) P-C4' energy: -92.571 flat angles C4'-P-C4' energy: -116.780 flat angles P-C4'-P energy: -75.077 tors. eta vs tors. theta energy: -137.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1423.904485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.904485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.904485 (E_RNA) where: Base-Base interactions energy: -936.020 where: short stacking energy: -442.503 Base-Backbone interact. energy: 0.488 local terms energy: -488.372783 where: bonds (distance) C4'-P energy: -93.575 bonds (distance) P-C4' energy: -94.126 flat angles C4'-P-C4' energy: -105.974 flat angles P-C4'-P energy: -61.536 tors. eta vs tors. theta energy: -133.163 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: 2 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1304.755345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.755345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.755345 (E_RNA) where: Base-Base interactions energy: -842.001 where: short stacking energy: -385.659 Base-Backbone interact. energy: -0.327 local terms energy: -462.426909 where: bonds (distance) C4'-P energy: -90.979 bonds (distance) P-C4' energy: -94.499 flat angles C4'-P-C4' energy: -95.984 flat angles P-C4'-P energy: -66.703 tors. eta vs tors. theta energy: -114.262 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: 10 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1147.622510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.622510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.622510 (E_RNA) where: Base-Base interactions energy: -726.609 where: short stacking energy: -335.479 Base-Backbone interact. energy: -2.332 local terms energy: -418.681195 where: bonds (distance) C4'-P energy: -80.982 bonds (distance) P-C4' energy: -100.718 flat angles C4'-P-C4' energy: -85.533 flat angles P-C4'-P energy: -66.392 tors. eta vs tors. theta energy: -85.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1112.792063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.792063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.792063 (E_RNA) where: Base-Base interactions energy: -716.796 where: short stacking energy: -341.844 Base-Backbone interact. energy: -0.185 local terms energy: -395.811006 where: bonds (distance) C4'-P energy: -81.371 bonds (distance) P-C4' energy: -98.860 flat angles C4'-P-C4' energy: -81.864 flat angles P-C4'-P energy: -58.141 tors. eta vs tors. theta energy: -75.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1066.515526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.515526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.515526 (E_RNA) where: Base-Base interactions energy: -685.179 where: short stacking energy: -320.484 Base-Backbone interact. energy: -1.107 local terms energy: -380.229466 where: bonds (distance) C4'-P energy: -85.141 bonds (distance) P-C4' energy: -76.085 flat angles C4'-P-C4' energy: -90.682 flat angles P-C4'-P energy: -53.764 tors. eta vs tors. theta energy: -74.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -968.508873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.508873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.508873 (E_RNA) where: Base-Base interactions energy: -618.727 where: short stacking energy: -258.212 Base-Backbone interact. energy: -2.286 local terms energy: -347.495888 where: bonds (distance) C4'-P energy: -74.400 bonds (distance) P-C4' energy: -86.573 flat angles C4'-P-C4' energy: -74.303 flat angles P-C4'-P energy: -62.950 tors. eta vs tors. theta energy: -49.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -809.309074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.309074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.309074 (E_RNA) where: Base-Base interactions energy: -487.609 where: short stacking energy: -205.642 Base-Backbone interact. energy: -1.160 local terms energy: -320.539262 where: bonds (distance) C4'-P energy: -93.212 bonds (distance) P-C4' energy: -82.542 flat angles C4'-P-C4' energy: -87.573 flat angles P-C4'-P energy: -20.659 tors. eta vs tors. theta energy: -36.554 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: 4 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -531.368713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.368713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.368713 (E_RNA) where: Base-Base interactions energy: -239.140 where: short stacking energy: -141.710 Base-Backbone interact. energy: -1.124 local terms energy: -291.105204 where: bonds (distance) C4'-P energy: -75.803 bonds (distance) P-C4' energy: -84.387 flat angles C4'-P-C4' energy: -62.558 flat angles P-C4'-P energy: -58.089 tors. eta vs tors. theta energy: -10.269 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: 8 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -525.638080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.638080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.638080 (E_RNA) where: Base-Base interactions energy: -264.090 where: short stacking energy: -141.596 Base-Backbone interact. energy: 1.111 local terms energy: -262.659103 where: bonds (distance) C4'-P energy: -68.153 bonds (distance) P-C4' energy: -89.286 flat angles C4'-P-C4' energy: -64.265 flat angles P-C4'-P energy: -42.675 tors. eta vs tors. theta energy: 1.720 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: 9 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1502.779618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.779618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.779618 (E_RNA) where: Base-Base interactions energy: -1009.584 where: short stacking energy: -459.917 Base-Backbone interact. energy: -2.038 local terms energy: -491.157309 where: bonds (distance) C4'-P energy: -85.036 bonds (distance) P-C4' energy: -99.119 flat angles C4'-P-C4' energy: -112.567 flat angles P-C4'-P energy: -62.749 tors. eta vs tors. theta energy: -131.686 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: 5 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1425.349819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.349819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.349819 (E_RNA) where: Base-Base interactions energy: -947.826 where: short stacking energy: -439.477 Base-Backbone interact. energy: -1.243 local terms energy: -476.280376 where: bonds (distance) C4'-P energy: -90.282 bonds (distance) P-C4' energy: -88.128 flat angles C4'-P-C4' energy: -98.398 flat angles P-C4'-P energy: -73.370 tors. eta vs tors. theta energy: -126.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1343.888391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.888391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.888391 (E_RNA) where: Base-Base interactions energy: -872.532 where: short stacking energy: -403.411 Base-Backbone interact. energy: -1.688 local terms energy: -469.668693 where: bonds (distance) C4'-P energy: -87.278 bonds (distance) P-C4' energy: -92.418 flat angles C4'-P-C4' energy: -105.505 flat angles P-C4'-P energy: -64.806 tors. eta vs tors. theta energy: -119.661 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: 10 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1119.172431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.172431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.172431 (E_RNA) where: Base-Base interactions energy: -695.783 where: short stacking energy: -355.967 Base-Backbone interact. energy: -0.853 local terms energy: -422.535833 where: bonds (distance) C4'-P energy: -94.090 bonds (distance) P-C4' energy: -93.437 flat angles C4'-P-C4' energy: -89.821 flat angles P-C4'-P energy: -69.402 tors. eta vs tors. theta energy: -75.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1098.369610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.369610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.369610 (E_RNA) where: Base-Base interactions energy: -712.481 where: short stacking energy: -352.618 Base-Backbone interact. energy: -2.783 local terms energy: -383.105857 where: bonds (distance) C4'-P energy: -73.950 bonds (distance) P-C4' energy: -86.274 flat angles C4'-P-C4' energy: -81.479 flat angles P-C4'-P energy: -62.577 tors. eta vs tors. theta energy: -78.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -1050.859565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.859565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.859565 (E_RNA) where: Base-Base interactions energy: -671.576 where: short stacking energy: -312.093 Base-Backbone interact. energy: 6.253 local terms energy: -385.535955 where: bonds (distance) C4'-P energy: -77.791 bonds (distance) P-C4' energy: -84.268 flat angles C4'-P-C4' energy: -94.284 flat angles P-C4'-P energy: -45.683 tors. eta vs tors. theta energy: -83.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -886.629071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.629071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.629071 (E_RNA) where: Base-Base interactions energy: -549.321 where: short stacking energy: -251.235 Base-Backbone interact. energy: 1.572 local terms energy: -338.880751 where: bonds (distance) C4'-P energy: -96.894 bonds (distance) P-C4' energy: -79.847 flat angles C4'-P-C4' energy: -69.984 flat angles P-C4'-P energy: -39.633 tors. eta vs tors. theta energy: -52.524 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: 3 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -937.721521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.721521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.721521 (E_RNA) where: Base-Base interactions energy: -578.715 where: short stacking energy: -263.602 Base-Backbone interact. energy: 2.377 local terms energy: -361.384412 where: bonds (distance) C4'-P energy: -71.429 bonds (distance) P-C4' energy: -96.486 flat angles C4'-P-C4' energy: -92.194 flat angles P-C4'-P energy: -58.753 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: 9, replica: 8 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -557.523324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.523324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.523324 (E_RNA) where: Base-Base interactions energy: -256.770 where: short stacking energy: -129.629 Base-Backbone interact. energy: 1.105 local terms energy: -301.858712 where: bonds (distance) C4'-P energy: -86.115 bonds (distance) P-C4' energy: -84.068 flat angles C4'-P-C4' energy: -73.823 flat angles P-C4'-P energy: -44.628 tors. eta vs tors. theta energy: -13.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -488.106745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.106745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.106745 (E_RNA) where: Base-Base interactions energy: -219.080 where: short stacking energy: -132.773 Base-Backbone interact. energy: -0.370 local terms energy: -268.657218 where: bonds (distance) C4'-P energy: -61.224 bonds (distance) P-C4' energy: -87.041 flat angles C4'-P-C4' energy: -81.830 flat angles P-C4'-P energy: -48.058 tors. eta vs tors. theta energy: 9.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1497.409096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.409096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.409096 (E_RNA) where: Base-Base interactions energy: -986.683 where: short stacking energy: -456.827 Base-Backbone interact. energy: -1.106 local terms energy: -509.619899 where: bonds (distance) C4'-P energy: -105.242 bonds (distance) P-C4' energy: -92.155 flat angles C4'-P-C4' energy: -103.333 flat angles P-C4'-P energy: -73.762 tors. eta vs tors. theta energy: -135.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1405.207364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.207364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.207364 (E_RNA) where: Base-Base interactions energy: -928.881 where: short stacking energy: -454.579 Base-Backbone interact. energy: -2.067 local terms energy: -474.259862 where: bonds (distance) C4'-P energy: -94.925 bonds (distance) P-C4' energy: -91.408 flat angles C4'-P-C4' energy: -97.753 flat angles P-C4'-P energy: -64.812 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: 3, replica: 2 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1295.282914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.282914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.282914 (E_RNA) where: Base-Base interactions energy: -850.623 where: short stacking energy: -391.209 Base-Backbone interact. energy: -3.466 local terms energy: -441.193759 where: bonds (distance) C4'-P energy: -90.452 bonds (distance) P-C4' energy: -87.112 flat angles C4'-P-C4' energy: -96.848 flat angles P-C4'-P energy: -68.117 tors. eta vs tors. theta energy: -98.665 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: 10 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1158.369265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.369265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.369265 (E_RNA) where: Base-Base interactions energy: -734.955 where: short stacking energy: -336.140 Base-Backbone interact. energy: -1.756 local terms energy: -421.658736 where: bonds (distance) C4'-P energy: -97.133 bonds (distance) P-C4' energy: -98.363 flat angles C4'-P-C4' energy: -97.217 flat angles P-C4'-P energy: -49.884 tors. eta vs tors. theta energy: -79.062 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: 7 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1060.996383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.996383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.996383 (E_RNA) where: Base-Base interactions energy: -666.182 where: short stacking energy: -303.558 Base-Backbone interact. energy: -1.629 local terms energy: -393.185550 where: bonds (distance) C4'-P energy: -81.925 bonds (distance) P-C4' energy: -97.050 flat angles C4'-P-C4' energy: -92.867 flat angles P-C4'-P energy: -62.421 tors. eta vs tors. theta energy: -58.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1067.278676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.278676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.278676 (E_RNA) where: Base-Base interactions energy: -664.495 where: short stacking energy: -322.114 Base-Backbone interact. energy: 1.041 local terms energy: -403.824738 where: bonds (distance) C4'-P energy: -87.558 bonds (distance) P-C4' energy: -85.277 flat angles C4'-P-C4' energy: -94.840 flat angles P-C4'-P energy: -62.348 tors. eta vs tors. theta energy: -73.802 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: 1 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -886.686470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.686470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.686470 (E_RNA) where: Base-Base interactions energy: -515.265 where: short stacking energy: -263.778 Base-Backbone interact. energy: 1.531 local terms energy: -372.951656 where: bonds (distance) C4'-P energy: -63.811 bonds (distance) P-C4' energy: -91.254 flat angles C4'-P-C4' energy: -100.058 flat angles P-C4'-P energy: -55.323 tors. eta vs tors. theta energy: -62.505 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: 8, replica: 3 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -897.179131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.179131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.179131 (E_RNA) where: Base-Base interactions energy: -558.367 where: short stacking energy: -251.477 Base-Backbone interact. energy: -2.200 local terms energy: -336.612760 where: bonds (distance) C4'-P energy: -79.417 bonds (distance) P-C4' energy: -80.044 flat angles C4'-P-C4' energy: -75.402 flat angles P-C4'-P energy: -52.658 tors. eta vs tors. theta energy: -49.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -576.399523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.399523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.399523 (E_RNA) where: Base-Base interactions energy: -303.405 where: short stacking energy: -154.550 Base-Backbone interact. energy: 1.678 local terms energy: -274.672077 where: bonds (distance) C4'-P energy: -74.587 bonds (distance) P-C4' energy: -87.002 flat angles C4'-P-C4' energy: -69.318 flat angles P-C4'-P energy: -33.233 tors. eta vs tors. theta energy: -10.532 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: 4 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -517.812524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.812524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.812524 (E_RNA) where: Base-Base interactions energy: -247.713 where: short stacking energy: -153.582 Base-Backbone interact. energy: 1.661 local terms energy: -271.759960 where: bonds (distance) C4'-P energy: -57.026 bonds (distance) P-C4' energy: -96.684 flat angles C4'-P-C4' energy: -53.317 flat angles P-C4'-P energy: -46.611 tors. eta vs tors. theta energy: -18.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1518.643254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.643254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.643254 (E_RNA) where: Base-Base interactions energy: -1009.176 where: short stacking energy: -472.675 Base-Backbone interact. energy: -0.450 local terms energy: -509.016773 where: bonds (distance) C4'-P energy: -91.144 bonds (distance) P-C4' energy: -88.065 flat angles C4'-P-C4' energy: -113.807 flat angles P-C4'-P energy: -67.467 tors. eta vs tors. theta energy: -148.533 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: 5 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1397.848352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.848352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.848352 (E_RNA) where: Base-Base interactions energy: -925.850 where: short stacking energy: -439.514 Base-Backbone interact. energy: -3.579 local terms energy: -468.419494 where: bonds (distance) C4'-P energy: -86.130 bonds (distance) P-C4' energy: -90.908 flat angles C4'-P-C4' energy: -102.795 flat angles P-C4'-P energy: -72.031 tors. eta vs tors. theta energy: -116.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1314.417125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.417125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.417125 (E_RNA) where: Base-Base interactions energy: -853.490 where: short stacking energy: -419.139 Base-Backbone interact. energy: -0.298 local terms energy: -460.629218 where: bonds (distance) C4'-P energy: -85.982 bonds (distance) P-C4' energy: -100.707 flat angles C4'-P-C4' energy: -92.691 flat angles P-C4'-P energy: -60.930 tors. eta vs tors. theta energy: -120.319 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: 10 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1197.993064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.993064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.993064 (E_RNA) where: Base-Base interactions energy: -741.045 where: short stacking energy: -314.776 Base-Backbone interact. energy: -1.243 local terms energy: -455.705235 where: bonds (distance) C4'-P energy: -84.888 bonds (distance) P-C4' energy: -102.921 flat angles C4'-P-C4' energy: -107.785 flat angles P-C4'-P energy: -70.532 tors. eta vs tors. theta energy: -89.580 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: 6 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1099.659685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.659685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.659685 (E_RNA) where: Base-Base interactions energy: -693.380 where: short stacking energy: -324.558 Base-Backbone interact. energy: -1.463 local terms energy: -404.816816 where: bonds (distance) C4'-P energy: -94.220 bonds (distance) P-C4' energy: -98.684 flat angles C4'-P-C4' energy: -87.780 flat angles P-C4'-P energy: -54.753 tors. eta vs tors. theta energy: -69.380 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: 6, replica: 7 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1010.473522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.473522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.473522 (E_RNA) where: Base-Base interactions energy: -626.076 where: short stacking energy: -270.688 Base-Backbone interact. energy: -1.435 local terms energy: -382.962614 where: bonds (distance) C4'-P energy: -85.365 bonds (distance) P-C4' energy: -91.644 flat angles C4'-P-C4' energy: -91.799 flat angles P-C4'-P energy: -52.456 tors. eta vs tors. theta energy: -61.699 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: 3 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -961.606186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.606186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.606186 (E_RNA) where: Base-Base interactions energy: -588.422 where: short stacking energy: -268.300 Base-Backbone interact. energy: -1.590 local terms energy: -371.594276 where: bonds (distance) C4'-P energy: -86.310 bonds (distance) P-C4' energy: -85.840 flat angles C4'-P-C4' energy: -78.911 flat angles P-C4'-P energy: -60.793 tors. eta vs tors. theta energy: -59.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -862.985940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.985940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.985940 (E_RNA) where: Base-Base interactions energy: -522.008 where: short stacking energy: -249.705 Base-Backbone interact. energy: 3.586 local terms energy: -344.564008 where: bonds (distance) C4'-P energy: -67.849 bonds (distance) P-C4' energy: -88.428 flat angles C4'-P-C4' energy: -74.567 flat angles P-C4'-P energy: -66.712 tors. eta vs tors. theta energy: -47.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -529.765987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.765987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.765987 (E_RNA) where: Base-Base interactions energy: -236.731 where: short stacking energy: -143.368 Base-Backbone interact. energy: -2.370 local terms energy: -290.665301 where: bonds (distance) C4'-P energy: -74.998 bonds (distance) P-C4' energy: -88.892 flat angles C4'-P-C4' energy: -74.070 flat angles P-C4'-P energy: -52.521 tors. eta vs tors. theta energy: -0.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -529.094125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.094125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.094125 (E_RNA) where: Base-Base interactions energy: -266.141 where: short stacking energy: -134.087 Base-Backbone interact. energy: -2.090 local terms energy: -260.863954 where: bonds (distance) C4'-P energy: -78.811 bonds (distance) P-C4' energy: -67.460 flat angles C4'-P-C4' energy: -72.327 flat angles P-C4'-P energy: -46.757 tors. eta vs tors. theta energy: 4.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1533.229039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.229039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.229039 (E_RNA) where: Base-Base interactions energy: -1035.068 where: short stacking energy: -461.404 Base-Backbone interact. energy: -3.733 local terms energy: -494.428101 where: bonds (distance) C4'-P energy: -85.096 bonds (distance) P-C4' energy: -106.121 flat angles C4'-P-C4' energy: -107.570 flat angles P-C4'-P energy: -64.360 tors. eta vs tors. theta energy: -131.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1421.530205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.530205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.530205 (E_RNA) where: Base-Base interactions energy: -923.052 where: short stacking energy: -453.433 Base-Backbone interact. energy: -3.766 local terms energy: -494.712689 where: bonds (distance) C4'-P energy: -97.306 bonds (distance) P-C4' energy: -98.952 flat angles C4'-P-C4' energy: -94.771 flat angles P-C4'-P energy: -74.581 tors. eta vs tors. theta energy: -129.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1336.205512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.205512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.205512 (E_RNA) where: Base-Base interactions energy: -873.823 where: short stacking energy: -421.459 Base-Backbone interact. energy: -1.721 local terms energy: -460.662121 where: bonds (distance) C4'-P energy: -88.104 bonds (distance) P-C4' energy: -86.641 flat angles C4'-P-C4' energy: -103.476 flat angles P-C4'-P energy: -57.979 tors. eta vs tors. theta energy: -124.461 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: 10 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1215.910003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.910003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.910003 (E_RNA) where: Base-Base interactions energy: -787.507 where: short stacking energy: -369.130 Base-Backbone interact. energy: -1.078 local terms energy: -427.325545 where: bonds (distance) C4'-P energy: -78.598 bonds (distance) P-C4' energy: -92.053 flat angles C4'-P-C4' energy: -103.046 flat angles P-C4'-P energy: -55.854 tors. eta vs tors. theta energy: -97.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1069.748656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.748656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.748656 (E_RNA) where: Base-Base interactions energy: -670.225 where: short stacking energy: -320.078 Base-Backbone interact. energy: 1.625 local terms energy: -401.148739 where: bonds (distance) C4'-P energy: -87.579 bonds (distance) P-C4' energy: -87.337 flat angles C4'-P-C4' energy: -90.207 flat angles P-C4'-P energy: -63.447 tors. eta vs tors. theta energy: -72.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1013.475450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.475450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.475450 (E_RNA) where: Base-Base interactions energy: -635.179 where: short stacking energy: -294.152 Base-Backbone interact. energy: -1.163 local terms energy: -377.133404 where: bonds (distance) C4'-P energy: -87.314 bonds (distance) P-C4' energy: -85.810 flat angles C4'-P-C4' energy: -95.940 flat angles P-C4'-P energy: -53.536 tors. eta vs tors. theta energy: -54.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1026.466626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.466626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.466626 (E_RNA) where: Base-Base interactions energy: -656.699 where: short stacking energy: -307.495 Base-Backbone interact. energy: -1.193 local terms energy: -368.574315 where: bonds (distance) C4'-P energy: -76.646 bonds (distance) P-C4' energy: -88.801 flat angles C4'-P-C4' energy: -90.407 flat angles P-C4'-P energy: -38.759 tors. eta vs tors. theta energy: -73.961 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: 1 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -789.152973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.152973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.152973 (E_RNA) where: Base-Base interactions energy: -465.354 where: short stacking energy: -226.889 Base-Backbone interact. energy: -1.591 local terms energy: -322.208108 where: bonds (distance) C4'-P energy: -86.860 bonds (distance) P-C4' energy: -74.183 flat angles C4'-P-C4' energy: -79.072 flat angles P-C4'-P energy: -43.806 tors. eta vs tors. theta energy: -38.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -513.529560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.529560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.529560 (E_RNA) where: Base-Base interactions energy: -239.664 where: short stacking energy: -150.558 Base-Backbone interact. energy: -0.757 local terms energy: -273.109209 where: bonds (distance) C4'-P energy: -71.553 bonds (distance) P-C4' energy: -85.796 flat angles C4'-P-C4' energy: -70.227 flat angles P-C4'-P energy: -51.635 tors. eta vs tors. theta energy: 6.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -507.077901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.077901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.077901 (E_RNA) where: Base-Base interactions energy: -233.734 where: short stacking energy: -147.679 Base-Backbone interact. energy: -0.091 local terms energy: -273.252448 where: bonds (distance) C4'-P energy: -64.951 bonds (distance) P-C4' energy: -86.518 flat angles C4'-P-C4' energy: -71.890 flat angles P-C4'-P energy: -46.467 tors. eta vs tors. theta energy: -3.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1523.135930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.135930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.135930 (E_RNA) where: Base-Base interactions energy: -1004.084 where: short stacking energy: -450.930 Base-Backbone interact. energy: -0.825 local terms energy: -518.227466 where: bonds (distance) C4'-P energy: -101.224 bonds (distance) P-C4' energy: -107.879 flat angles C4'-P-C4' energy: -95.809 flat angles P-C4'-P energy: -74.888 tors. eta vs tors. theta energy: -138.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1399.789438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.789438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.789438 (E_RNA) where: Base-Base interactions energy: -910.245 where: short stacking energy: -439.606 Base-Backbone interact. energy: -0.950 local terms energy: -488.593930 where: bonds (distance) C4'-P energy: -97.676 bonds (distance) P-C4' energy: -93.639 flat angles C4'-P-C4' energy: -108.473 flat angles P-C4'-P energy: -64.862 tors. eta vs tors. theta energy: -123.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1384.694253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.694253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.694253 (E_RNA) where: Base-Base interactions energy: -876.056 where: short stacking energy: -423.440 Base-Backbone interact. energy: -2.412 local terms energy: -506.226682 where: bonds (distance) C4'-P energy: -94.008 bonds (distance) P-C4' energy: -94.345 flat angles C4'-P-C4' energy: -108.467 flat angles P-C4'-P energy: -75.646 tors. eta vs tors. theta energy: -133.760 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: 10 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -1191.500534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.500534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.500534 (E_RNA) where: Base-Base interactions energy: -755.016 where: short stacking energy: -334.235 Base-Backbone interact. energy: -0.990 local terms energy: -435.495313 where: bonds (distance) C4'-P energy: -96.280 bonds (distance) P-C4' energy: -92.493 flat angles C4'-P-C4' energy: -95.058 flat angles P-C4'-P energy: -65.437 tors. eta vs tors. theta energy: -86.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -1076.670847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.670847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.670847 (E_RNA) where: Base-Base interactions energy: -671.167 where: short stacking energy: -310.407 Base-Backbone interact. energy: 0.032 local terms energy: -405.535655 where: bonds (distance) C4'-P energy: -82.979 bonds (distance) P-C4' energy: -86.641 flat angles C4'-P-C4' energy: -94.345 flat angles P-C4'-P energy: -62.661 tors. eta vs tors. theta energy: -78.911 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: 6, replica: 7 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1098.961039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.961039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.961039 (E_RNA) where: Base-Base interactions energy: -687.110 where: short stacking energy: -326.911 Base-Backbone interact. energy: -1.054 local terms energy: -410.796762 where: bonds (distance) C4'-P energy: -87.079 bonds (distance) P-C4' energy: -84.967 flat angles C4'-P-C4' energy: -86.011 flat angles P-C4'-P energy: -68.828 tors. eta vs tors. theta energy: -83.912 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: 3 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -970.193003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.193003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.193003 (E_RNA) where: Base-Base interactions energy: -612.900 where: short stacking energy: -299.836 Base-Backbone interact. energy: -1.789 local terms energy: -355.503500 where: bonds (distance) C4'-P energy: -68.242 bonds (distance) P-C4' energy: -95.252 flat angles C4'-P-C4' energy: -89.038 flat angles P-C4'-P energy: -47.179 tors. eta vs tors. theta energy: -55.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -845.805192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.805192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.805192 (E_RNA) where: Base-Base interactions energy: -513.147 where: short stacking energy: -241.017 Base-Backbone interact. energy: -0.860 local terms energy: -331.798565 where: bonds (distance) C4'-P energy: -78.703 bonds (distance) P-C4' energy: -86.265 flat angles C4'-P-C4' energy: -81.797 flat angles P-C4'-P energy: -51.238 tors. eta vs tors. theta energy: -33.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -566.749761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.749761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.749761 (E_RNA) where: Base-Base interactions energy: -277.131 where: short stacking energy: -158.036 Base-Backbone interact. energy: -2.197 local terms energy: -287.421323 where: bonds (distance) C4'-P energy: -78.596 bonds (distance) P-C4' energy: -81.904 flat angles C4'-P-C4' energy: -81.055 flat angles P-C4'-P energy: -49.813 tors. eta vs tors. theta energy: 3.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -482.532419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.532419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.532419 (E_RNA) where: Base-Base interactions energy: -238.448 where: short stacking energy: -138.924 Base-Backbone interact. energy: 1.411 local terms energy: -245.495916 where: bonds (distance) C4'-P energy: -70.963 bonds (distance) P-C4' energy: -73.323 flat angles C4'-P-C4' energy: -72.325 flat angles P-C4'-P energy: -38.525 tors. eta vs tors. theta energy: 9.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1544.790599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.790599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.790599 (E_RNA) where: Base-Base interactions energy: -1027.656 where: short stacking energy: -483.488 Base-Backbone interact. energy: -2.453 local terms energy: -514.681797 where: bonds (distance) C4'-P energy: -85.288 bonds (distance) P-C4' energy: -94.250 flat angles C4'-P-C4' energy: -108.321 flat angles P-C4'-P energy: -85.723 tors. eta vs tors. theta energy: -141.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1454.029146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.029146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.029146 (E_RNA) where: Base-Base interactions energy: -967.568 where: short stacking energy: -449.070 Base-Backbone interact. energy: -2.281 local terms energy: -484.179835 where: bonds (distance) C4'-P energy: -77.765 bonds (distance) P-C4' energy: -101.406 flat angles C4'-P-C4' energy: -103.707 flat angles P-C4'-P energy: -66.841 tors. eta vs tors. theta energy: -134.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1380.360355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.360355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.360355 (E_RNA) where: Base-Base interactions energy: -893.534 where: short stacking energy: -411.616 Base-Backbone interact. energy: -1.394 local terms energy: -485.432465 where: bonds (distance) C4'-P energy: -97.166 bonds (distance) P-C4' energy: -95.032 flat angles C4'-P-C4' energy: -96.750 flat angles P-C4'-P energy: -59.544 tors. eta vs tors. theta energy: -136.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1201.446690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.446690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.446690 (E_RNA) where: Base-Base interactions energy: -783.632 where: short stacking energy: -380.708 Base-Backbone interact. energy: -2.041 local terms energy: -415.773564 where: bonds (distance) C4'-P energy: -82.738 bonds (distance) P-C4' energy: -81.302 flat angles C4'-P-C4' energy: -95.355 flat angles P-C4'-P energy: -59.350 tors. eta vs tors. theta energy: -97.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1121.843908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.843908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.843908 (E_RNA) where: Base-Base interactions energy: -685.512 where: short stacking energy: -324.930 Base-Backbone interact. energy: 0.358 local terms energy: -436.689836 where: bonds (distance) C4'-P energy: -89.634 bonds (distance) P-C4' energy: -100.437 flat angles C4'-P-C4' energy: -93.843 flat angles P-C4'-P energy: -56.765 tors. eta vs tors. theta energy: -96.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1059.008949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.008949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.008949 (E_RNA) where: Base-Base interactions energy: -650.246 where: short stacking energy: -314.575 Base-Backbone interact. energy: -1.766 local terms energy: -406.996246 where: bonds (distance) C4'-P energy: -83.388 bonds (distance) P-C4' energy: -91.332 flat angles C4'-P-C4' energy: -95.459 flat angles P-C4'-P energy: -67.866 tors. eta vs tors. theta energy: -68.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -869.300671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.300671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.300671 (E_RNA) where: Base-Base interactions energy: -522.619 where: short stacking energy: -245.947 Base-Backbone interact. energy: -0.629 local terms energy: -346.052763 where: bonds (distance) C4'-P energy: -81.881 bonds (distance) P-C4' energy: -82.702 flat angles C4'-P-C4' energy: -80.651 flat angles P-C4'-P energy: -67.615 tors. eta vs tors. theta energy: -33.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -844.312750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.312750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.312750 (E_RNA) where: Base-Base interactions energy: -518.320 where: short stacking energy: -250.023 Base-Backbone interact. energy: 5.560 local terms energy: -331.552623 where: bonds (distance) C4'-P energy: -74.103 bonds (distance) P-C4' energy: -70.840 flat angles C4'-P-C4' energy: -86.265 flat angles P-C4'-P energy: -48.428 tors. eta vs tors. theta energy: -51.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -526.854842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.854842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.854842 (E_RNA) where: Base-Base interactions energy: -250.134 where: short stacking energy: -143.358 Base-Backbone interact. energy: -0.607 local terms energy: -276.113568 where: bonds (distance) C4'-P energy: -77.646 bonds (distance) P-C4' energy: -72.272 flat angles C4'-P-C4' energy: -73.588 flat angles P-C4'-P energy: -57.641 tors. eta vs tors. theta energy: 5.033 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: 413 Temperature: 1.350000 Total energy: -486.126405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.126405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.126405 (E_RNA) where: Base-Base interactions energy: -211.617 where: short stacking energy: -133.385 Base-Backbone interact. energy: 2.934 local terms energy: -277.442808 where: bonds (distance) C4'-P energy: -78.910 bonds (distance) P-C4' energy: -84.353 flat angles C4'-P-C4' energy: -74.009 flat angles P-C4'-P energy: -42.198 tors. eta vs tors. theta energy: 2.027 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: 9 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1545.730911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.730911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.730911 (E_RNA) where: Base-Base interactions energy: -1019.661 where: short stacking energy: -471.906 Base-Backbone interact. energy: -1.576 local terms energy: -524.493994 where: bonds (distance) C4'-P energy: -93.137 bonds (distance) P-C4' energy: -99.112 flat angles C4'-P-C4' energy: -113.828 flat angles P-C4'-P energy: -71.172 tors. eta vs tors. theta energy: -147.245 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: 5 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1459.389138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.389138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.389138 (E_RNA) where: Base-Base interactions energy: -955.719 where: short stacking energy: -450.750 Base-Backbone interact. energy: -2.521 local terms energy: -501.148992 where: bonds (distance) C4'-P energy: -98.714 bonds (distance) P-C4' energy: -96.745 flat angles C4'-P-C4' energy: -102.019 flat angles P-C4'-P energy: -59.490 tors. eta vs tors. theta energy: -144.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1412.511570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.511570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.511570 (E_RNA) where: Base-Base interactions energy: -908.033 where: short stacking energy: -415.189 Base-Backbone interact. energy: -2.763 local terms energy: -501.715938 where: bonds (distance) C4'-P energy: -99.770 bonds (distance) P-C4' energy: -96.706 flat angles C4'-P-C4' energy: -109.454 flat angles P-C4'-P energy: -62.347 tors. eta vs tors. theta energy: -133.438 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: 10 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1220.633414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.633414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.633414 (E_RNA) where: Base-Base interactions energy: -784.565 where: short stacking energy: -369.234 Base-Backbone interact. energy: 0.342 local terms energy: -436.410802 where: bonds (distance) C4'-P energy: -92.043 bonds (distance) P-C4' energy: -90.460 flat angles C4'-P-C4' energy: -89.562 flat angles P-C4'-P energy: -62.818 tors. eta vs tors. theta energy: -101.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -1142.756507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.756507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.756507 (E_RNA) where: Base-Base interactions energy: -713.615 where: short stacking energy: -352.761 Base-Backbone interact. energy: -0.844 local terms energy: -428.297927 where: bonds (distance) C4'-P energy: -91.203 bonds (distance) P-C4' energy: -93.710 flat angles C4'-P-C4' energy: -88.744 flat angles P-C4'-P energy: -55.769 tors. eta vs tors. theta energy: -98.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -1012.738800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.738800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.738800 (E_RNA) where: Base-Base interactions energy: -642.724 where: short stacking energy: -289.784 Base-Backbone interact. energy: 1.095 local terms energy: -371.110498 where: bonds (distance) C4'-P energy: -77.695 bonds (distance) P-C4' energy: -87.883 flat angles C4'-P-C4' energy: -89.512 flat angles P-C4'-P energy: -53.957 tors. eta vs tors. theta energy: -62.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -909.616186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.616186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.616186 (E_RNA) where: Base-Base interactions energy: -568.489 where: short stacking energy: -271.372 Base-Backbone interact. energy: 2.060 local terms energy: -343.187165 where: bonds (distance) C4'-P energy: -86.213 bonds (distance) P-C4' energy: -85.493 flat angles C4'-P-C4' energy: -77.243 flat angles P-C4'-P energy: -45.538 tors. eta vs tors. theta energy: -48.700 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: 1 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -835.294495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.294495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.294495 (E_RNA) where: Base-Base interactions energy: -524.702 where: short stacking energy: -250.820 Base-Backbone interact. energy: -1.752 local terms energy: -308.840317 where: bonds (distance) C4'-P energy: -81.497 bonds (distance) P-C4' energy: -71.546 flat angles C4'-P-C4' energy: -64.297 flat angles P-C4'-P energy: -56.403 tors. eta vs tors. theta energy: -35.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -542.042716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.042716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.042716 (E_RNA) where: Base-Base interactions energy: -250.147 where: short stacking energy: -136.846 Base-Backbone interact. energy: -0.032 local terms energy: -291.863894 where: bonds (distance) C4'-P energy: -74.957 bonds (distance) P-C4' energy: -105.417 flat angles C4'-P-C4' energy: -76.592 flat angles P-C4'-P energy: -28.557 tors. eta vs tors. theta energy: -6.340 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: 10, replica: 4 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -457.755234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.755234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.755234 (E_RNA) where: Base-Base interactions energy: -210.473 where: short stacking energy: -129.518 Base-Backbone interact. energy: -1.602 local terms energy: -245.679607 where: bonds (distance) C4'-P energy: -59.767 bonds (distance) P-C4' energy: -83.070 flat angles C4'-P-C4' energy: -82.136 flat angles P-C4'-P energy: -36.762 tors. eta vs tors. theta energy: 16.056 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: 9 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1539.490406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.490406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.490406 (E_RNA) where: Base-Base interactions energy: -1034.938 where: short stacking energy: -463.185 Base-Backbone interact. energy: -1.537 local terms energy: -503.015349 where: bonds (distance) C4'-P energy: -85.291 bonds (distance) P-C4' energy: -98.448 flat angles C4'-P-C4' energy: -104.316 flat angles P-C4'-P energy: -73.030 tors. eta vs tors. theta energy: -141.930 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: 5 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1453.800192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.800192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.800192 (E_RNA) where: Base-Base interactions energy: -969.652 where: short stacking energy: -455.768 Base-Backbone interact. energy: 1.623 local terms energy: -485.770756 where: bonds (distance) C4'-P energy: -86.161 bonds (distance) P-C4' energy: -92.701 flat angles C4'-P-C4' energy: -105.397 flat angles P-C4'-P energy: -70.840 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: 3, replica: 2 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1349.663890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.663890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.663890 (E_RNA) where: Base-Base interactions energy: -883.657 where: short stacking energy: -399.847 Base-Backbone interact. energy: -0.893 local terms energy: -465.113566 where: bonds (distance) C4'-P energy: -84.354 bonds (distance) P-C4' energy: -97.684 flat angles C4'-P-C4' energy: -92.373 flat angles P-C4'-P energy: -76.454 tors. eta vs tors. theta energy: -114.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1222.515778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.515778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.515778 (E_RNA) where: Base-Base interactions energy: -785.734 where: short stacking energy: -359.922 Base-Backbone interact. energy: 2.258 local terms energy: -439.039511 where: bonds (distance) C4'-P energy: -93.588 bonds (distance) P-C4' energy: -89.885 flat angles C4'-P-C4' energy: -88.224 flat angles P-C4'-P energy: -75.220 tors. eta vs tors. theta energy: -92.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -1128.740290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.740290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.740290 (E_RNA) where: Base-Base interactions energy: -716.809 where: short stacking energy: -339.067 Base-Backbone interact. energy: -1.817 local terms energy: -410.113979 where: bonds (distance) C4'-P energy: -83.247 bonds (distance) P-C4' energy: -86.179 flat angles C4'-P-C4' energy: -95.228 flat angles P-C4'-P energy: -59.733 tors. eta vs tors. theta energy: -85.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -994.997570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.997570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.997570 (E_RNA) where: Base-Base interactions energy: -621.280 where: short stacking energy: -289.715 Base-Backbone interact. energy: -1.356 local terms energy: -372.361925 where: bonds (distance) C4'-P energy: -84.837 bonds (distance) P-C4' energy: -88.787 flat angles C4'-P-C4' energy: -87.556 flat angles P-C4'-P energy: -48.553 tors. eta vs tors. theta energy: -62.629 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: 7, replica: 3 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -940.420579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.420579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.420579 (E_RNA) where: Base-Base interactions energy: -594.154 where: short stacking energy: -279.304 Base-Backbone interact. energy: -0.012 local terms energy: -346.255035 where: bonds (distance) C4'-P energy: -82.717 bonds (distance) P-C4' energy: -75.369 flat angles C4'-P-C4' energy: -80.228 flat angles P-C4'-P energy: -58.222 tors. eta vs tors. theta energy: -49.719 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: 8, replica: 1 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -834.867668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.867668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.867668 (E_RNA) where: Base-Base interactions energy: -492.467 where: short stacking energy: -230.261 Base-Backbone interact. energy: -1.760 local terms energy: -340.641055 where: bonds (distance) C4'-P energy: -83.561 bonds (distance) P-C4' energy: -88.675 flat angles C4'-P-C4' energy: -85.889 flat angles P-C4'-P energy: -53.812 tors. eta vs tors. theta energy: -28.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -561.810291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.810291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.810291 (E_RNA) where: Base-Base interactions energy: -270.568 where: short stacking energy: -174.529 Base-Backbone interact. energy: 5.727 local terms energy: -296.969862 where: bonds (distance) C4'-P energy: -74.657 bonds (distance) P-C4' energy: -94.639 flat angles C4'-P-C4' energy: -77.738 flat angles P-C4'-P energy: -44.888 tors. eta vs tors. theta energy: -5.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -503.662548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.662548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.662548 (E_RNA) where: Base-Base interactions energy: -258.399 where: short stacking energy: -142.877 Base-Backbone interact. energy: -2.010 local terms energy: -243.253860 where: bonds (distance) C4'-P energy: -60.232 bonds (distance) P-C4' energy: -82.998 flat angles C4'-P-C4' energy: -63.714 flat angles P-C4'-P energy: -37.615 tors. eta vs tors. theta energy: 1.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1539.776309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.776309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.776309 (E_RNA) where: Base-Base interactions energy: -1037.926 where: short stacking energy: -483.625 Base-Backbone interact. energy: -3.803 local terms energy: -498.047335 where: bonds (distance) C4'-P energy: -84.209 bonds (distance) P-C4' energy: -98.540 flat angles C4'-P-C4' energy: -101.351 flat angles P-C4'-P energy: -70.282 tors. eta vs tors. theta energy: -143.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1450.290873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.290873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.290873 (E_RNA) where: Base-Base interactions energy: -957.603 where: short stacking energy: -445.386 Base-Backbone interact. energy: -2.193 local terms energy: -490.494937 where: bonds (distance) C4'-P energy: -97.008 bonds (distance) P-C4' energy: -79.290 flat angles C4'-P-C4' energy: -112.171 flat angles P-C4'-P energy: -69.438 tors. eta vs tors. theta energy: -132.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -1355.286298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.286298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.286298 (E_RNA) where: Base-Base interactions energy: -905.147 where: short stacking energy: -400.641 Base-Backbone interact. energy: -1.213 local terms energy: -448.926346 where: bonds (distance) C4'-P energy: -78.453 bonds (distance) P-C4' energy: -95.361 flat angles C4'-P-C4' energy: -91.557 flat angles P-C4'-P energy: -64.564 tors. eta vs tors. theta energy: -118.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -1245.055350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.055350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.055350 (E_RNA) where: Base-Base interactions energy: -802.778 where: short stacking energy: -378.517 Base-Backbone interact. energy: 0.257 local terms energy: -442.534401 where: bonds (distance) C4'-P energy: -85.390 bonds (distance) P-C4' energy: -98.004 flat angles C4'-P-C4' energy: -92.270 flat angles P-C4'-P energy: -59.928 tors. eta vs tors. theta energy: -106.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -1080.529854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.529854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.529854 (E_RNA) where: Base-Base interactions energy: -656.625 where: short stacking energy: -285.123 Base-Backbone interact. energy: -3.951 local terms energy: -419.954248 where: bonds (distance) C4'-P energy: -90.499 bonds (distance) P-C4' energy: -108.807 flat angles C4'-P-C4' energy: -91.733 flat angles P-C4'-P energy: -62.332 tors. eta vs tors. theta energy: -66.583 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: 7 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1010.090224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.090224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.090224 (E_RNA) where: Base-Base interactions energy: -631.199 where: short stacking energy: -275.230 Base-Backbone interact. energy: 3.126 local terms energy: -382.016862 where: bonds (distance) C4'-P energy: -90.801 bonds (distance) P-C4' energy: -90.580 flat angles C4'-P-C4' energy: -91.338 flat angles P-C4'-P energy: -46.989 tors. eta vs tors. theta energy: -62.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -909.219877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.219877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.219877 (E_RNA) where: Base-Base interactions energy: -560.178 where: short stacking energy: -257.693 Base-Backbone interact. energy: -0.034 local terms energy: -349.007520 where: bonds (distance) C4'-P energy: -89.501 bonds (distance) P-C4' energy: -75.831 flat angles C4'-P-C4' energy: -89.240 flat angles P-C4'-P energy: -51.028 tors. eta vs tors. theta energy: -43.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -895.786452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.786452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.786452 (E_RNA) where: Base-Base interactions energy: -577.693 where: short stacking energy: -277.191 Base-Backbone interact. energy: 2.899 local terms energy: -320.992288 where: bonds (distance) C4'-P energy: -62.947 bonds (distance) P-C4' energy: -77.722 flat angles C4'-P-C4' energy: -78.621 flat angles P-C4'-P energy: -44.902 tors. eta vs tors. theta energy: -56.800 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: 416 Temperature: 1.300000 Total energy: -532.964230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.964230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.964230 (E_RNA) where: Base-Base interactions energy: -272.265 where: short stacking energy: -145.183 Base-Backbone interact. energy: -2.541 local terms energy: -258.157890 where: bonds (distance) C4'-P energy: -78.571 bonds (distance) P-C4' energy: -79.074 flat angles C4'-P-C4' energy: -60.748 flat angles P-C4'-P energy: -37.743 tors. eta vs tors. theta energy: -2.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -511.825333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.825333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.825333 (E_RNA) where: Base-Base interactions energy: -254.783 where: short stacking energy: -140.686 Base-Backbone interact. energy: 2.255 local terms energy: -259.297167 where: bonds (distance) C4'-P energy: -74.230 bonds (distance) P-C4' energy: -71.895 flat angles C4'-P-C4' energy: -82.764 flat angles P-C4'-P energy: -24.374 tors. eta vs tors. theta energy: -6.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1523.172710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.172710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.172710 (E_RNA) where: Base-Base interactions energy: -1010.726 where: short stacking energy: -439.430 Base-Backbone interact. energy: -0.882 local terms energy: -511.564463 where: bonds (distance) C4'-P energy: -95.656 bonds (distance) P-C4' energy: -102.529 flat angles C4'-P-C4' energy: -105.716 flat angles P-C4'-P energy: -84.515 tors. eta vs tors. theta energy: -123.148 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: 5 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1478.937436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.937436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.937436 (E_RNA) where: Base-Base interactions energy: -962.396 where: short stacking energy: -460.095 Base-Backbone interact. energy: -2.266 local terms energy: -514.275280 where: bonds (distance) C4'-P energy: -101.572 bonds (distance) P-C4' energy: -84.621 flat angles C4'-P-C4' energy: -106.216 flat angles P-C4'-P energy: -82.011 tors. eta vs tors. theta energy: -139.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1317.233907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.233907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.233907 (E_RNA) where: Base-Base interactions energy: -862.797 where: short stacking energy: -401.076 Base-Backbone interact. energy: 1.031 local terms energy: -455.467924 where: bonds (distance) C4'-P energy: -82.292 bonds (distance) P-C4' energy: -88.862 flat angles C4'-P-C4' energy: -99.301 flat angles P-C4'-P energy: -65.983 tors. eta vs tors. theta energy: -119.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1254.604126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.604126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.604126 (E_RNA) where: Base-Base interactions energy: -805.447 where: short stacking energy: -380.447 Base-Backbone interact. energy: -1.275 local terms energy: -447.882404 where: bonds (distance) C4'-P energy: -92.401 bonds (distance) P-C4' energy: -97.811 flat angles C4'-P-C4' energy: -95.341 flat angles P-C4'-P energy: -63.838 tors. eta vs tors. theta energy: -98.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -1068.981359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.981359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.981359 (E_RNA) where: Base-Base interactions energy: -684.051 where: short stacking energy: -336.704 Base-Backbone interact. energy: 1.647 local terms energy: -386.577297 where: bonds (distance) C4'-P energy: -71.734 bonds (distance) P-C4' energy: -88.603 flat angles C4'-P-C4' energy: -94.659 flat angles P-C4'-P energy: -46.189 tors. eta vs tors. theta energy: -85.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1023.072804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.072804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.072804 (E_RNA) where: Base-Base interactions energy: -646.867 where: short stacking energy: -293.738 Base-Backbone interact. energy: -0.498 local terms energy: -375.707573 where: bonds (distance) C4'-P energy: -78.901 bonds (distance) P-C4' energy: -90.035 flat angles C4'-P-C4' energy: -84.942 flat angles P-C4'-P energy: -51.282 tors. eta vs tors. theta energy: -70.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -904.066802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.066802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.066802 (E_RNA) where: Base-Base interactions energy: -541.865 where: short stacking energy: -246.041 Base-Backbone interact. energy: -2.610 local terms energy: -359.591773 where: bonds (distance) C4'-P energy: -93.298 bonds (distance) P-C4' energy: -77.982 flat angles C4'-P-C4' energy: -83.553 flat angles P-C4'-P energy: -61.509 tors. eta vs tors. theta energy: -43.249 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: 8, replica: 1 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -877.412504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.412504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.412504 (E_RNA) where: Base-Base interactions energy: -561.465 where: short stacking energy: -268.091 Base-Backbone interact. energy: -2.384 local terms energy: -313.563203 where: bonds (distance) C4'-P energy: -47.600 bonds (distance) P-C4' energy: -79.599 flat angles C4'-P-C4' energy: -81.678 flat angles P-C4'-P energy: -49.489 tors. eta vs tors. theta energy: -55.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -500.920928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.920928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.920928 (E_RNA) where: Base-Base interactions energy: -243.402 where: short stacking energy: -119.073 Base-Backbone interact. energy: -0.388 local terms energy: -257.130802 where: bonds (distance) C4'-P energy: -85.760 bonds (distance) P-C4' energy: -93.807 flat angles C4'-P-C4' energy: -69.982 flat angles P-C4'-P energy: -30.413 tors. eta vs tors. theta energy: 22.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -495.017648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.017648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.017648 (E_RNA) where: Base-Base interactions energy: -241.968 where: short stacking energy: -152.883 Base-Backbone interact. energy: 0.712 local terms energy: -253.761763 where: bonds (distance) C4'-P energy: -80.305 bonds (distance) P-C4' energy: -63.753 flat angles C4'-P-C4' energy: -60.482 flat angles P-C4'-P energy: -38.995 tors. eta vs tors. theta energy: -10.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1543.525012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.525012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.525012 (E_RNA) where: Base-Base interactions energy: -1036.030 where: short stacking energy: -466.675 Base-Backbone interact. energy: -1.696 local terms energy: -505.799121 where: bonds (distance) C4'-P energy: -90.124 bonds (distance) P-C4' energy: -104.438 flat angles C4'-P-C4' energy: -113.197 flat angles P-C4'-P energy: -65.252 tors. eta vs tors. theta energy: -132.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1454.166444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.166444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.166444 (E_RNA) where: Base-Base interactions energy: -925.457 where: short stacking energy: -432.109 Base-Backbone interact. energy: -3.746 local terms energy: -524.963240 where: bonds (distance) C4'-P energy: -103.263 bonds (distance) P-C4' energy: -98.594 flat angles C4'-P-C4' energy: -117.556 flat angles P-C4'-P energy: -68.545 tors. eta vs tors. theta energy: -137.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1269.878274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.878274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.878274 (E_RNA) where: Base-Base interactions energy: -805.546 where: short stacking energy: -400.603 Base-Backbone interact. energy: -2.862 local terms energy: -461.470773 where: bonds (distance) C4'-P energy: -99.556 bonds (distance) P-C4' energy: -90.802 flat angles C4'-P-C4' energy: -99.476 flat angles P-C4'-P energy: -62.967 tors. eta vs tors. theta energy: -108.670 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: 2 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1280.408140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.408140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.408140 (E_RNA) where: Base-Base interactions energy: -828.599 where: short stacking energy: -373.362 Base-Backbone interact. energy: -1.555 local terms energy: -450.254056 where: bonds (distance) C4'-P energy: -87.583 bonds (distance) P-C4' energy: -92.311 flat angles C4'-P-C4' energy: -96.683 flat angles P-C4'-P energy: -60.049 tors. eta vs tors. theta energy: -113.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -1136.176571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.176571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.176571 (E_RNA) where: Base-Base interactions energy: -730.084 where: short stacking energy: -339.975 Base-Backbone interact. energy: -1.693 local terms energy: -404.399780 where: bonds (distance) C4'-P energy: -84.932 bonds (distance) P-C4' energy: -86.238 flat angles C4'-P-C4' energy: -95.725 flat angles P-C4'-P energy: -55.696 tors. eta vs tors. theta energy: -81.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1022.775197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.775197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.775197 (E_RNA) where: Base-Base interactions energy: -643.363 where: short stacking energy: -302.098 Base-Backbone interact. energy: -0.948 local terms energy: -378.464010 where: bonds (distance) C4'-P energy: -79.757 bonds (distance) P-C4' energy: -91.294 flat angles C4'-P-C4' energy: -92.256 flat angles P-C4'-P energy: -55.843 tors. eta vs tors. theta energy: -59.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -910.658403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.658403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.658403 (E_RNA) where: Base-Base interactions energy: -549.403 where: short stacking energy: -251.402 Base-Backbone interact. energy: -2.231 local terms energy: -359.024763 where: bonds (distance) C4'-P energy: -82.111 bonds (distance) P-C4' energy: -83.326 flat angles C4'-P-C4' energy: -99.657 flat angles P-C4'-P energy: -46.323 tors. eta vs tors. theta energy: -47.608 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: 1 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -837.331619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.331619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.331619 (E_RNA) where: Base-Base interactions energy: -516.923 where: short stacking energy: -257.976 Base-Backbone interact. energy: 4.393 local terms energy: -324.801386 where: bonds (distance) C4'-P energy: -63.738 bonds (distance) P-C4' energy: -91.865 flat angles C4'-P-C4' energy: -80.117 flat angles P-C4'-P energy: -49.558 tors. eta vs tors. theta energy: -39.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -515.931021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.931021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.931021 (E_RNA) where: Base-Base interactions energy: -257.711 where: short stacking energy: -149.543 Base-Backbone interact. energy: -2.906 local terms energy: -255.314254 where: bonds (distance) C4'-P energy: -73.220 bonds (distance) P-C4' energy: -64.545 flat angles C4'-P-C4' energy: -72.426 flat angles P-C4'-P energy: -61.889 tors. eta vs tors. theta energy: 16.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -495.381272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.381272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.381272 (E_RNA) where: Base-Base interactions energy: -237.042 where: short stacking energy: -128.705 Base-Backbone interact. energy: 1.934 local terms energy: -260.272743 where: bonds (distance) C4'-P energy: -68.325 bonds (distance) P-C4' energy: -84.241 flat angles C4'-P-C4' energy: -78.445 flat angles P-C4'-P energy: -38.787 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: 9 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1538.980367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.980367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.980367 (E_RNA) where: Base-Base interactions energy: -1010.691 where: short stacking energy: -466.870 Base-Backbone interact. energy: -1.647 local terms energy: -526.641694 where: bonds (distance) C4'-P energy: -95.151 bonds (distance) P-C4' energy: -108.315 flat angles C4'-P-C4' energy: -110.172 flat angles P-C4'-P energy: -71.092 tors. eta vs tors. theta energy: -141.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1455.883062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.883062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.883062 (E_RNA) where: Base-Base interactions energy: -941.784 where: short stacking energy: -423.621 Base-Backbone interact. energy: -3.558 local terms energy: -510.540610 where: bonds (distance) C4'-P energy: -93.177 bonds (distance) P-C4' energy: -102.060 flat angles C4'-P-C4' energy: -110.837 flat angles P-C4'-P energy: -70.176 tors. eta vs tors. theta energy: -134.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1333.168463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.168463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.168463 (E_RNA) where: Base-Base interactions energy: -837.154 where: short stacking energy: -421.286 Base-Backbone interact. energy: -0.398 local terms energy: -495.616584 where: bonds (distance) C4'-P energy: -104.815 bonds (distance) P-C4' energy: -96.079 flat angles C4'-P-C4' energy: -93.953 flat angles P-C4'-P energy: -59.199 tors. eta vs tors. theta energy: -141.571 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: 419 Temperature: 1.050000 Total energy: -1274.280315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.280315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.280315 (E_RNA) where: Base-Base interactions energy: -828.232 where: short stacking energy: -358.314 Base-Backbone interact. energy: -1.252 local terms energy: -444.796461 where: bonds (distance) C4'-P energy: -91.326 bonds (distance) P-C4' energy: -84.195 flat angles C4'-P-C4' energy: -102.524 flat angles P-C4'-P energy: -59.448 tors. eta vs tors. theta energy: -107.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -1086.816801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.816801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.816801 (E_RNA) where: Base-Base interactions energy: -682.157 where: short stacking energy: -294.739 Base-Backbone interact. energy: 0.377 local terms energy: -405.037319 where: bonds (distance) C4'-P energy: -87.911 bonds (distance) P-C4' energy: -95.651 flat angles C4'-P-C4' energy: -88.907 flat angles P-C4'-P energy: -57.070 tors. eta vs tors. theta energy: -75.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1028.894453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.894453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.894453 (E_RNA) where: Base-Base interactions energy: -637.566 where: short stacking energy: -289.832 Base-Backbone interact. energy: -1.803 local terms energy: -389.525508 where: bonds (distance) C4'-P energy: -85.446 bonds (distance) P-C4' energy: -86.355 flat angles C4'-P-C4' energy: -92.950 flat angles P-C4'-P energy: -52.610 tors. eta vs tors. theta energy: -72.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -920.501392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.501392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.501392 (E_RNA) where: Base-Base interactions energy: -588.277 where: short stacking energy: -274.735 Base-Backbone interact. energy: -2.327 local terms energy: -329.897435 where: bonds (distance) C4'-P energy: -74.151 bonds (distance) P-C4' energy: -84.929 flat angles C4'-P-C4' energy: -74.199 flat angles P-C4'-P energy: -52.434 tors. eta vs tors. theta energy: -44.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -839.206348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.206348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.206348 (E_RNA) where: Base-Base interactions energy: -499.297 where: short stacking energy: -236.222 Base-Backbone interact. energy: 0.864 local terms energy: -340.773706 where: bonds (distance) C4'-P energy: -68.762 bonds (distance) P-C4' energy: -81.597 flat angles C4'-P-C4' energy: -88.860 flat angles P-C4'-P energy: -51.169 tors. eta vs tors. theta energy: -50.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -506.429065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.429065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.429065 (E_RNA) where: Base-Base interactions energy: -211.248 where: short stacking energy: -131.163 Base-Backbone interact. energy: 0.121 local terms energy: -295.302426 where: bonds (distance) C4'-P energy: -87.459 bonds (distance) P-C4' energy: -76.602 flat angles C4'-P-C4' energy: -73.987 flat angles P-C4'-P energy: -56.066 tors. eta vs tors. theta energy: -1.187 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: 4 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -526.762915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.762915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.762915 (E_RNA) where: Base-Base interactions energy: -274.102 where: short stacking energy: -147.160 Base-Backbone interact. energy: -2.821 local terms energy: -249.839663 where: bonds (distance) C4'-P energy: -67.657 bonds (distance) P-C4' energy: -92.767 flat angles C4'-P-C4' energy: -66.174 flat angles P-C4'-P energy: -33.950 tors. eta vs tors. theta energy: 10.708 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: 9 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1543.224038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.224038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.224038 (E_RNA) where: Base-Base interactions energy: -1044.825 where: short stacking energy: -472.075 Base-Backbone interact. energy: -3.689 local terms energy: -494.710109 where: bonds (distance) C4'-P energy: -89.015 bonds (distance) P-C4' energy: -91.303 flat angles C4'-P-C4' energy: -111.196 flat angles P-C4'-P energy: -74.780 tors. eta vs tors. theta energy: -128.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1482.069225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.069225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.069225 (E_RNA) where: Base-Base interactions energy: -998.334 where: short stacking energy: -484.582 Base-Backbone interact. energy: -0.801 local terms energy: -482.934276 where: bonds (distance) C4'-P energy: -80.318 bonds (distance) P-C4' energy: -88.873 flat angles C4'-P-C4' energy: -107.297 flat angles P-C4'-P energy: -61.034 tors. eta vs tors. theta energy: -145.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1319.710108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.710108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.710108 (E_RNA) where: Base-Base interactions energy: -865.846 where: short stacking energy: -378.923 Base-Backbone interact. energy: 1.447 local terms energy: -455.311012 where: bonds (distance) C4'-P energy: -92.280 bonds (distance) P-C4' energy: -85.243 flat angles C4'-P-C4' energy: -105.802 flat angles P-C4'-P energy: -61.664 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: 10 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1260.497839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.497839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.497839 (E_RNA) where: Base-Base interactions energy: -837.121 where: short stacking energy: -415.212 Base-Backbone interact. energy: -0.618 local terms energy: -422.759200 where: bonds (distance) C4'-P energy: -80.479 bonds (distance) P-C4' energy: -74.056 flat angles C4'-P-C4' energy: -87.449 flat angles P-C4'-P energy: -67.058 tors. eta vs tors. theta energy: -113.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -1116.533363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.533363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.533363 (E_RNA) where: Base-Base interactions energy: -728.686 where: short stacking energy: -337.836 Base-Backbone interact. energy: -1.767 local terms energy: -386.080343 where: bonds (distance) C4'-P energy: -70.460 bonds (distance) P-C4' energy: -103.569 flat angles C4'-P-C4' energy: -88.974 flat angles P-C4'-P energy: -54.363 tors. eta vs tors. theta energy: -68.715 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: 420 Temperature: 1.150000 Total energy: -1022.661018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.661018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.661018 (E_RNA) where: Base-Base interactions energy: -643.052 where: short stacking energy: -296.258 Base-Backbone interact. energy: -3.403 local terms energy: -376.205887 where: bonds (distance) C4'-P energy: -74.945 bonds (distance) P-C4' energy: -80.516 flat angles C4'-P-C4' energy: -98.738 flat angles P-C4'-P energy: -49.906 tors. eta vs tors. theta energy: -72.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -930.575187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.575187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.575187 (E_RNA) where: Base-Base interactions energy: -592.257 where: short stacking energy: -281.763 Base-Backbone interact. energy: -0.757 local terms energy: -337.560782 where: bonds (distance) C4'-P energy: -63.591 bonds (distance) P-C4' energy: -89.925 flat angles C4'-P-C4' energy: -74.167 flat angles P-C4'-P energy: -56.348 tors. eta vs tors. theta energy: -53.530 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: 8, replica: 3 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -878.369526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.369526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.369526 (E_RNA) where: Base-Base interactions energy: -546.476 where: short stacking energy: -237.563 Base-Backbone interact. energy: 0.533 local terms energy: -332.426623 where: bonds (distance) C4'-P energy: -65.067 bonds (distance) P-C4' energy: -84.007 flat angles C4'-P-C4' energy: -87.933 flat angles P-C4'-P energy: -57.559 tors. eta vs tors. theta energy: -37.861 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: 8 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -550.622786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.622786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.622786 (E_RNA) where: Base-Base interactions energy: -257.082 where: short stacking energy: -150.871 Base-Backbone interact. energy: -1.716 local terms energy: -291.824993 where: bonds (distance) C4'-P energy: -75.972 bonds (distance) P-C4' energy: -87.632 flat angles C4'-P-C4' energy: -69.344 flat angles P-C4'-P energy: -51.470 tors. eta vs tors. theta energy: -7.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -516.284369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.284369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.284369 (E_RNA) where: Base-Base interactions energy: -266.158 where: short stacking energy: -156.624 Base-Backbone interact. energy: -1.910 local terms energy: -248.216130 where: bonds (distance) C4'-P energy: -57.504 bonds (distance) P-C4' energy: -80.342 flat angles C4'-P-C4' energy: -77.874 flat angles P-C4'-P energy: -35.413 tors. eta vs tors. theta energy: 2.917 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: 9 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1552.407203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.407203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.407203 (E_RNA) where: Base-Base interactions energy: -1044.983 where: short stacking energy: -496.077 Base-Backbone interact. energy: -0.064 local terms energy: -507.360695 where: bonds (distance) C4'-P energy: -86.539 bonds (distance) P-C4' energy: -94.237 flat angles C4'-P-C4' energy: -106.811 flat angles P-C4'-P energy: -77.521 tors. eta vs tors. theta energy: -142.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1490.302298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.302298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.302298 (E_RNA) where: Base-Base interactions energy: -989.503 where: short stacking energy: -458.686 Base-Backbone interact. energy: -0.544 local terms energy: -500.254683 where: bonds (distance) C4'-P energy: -90.568 bonds (distance) P-C4' energy: -95.711 flat angles C4'-P-C4' energy: -104.042 flat angles P-C4'-P energy: -68.310 tors. eta vs tors. theta energy: -141.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1346.292925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.292925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.292925 (E_RNA) where: Base-Base interactions energy: -883.975 where: short stacking energy: -414.458 Base-Backbone interact. energy: -0.780 local terms energy: -461.538482 where: bonds (distance) C4'-P energy: -86.528 bonds (distance) P-C4' energy: -90.591 flat angles C4'-P-C4' energy: -89.314 flat angles P-C4'-P energy: -72.728 tors. eta vs tors. theta energy: -122.378 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: 10 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -1270.050753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.050753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.050753 (E_RNA) where: Base-Base interactions energy: -836.113 where: short stacking energy: -396.737 Base-Backbone interact. energy: -0.491 local terms energy: -433.446928 where: bonds (distance) C4'-P energy: -77.882 bonds (distance) P-C4' energy: -94.802 flat angles C4'-P-C4' energy: -99.648 flat angles P-C4'-P energy: -50.302 tors. eta vs tors. theta energy: -110.813 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: 7 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -1158.554634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.554634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.554634 (E_RNA) where: Base-Base interactions energy: -764.507 where: short stacking energy: -349.793 Base-Backbone interact. energy: -0.749 local terms energy: -393.298751 where: bonds (distance) C4'-P energy: -87.657 bonds (distance) P-C4' energy: -75.143 flat angles C4'-P-C4' energy: -86.214 flat angles P-C4'-P energy: -55.376 tors. eta vs tors. theta energy: -88.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -989.115085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.115085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.115085 (E_RNA) where: Base-Base interactions energy: -646.796 where: short stacking energy: -304.495 Base-Backbone interact. energy: 1.627 local terms energy: -343.946245 where: bonds (distance) C4'-P energy: -82.281 bonds (distance) P-C4' energy: -92.508 flat angles C4'-P-C4' energy: -77.380 flat angles P-C4'-P energy: -43.849 tors. eta vs tors. theta energy: -47.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -932.275318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.275318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.275318 (E_RNA) where: Base-Base interactions energy: -557.321 where: short stacking energy: -253.491 Base-Backbone interact. energy: -1.866 local terms energy: -373.087785 where: bonds (distance) C4'-P energy: -93.426 bonds (distance) P-C4' energy: -81.536 flat angles C4'-P-C4' energy: -90.315 flat angles P-C4'-P energy: -58.736 tors. eta vs tors. theta energy: -49.075 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: 3 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -847.116360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.116360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.116360 (E_RNA) where: Base-Base interactions energy: -518.050 where: short stacking energy: -231.107 Base-Backbone interact. energy: -1.777 local terms energy: -327.289250 where: bonds (distance) C4'-P energy: -89.039 bonds (distance) P-C4' energy: -93.199 flat angles C4'-P-C4' energy: -78.072 flat angles P-C4'-P energy: -50.028 tors. eta vs tors. theta energy: -16.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -529.416245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.416245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.416245 (E_RNA) where: Base-Base interactions energy: -261.783 where: short stacking energy: -156.058 Base-Backbone interact. energy: 0.017 local terms energy: -267.650062 where: bonds (distance) C4'-P energy: -80.617 bonds (distance) P-C4' energy: -76.773 flat angles C4'-P-C4' energy: -55.410 flat angles P-C4'-P energy: -52.499 tors. eta vs tors. theta energy: -2.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -522.332590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.332590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.332590 (E_RNA) where: Base-Base interactions energy: -262.066 where: short stacking energy: -168.074 Base-Backbone interact. energy: 4.317 local terms energy: -264.584102 where: bonds (distance) C4'-P energy: -70.888 bonds (distance) P-C4' energy: -75.762 flat angles C4'-P-C4' energy: -74.626 flat angles P-C4'-P energy: -33.375 tors. eta vs tors. theta energy: -9.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1536.253427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.253427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.253427 (E_RNA) where: Base-Base interactions energy: -999.882 where: short stacking energy: -468.609 Base-Backbone interact. energy: -1.010 local terms energy: -535.361518 where: bonds (distance) C4'-P energy: -102.201 bonds (distance) P-C4' energy: -104.352 flat angles C4'-P-C4' energy: -113.936 flat angles P-C4'-P energy: -70.261 tors. eta vs tors. theta energy: -144.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1461.942232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.942232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.942232 (E_RNA) where: Base-Base interactions energy: -969.212 where: short stacking energy: -469.531 Base-Backbone interact. energy: -1.396 local terms energy: -491.334036 where: bonds (distance) C4'-P energy: -98.152 bonds (distance) P-C4' energy: -92.523 flat angles C4'-P-C4' energy: -104.076 flat angles P-C4'-P energy: -68.970 tors. eta vs tors. theta energy: -127.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1364.203933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.203933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.203933 (E_RNA) where: Base-Base interactions energy: -878.207 where: short stacking energy: -414.277 Base-Backbone interact. energy: -1.556 local terms energy: -484.440347 where: bonds (distance) C4'-P energy: -87.486 bonds (distance) P-C4' energy: -98.754 flat angles C4'-P-C4' energy: -101.437 flat angles P-C4'-P energy: -70.203 tors. eta vs tors. theta energy: -126.561 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: 10 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -1289.089531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.089531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.089531 (E_RNA) where: Base-Base interactions energy: -849.910 where: short stacking energy: -397.372 Base-Backbone interact. energy: -2.758 local terms energy: -436.422096 where: bonds (distance) C4'-P energy: -73.052 bonds (distance) P-C4' energy: -90.692 flat angles C4'-P-C4' energy: -101.912 flat angles P-C4'-P energy: -58.554 tors. eta vs tors. theta energy: -112.213 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: 7 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1146.949921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.949921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.949921 (E_RNA) where: Base-Base interactions energy: -749.913 where: short stacking energy: -331.718 Base-Backbone interact. energy: -0.802 local terms energy: -396.233951 where: bonds (distance) C4'-P energy: -68.657 bonds (distance) P-C4' energy: -77.955 flat angles C4'-P-C4' energy: -98.927 flat angles P-C4'-P energy: -70.007 tors. eta vs tors. theta energy: -80.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1035.948108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.948108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.948108 (E_RNA) where: Base-Base interactions energy: -648.015 where: short stacking energy: -300.073 Base-Backbone interact. energy: 0.142 local terms energy: -388.075441 where: bonds (distance) C4'-P energy: -79.248 bonds (distance) P-C4' energy: -87.967 flat angles C4'-P-C4' energy: -88.086 flat angles P-C4'-P energy: -53.754 tors. eta vs tors. theta energy: -79.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -910.167973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.167973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.167973 (E_RNA) where: Base-Base interactions energy: -558.464 where: short stacking energy: -271.682 Base-Backbone interact. energy: -1.776 local terms energy: -349.927213 where: bonds (distance) C4'-P energy: -85.260 bonds (distance) P-C4' energy: -93.838 flat angles C4'-P-C4' energy: -72.480 flat angles P-C4'-P energy: -48.008 tors. eta vs tors. theta energy: -50.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -871.731045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.731045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.731045 (E_RNA) where: Base-Base interactions energy: -517.525 where: short stacking energy: -226.123 Base-Backbone interact. energy: -2.480 local terms energy: -351.725826 where: bonds (distance) C4'-P energy: -92.219 bonds (distance) P-C4' energy: -90.516 flat angles C4'-P-C4' energy: -85.432 flat angles P-C4'-P energy: -35.049 tors. eta vs tors. theta energy: -48.510 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: 422 Temperature: 1.300000 Total energy: -541.449955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.449955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.449955 (E_RNA) where: Base-Base interactions energy: -250.728 where: short stacking energy: -153.561 Base-Backbone interact. energy: 4.431 local terms energy: -295.152556 where: bonds (distance) C4'-P energy: -82.384 bonds (distance) P-C4' energy: -78.842 flat angles C4'-P-C4' energy: -69.546 flat angles P-C4'-P energy: -54.368 tors. eta vs tors. theta energy: -10.012 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: 8 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -509.250562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.250562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.250562 (E_RNA) where: Base-Base interactions energy: -253.571 where: short stacking energy: -133.774 Base-Backbone interact. energy: -0.214 local terms energy: -255.465564 where: bonds (distance) C4'-P energy: -74.456 bonds (distance) P-C4' energy: -88.677 flat angles C4'-P-C4' energy: -59.470 flat angles P-C4'-P energy: -40.980 tors. eta vs tors. theta energy: 8.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1542.552126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.552126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.552126 (E_RNA) where: Base-Base interactions energy: -1037.130 where: short stacking energy: -476.327 Base-Backbone interact. energy: -2.510 local terms energy: -502.911508 where: bonds (distance) C4'-P energy: -94.835 bonds (distance) P-C4' energy: -87.811 flat angles C4'-P-C4' energy: -106.618 flat angles P-C4'-P energy: -70.498 tors. eta vs tors. theta energy: -143.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1429.407606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.407606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.407606 (E_RNA) where: Base-Base interactions energy: -953.335 where: short stacking energy: -446.740 Base-Backbone interact. energy: 0.235 local terms energy: -476.306760 where: bonds (distance) C4'-P energy: -98.600 bonds (distance) P-C4' energy: -91.219 flat angles C4'-P-C4' energy: -95.682 flat angles P-C4'-P energy: -63.901 tors. eta vs tors. theta energy: -126.905 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: 2 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1371.819942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.819942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.819942 (E_RNA) where: Base-Base interactions energy: -901.458 where: short stacking energy: -414.861 Base-Backbone interact. energy: 0.824 local terms energy: -471.186324 where: bonds (distance) C4'-P energy: -97.489 bonds (distance) P-C4' energy: -93.976 flat angles C4'-P-C4' energy: -98.082 flat angles P-C4'-P energy: -56.441 tors. eta vs tors. theta energy: -125.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1290.098314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.098314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.098314 (E_RNA) where: Base-Base interactions energy: -815.844 where: short stacking energy: -396.734 Base-Backbone interact. energy: -2.399 local terms energy: -471.854669 where: bonds (distance) C4'-P energy: -95.318 bonds (distance) P-C4' energy: -99.542 flat angles C4'-P-C4' energy: -105.445 flat angles P-C4'-P energy: -68.637 tors. eta vs tors. theta energy: -102.913 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: 7 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1149.677658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.677658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.677658 (E_RNA) where: Base-Base interactions energy: -730.295 where: short stacking energy: -352.644 Base-Backbone interact. energy: -0.266 local terms energy: -419.117077 where: bonds (distance) C4'-P energy: -85.662 bonds (distance) P-C4' energy: -87.875 flat angles C4'-P-C4' energy: -105.222 flat angles P-C4'-P energy: -63.599 tors. eta vs tors. theta energy: -76.759 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: 423 Temperature: 1.150000 Total energy: -1012.070429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.070429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.070429 (E_RNA) where: Base-Base interactions energy: -652.807 where: short stacking energy: -303.146 Base-Backbone interact. energy: 1.094 local terms energy: -360.358041 where: bonds (distance) C4'-P energy: -82.359 bonds (distance) P-C4' energy: -88.244 flat angles C4'-P-C4' energy: -72.161 flat angles P-C4'-P energy: -45.874 tors. eta vs tors. theta energy: -71.720 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: 7, replica: 1 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -901.325945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.325945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.325945 (E_RNA) where: Base-Base interactions energy: -545.810 where: short stacking energy: -265.120 Base-Backbone interact. energy: -2.459 local terms energy: -353.057153 where: bonds (distance) C4'-P energy: -95.211 bonds (distance) P-C4' energy: -86.569 flat angles C4'-P-C4' energy: -85.821 flat angles P-C4'-P energy: -42.478 tors. eta vs tors. theta energy: -42.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -871.592156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.592156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.592156 (E_RNA) where: Base-Base interactions energy: -539.543 where: short stacking energy: -251.466 Base-Backbone interact. energy: 0.293 local terms energy: -332.342196 where: bonds (distance) C4'-P energy: -62.371 bonds (distance) P-C4' energy: -98.689 flat angles C4'-P-C4' energy: -80.473 flat angles P-C4'-P energy: -61.526 tors. eta vs tors. theta energy: -29.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -573.585382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.585382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.585382 (E_RNA) where: Base-Base interactions energy: -280.789 where: short stacking energy: -182.168 Base-Backbone interact. energy: 6.240 local terms energy: -299.036262 where: bonds (distance) C4'-P energy: -84.025 bonds (distance) P-C4' energy: -78.110 flat angles C4'-P-C4' energy: -79.473 flat angles P-C4'-P energy: -45.292 tors. eta vs tors. theta energy: -12.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -506.966313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.966313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.966313 (E_RNA) where: Base-Base interactions energy: -234.825 where: short stacking energy: -142.043 Base-Backbone interact. energy: 4.178 local terms energy: -276.319217 where: bonds (distance) C4'-P energy: -63.582 bonds (distance) P-C4' energy: -79.540 flat angles C4'-P-C4' energy: -74.740 flat angles P-C4'-P energy: -45.565 tors. eta vs tors. theta energy: -12.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1556.913863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.913863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.913863 (E_RNA) where: Base-Base interactions energy: -1032.510 where: short stacking energy: -473.849 Base-Backbone interact. energy: -0.279 local terms energy: -524.125469 where: bonds (distance) C4'-P energy: -72.996 bonds (distance) P-C4' energy: -111.128 flat angles C4'-P-C4' energy: -115.026 flat angles P-C4'-P energy: -77.583 tors. eta vs tors. theta energy: -147.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1461.919487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.919487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.919487 (E_RNA) where: Base-Base interactions energy: -956.296 where: short stacking energy: -459.653 Base-Backbone interact. energy: 0.311 local terms energy: -505.933675 where: bonds (distance) C4'-P energy: -77.534 bonds (distance) P-C4' energy: -104.940 flat angles C4'-P-C4' energy: -114.092 flat angles P-C4'-P energy: -67.280 tors. eta vs tors. theta energy: -142.088 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: 2 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -1317.186579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.186579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.186579 (E_RNA) where: Base-Base interactions energy: -868.243 where: short stacking energy: -388.178 Base-Backbone interact. energy: 1.318 local terms energy: -450.262122 where: bonds (distance) C4'-P energy: -89.036 bonds (distance) P-C4' energy: -82.662 flat angles C4'-P-C4' energy: -108.421 flat angles P-C4'-P energy: -53.204 tors. eta vs tors. theta energy: -116.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1250.612747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.612747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.612747 (E_RNA) where: Base-Base interactions energy: -818.060 where: short stacking energy: -384.515 Base-Backbone interact. energy: 3.368 local terms energy: -435.921322 where: bonds (distance) C4'-P energy: -81.274 bonds (distance) P-C4' energy: -85.530 flat angles C4'-P-C4' energy: -94.108 flat angles P-C4'-P energy: -66.893 tors. eta vs tors. theta energy: -108.116 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: 7 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -1128.420213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.420213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.420213 (E_RNA) where: Base-Base interactions energy: -705.566 where: short stacking energy: -334.097 Base-Backbone interact. energy: -0.838 local terms energy: -422.015756 where: bonds (distance) C4'-P energy: -76.645 bonds (distance) P-C4' energy: -83.744 flat angles C4'-P-C4' energy: -98.103 flat angles P-C4'-P energy: -69.426 tors. eta vs tors. theta energy: -94.098 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: 6, replica: 6 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1043.046954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.046954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.046954 (E_RNA) where: Base-Base interactions energy: -650.219 where: short stacking energy: -304.199 Base-Backbone interact. energy: -0.784 local terms energy: -392.043517 where: bonds (distance) C4'-P energy: -92.645 bonds (distance) P-C4' energy: -87.033 flat angles C4'-P-C4' energy: -95.041 flat angles P-C4'-P energy: -33.770 tors. eta vs tors. theta energy: -83.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -911.157826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.157826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.157826 (E_RNA) where: Base-Base interactions energy: -555.798 where: short stacking energy: -269.922 Base-Backbone interact. energy: -2.029 local terms energy: -353.331086 where: bonds (distance) C4'-P energy: -76.324 bonds (distance) P-C4' energy: -89.509 flat angles C4'-P-C4' energy: -78.968 flat angles P-C4'-P energy: -51.052 tors. eta vs tors. theta energy: -57.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -841.545484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.545484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.545484 (E_RNA) where: Base-Base interactions energy: -523.863 where: short stacking energy: -232.137 Base-Backbone interact. energy: 4.845 local terms energy: -322.527944 where: bonds (distance) C4'-P energy: -70.831 bonds (distance) P-C4' energy: -75.157 flat angles C4'-P-C4' energy: -82.518 flat angles P-C4'-P energy: -46.928 tors. eta vs tors. theta energy: -47.094 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: 9, replica: 4 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -577.919752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.919752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.919752 (E_RNA) where: Base-Base interactions energy: -318.414 where: short stacking energy: -173.936 Base-Backbone interact. energy: -3.722 local terms energy: -255.783866 where: bonds (distance) C4'-P energy: -75.309 bonds (distance) P-C4' energy: -67.658 flat angles C4'-P-C4' energy: -60.419 flat angles P-C4'-P energy: -49.340 tors. eta vs tors. theta energy: -3.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -529.126746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.126746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.126746 (E_RNA) where: Base-Base interactions energy: -247.062 where: short stacking energy: -149.317 Base-Backbone interact. energy: 3.447 local terms energy: -285.511915 where: bonds (distance) C4'-P energy: -74.177 bonds (distance) P-C4' energy: -87.072 flat angles C4'-P-C4' energy: -79.221 flat angles P-C4'-P energy: -49.701 tors. eta vs tors. theta energy: 4.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1542.662626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.662626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.662626 (E_RNA) where: Base-Base interactions energy: -1024.404 where: short stacking energy: -466.848 Base-Backbone interact. energy: -0.530 local terms energy: -517.728911 where: bonds (distance) C4'-P energy: -99.038 bonds (distance) P-C4' energy: -103.792 flat angles C4'-P-C4' energy: -112.951 flat angles P-C4'-P energy: -64.263 tors. eta vs tors. theta energy: -137.685 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: 5 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1436.996338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.996338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.996338 (E_RNA) where: Base-Base interactions energy: -954.014 where: short stacking energy: -420.930 Base-Backbone interact. energy: -1.984 local terms energy: -480.998177 where: bonds (distance) C4'-P energy: -94.008 bonds (distance) P-C4' energy: -97.433 flat angles C4'-P-C4' energy: -98.763 flat angles P-C4'-P energy: -63.814 tors. eta vs tors. theta energy: -126.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1365.064290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.064290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.064290 (E_RNA) where: Base-Base interactions energy: -893.608 where: short stacking energy: -410.260 Base-Backbone interact. energy: -1.767 local terms energy: -469.689467 where: bonds (distance) C4'-P energy: -86.564 bonds (distance) P-C4' energy: -105.162 flat angles C4'-P-C4' energy: -91.965 flat angles P-C4'-P energy: -61.685 tors. eta vs tors. theta energy: -124.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1267.265369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.265369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.265369 (E_RNA) where: Base-Base interactions energy: -840.184 where: short stacking energy: -392.677 Base-Backbone interact. energy: 1.908 local terms energy: -428.989872 where: bonds (distance) C4'-P energy: -86.544 bonds (distance) P-C4' energy: -88.856 flat angles C4'-P-C4' energy: -97.661 flat angles P-C4'-P energy: -56.441 tors. eta vs tors. theta energy: -99.488 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: 5, replica: 7 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1125.080416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.080416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.080416 (E_RNA) where: Base-Base interactions energy: -714.270 where: short stacking energy: -321.343 Base-Backbone interact. energy: 9.816 local terms energy: -420.626432 where: bonds (distance) C4'-P energy: -91.263 bonds (distance) P-C4' energy: -91.064 flat angles C4'-P-C4' energy: -94.402 flat angles P-C4'-P energy: -65.937 tors. eta vs tors. theta energy: -77.960 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: 6 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1048.846632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.846632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.846632 (E_RNA) where: Base-Base interactions energy: -652.154 where: short stacking energy: -321.111 Base-Backbone interact. energy: -0.469 local terms energy: -396.223703 where: bonds (distance) C4'-P energy: -79.678 bonds (distance) P-C4' energy: -86.205 flat angles C4'-P-C4' energy: -96.432 flat angles P-C4'-P energy: -63.532 tors. eta vs tors. theta energy: -70.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -944.051982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.051982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.051982 (E_RNA) where: Base-Base interactions energy: -612.063 where: short stacking energy: -268.408 Base-Backbone interact. energy: -1.705 local terms energy: -330.284387 where: bonds (distance) C4'-P energy: -66.016 bonds (distance) P-C4' energy: -90.215 flat angles C4'-P-C4' energy: -78.484 flat angles P-C4'-P energy: -49.832 tors. eta vs tors. theta energy: -45.738 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: 8, replica: 3 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -872.954345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.954345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.954345 (E_RNA) where: Base-Base interactions energy: -543.646 where: short stacking energy: -249.998 Base-Backbone interact. energy: 3.242 local terms energy: -332.550604 where: bonds (distance) C4'-P energy: -81.439 bonds (distance) P-C4' energy: -81.956 flat angles C4'-P-C4' energy: -74.123 flat angles P-C4'-P energy: -45.811 tors. eta vs tors. theta energy: -49.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -546.731537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.731537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.731537 (E_RNA) where: Base-Base interactions energy: -252.223 where: short stacking energy: -152.834 Base-Backbone interact. energy: -0.060 local terms energy: -294.448509 where: bonds (distance) C4'-P energy: -76.606 bonds (distance) P-C4' energy: -85.147 flat angles C4'-P-C4' energy: -62.711 flat angles P-C4'-P energy: -47.058 tors. eta vs tors. theta energy: -22.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -530.698443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.698443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.698443 (E_RNA) where: Base-Base interactions energy: -257.503 where: short stacking energy: -121.492 Base-Backbone interact. energy: -3.013 local terms energy: -270.182107 where: bonds (distance) C4'-P energy: -65.100 bonds (distance) P-C4' energy: -96.429 flat angles C4'-P-C4' energy: -67.164 flat angles P-C4'-P energy: -52.276 tors. eta vs tors. theta energy: 10.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1532.491828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.491828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.491828 (E_RNA) where: Base-Base interactions energy: -1042.499 where: short stacking energy: -492.621 Base-Backbone interact. energy: -2.585 local terms energy: -487.407674 where: bonds (distance) C4'-P energy: -77.649 bonds (distance) P-C4' energy: -94.432 flat angles C4'-P-C4' energy: -107.945 flat angles P-C4'-P energy: -81.231 tors. eta vs tors. theta energy: -126.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1421.589505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.589505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.589505 (E_RNA) where: Base-Base interactions energy: -947.142 where: short stacking energy: -440.809 Base-Backbone interact. energy: -1.906 local terms energy: -472.542222 where: bonds (distance) C4'-P energy: -79.481 bonds (distance) P-C4' energy: -87.422 flat angles C4'-P-C4' energy: -107.520 flat angles P-C4'-P energy: -72.789 tors. eta vs tors. theta energy: -125.331 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: 426 Temperature: 1.000000 Total energy: -1348.642479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.642479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.642479 (E_RNA) where: Base-Base interactions energy: -880.813 where: short stacking energy: -403.491 Base-Backbone interact. energy: -3.601 local terms energy: -464.228209 where: bonds (distance) C4'-P energy: -83.892 bonds (distance) P-C4' energy: -96.946 flat angles C4'-P-C4' energy: -103.383 flat angles P-C4'-P energy: -64.440 tors. eta vs tors. theta energy: -115.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1289.736810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.736810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.736810 (E_RNA) where: Base-Base interactions energy: -830.089 where: short stacking energy: -396.446 Base-Backbone interact. energy: -2.335 local terms energy: -457.313053 where: bonds (distance) C4'-P energy: -81.554 bonds (distance) P-C4' energy: -101.115 flat angles C4'-P-C4' energy: -104.687 flat angles P-C4'-P energy: -70.320 tors. eta vs tors. theta energy: -99.637 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: 5, replica: 7 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1139.643316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.643316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.643316 (E_RNA) where: Base-Base interactions energy: -715.023 where: short stacking energy: -340.937 Base-Backbone interact. energy: -0.830 local terms energy: -423.790013 where: bonds (distance) C4'-P energy: -84.178 bonds (distance) P-C4' energy: -102.507 flat angles C4'-P-C4' energy: -93.142 flat angles P-C4'-P energy: -57.640 tors. eta vs tors. theta energy: -86.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1023.563653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.563653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.563653 (E_RNA) where: Base-Base interactions energy: -648.280 where: short stacking energy: -292.453 Base-Backbone interact. energy: -3.020 local terms energy: -372.263397 where: bonds (distance) C4'-P energy: -82.002 bonds (distance) P-C4' energy: -91.987 flat angles C4'-P-C4' energy: -79.501 flat angles P-C4'-P energy: -50.950 tors. eta vs tors. theta energy: -67.822 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: 1 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -898.334814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.334814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.334814 (E_RNA) where: Base-Base interactions energy: -559.393 where: short stacking energy: -282.913 Base-Backbone interact. energy: 3.155 local terms energy: -342.096477 where: bonds (distance) C4'-P energy: -74.328 bonds (distance) P-C4' energy: -76.610 flat angles C4'-P-C4' energy: -93.174 flat angles P-C4'-P energy: -43.261 tors. eta vs tors. theta energy: -54.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -872.052220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.052220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.052220 (E_RNA) where: Base-Base interactions energy: -535.559 where: short stacking energy: -246.655 Base-Backbone interact. energy: 0.930 local terms energy: -337.422770 where: bonds (distance) C4'-P energy: -84.067 bonds (distance) P-C4' energy: -68.654 flat angles C4'-P-C4' energy: -95.735 flat angles P-C4'-P energy: -55.932 tors. eta vs tors. theta energy: -33.035 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: 9, replica: 4 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -553.710750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.710750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.710750 (E_RNA) where: Base-Base interactions energy: -255.645 where: short stacking energy: -154.041 Base-Backbone interact. energy: -1.718 local terms energy: -296.347526 where: bonds (distance) C4'-P energy: -87.098 bonds (distance) P-C4' energy: -86.268 flat angles C4'-P-C4' energy: -80.626 flat angles P-C4'-P energy: -38.448 tors. eta vs tors. theta energy: -3.908 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: 8 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -491.441619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.441619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.441619 (E_RNA) where: Base-Base interactions energy: -212.890 where: short stacking energy: -118.563 Base-Backbone interact. energy: -0.614 local terms energy: -277.937004 where: bonds (distance) C4'-P energy: -86.417 bonds (distance) P-C4' energy: -63.849 flat angles C4'-P-C4' energy: -65.178 flat angles P-C4'-P energy: -55.680 tors. eta vs tors. theta energy: -6.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1531.036597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.036597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.036597 (E_RNA) where: Base-Base interactions energy: -1038.090 where: short stacking energy: -481.865 Base-Backbone interact. energy: 1.813 local terms energy: -494.758981 where: bonds (distance) C4'-P energy: -99.279 bonds (distance) P-C4' energy: -91.981 flat angles C4'-P-C4' energy: -103.777 flat angles P-C4'-P energy: -68.669 tors. eta vs tors. theta energy: -131.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1426.188993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.188993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.188993 (E_RNA) where: Base-Base interactions energy: -948.980 where: short stacking energy: -426.956 Base-Backbone interact. energy: 0.864 local terms energy: -478.072602 where: bonds (distance) C4'-P energy: -91.654 bonds (distance) P-C4' energy: -93.491 flat angles C4'-P-C4' energy: -114.135 flat angles P-C4'-P energy: -58.333 tors. eta vs tors. theta energy: -120.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1327.237776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.237776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.237776 (E_RNA) where: Base-Base interactions energy: -875.229 where: short stacking energy: -418.174 Base-Backbone interact. energy: 4.005 local terms energy: -456.013314 where: bonds (distance) C4'-P energy: -82.938 bonds (distance) P-C4' energy: -76.278 flat angles C4'-P-C4' energy: -96.313 flat angles P-C4'-P energy: -73.777 tors. eta vs tors. theta energy: -126.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1275.527072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.527072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.527072 (E_RNA) where: Base-Base interactions energy: -843.987 where: short stacking energy: -384.635 Base-Backbone interact. energy: 2.736 local terms energy: -434.275439 where: bonds (distance) C4'-P energy: -79.081 bonds (distance) P-C4' energy: -99.272 flat angles C4'-P-C4' energy: -92.416 flat angles P-C4'-P energy: -63.300 tors. eta vs tors. theta energy: -100.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -1104.414671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.414671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.414671 (E_RNA) where: Base-Base interactions energy: -713.725 where: short stacking energy: -308.031 Base-Backbone interact. energy: 2.993 local terms energy: -393.682504 where: bonds (distance) C4'-P energy: -88.499 bonds (distance) P-C4' energy: -84.121 flat angles C4'-P-C4' energy: -98.295 flat angles P-C4'-P energy: -54.966 tors. eta vs tors. theta energy: -67.802 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: 427 Temperature: 1.150000 Total energy: -1054.589987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.589987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.589987 (E_RNA) where: Base-Base interactions energy: -653.903 where: short stacking energy: -309.001 Base-Backbone interact. energy: 2.027 local terms energy: -402.714495 where: bonds (distance) C4'-P energy: -93.928 bonds (distance) P-C4' energy: -78.041 flat angles C4'-P-C4' energy: -92.696 flat angles P-C4'-P energy: -58.232 tors. eta vs tors. theta energy: -79.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -918.493575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.493575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.493575 (E_RNA) where: Base-Base interactions energy: -577.409 where: short stacking energy: -265.831 Base-Backbone interact. energy: -0.473 local terms energy: -340.611053 where: bonds (distance) C4'-P energy: -71.531 bonds (distance) P-C4' energy: -83.964 flat angles C4'-P-C4' energy: -86.581 flat angles P-C4'-P energy: -49.746 tors. eta vs tors. theta energy: -48.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -823.664499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.664499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.664499 (E_RNA) where: Base-Base interactions energy: -505.213 where: short stacking energy: -228.293 Base-Backbone interact. energy: 2.783 local terms energy: -321.235338 where: bonds (distance) C4'-P energy: -85.177 bonds (distance) P-C4' energy: -86.329 flat angles C4'-P-C4' energy: -68.631 flat angles P-C4'-P energy: -46.328 tors. eta vs tors. theta energy: -34.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -566.526204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.526204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.526204 (E_RNA) where: Base-Base interactions energy: -273.785 where: short stacking energy: -144.099 Base-Backbone interact. energy: -2.330 local terms energy: -290.410424 where: bonds (distance) C4'-P energy: -80.226 bonds (distance) P-C4' energy: -78.303 flat angles C4'-P-C4' energy: -76.925 flat angles P-C4'-P energy: -48.685 tors. eta vs tors. theta energy: -6.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -531.276482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.276482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.276482 (E_RNA) where: Base-Base interactions energy: -254.062 where: short stacking energy: -138.762 Base-Backbone interact. energy: -1.943 local terms energy: -275.271302 where: bonds (distance) C4'-P energy: -74.010 bonds (distance) P-C4' energy: -86.913 flat angles C4'-P-C4' energy: -74.046 flat angles P-C4'-P energy: -38.635 tors. eta vs tors. theta energy: -1.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1527.595814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.595814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.595814 (E_RNA) where: Base-Base interactions energy: -1035.780 where: short stacking energy: -498.263 Base-Backbone interact. energy: -0.815 local terms energy: -491.000632 where: bonds (distance) C4'-P energy: -89.212 bonds (distance) P-C4' energy: -92.865 flat angles C4'-P-C4' energy: -110.449 flat angles P-C4'-P energy: -66.530 tors. eta vs tors. theta energy: -131.945 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: 5 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1409.665543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.665543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.665543 (E_RNA) where: Base-Base interactions energy: -939.550 where: short stacking energy: -443.493 Base-Backbone interact. energy: -3.025 local terms energy: -467.090319 where: bonds (distance) C4'-P energy: -94.015 bonds (distance) P-C4' energy: -85.020 flat angles C4'-P-C4' energy: -99.861 flat angles P-C4'-P energy: -71.833 tors. eta vs tors. theta energy: -116.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1364.941610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.941610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.941610 (E_RNA) where: Base-Base interactions energy: -916.967 where: short stacking energy: -417.329 Base-Backbone interact. energy: -3.296 local terms energy: -444.678894 where: bonds (distance) C4'-P energy: -81.103 bonds (distance) P-C4' energy: -78.926 flat angles C4'-P-C4' energy: -92.764 flat angles P-C4'-P energy: -66.196 tors. eta vs tors. theta energy: -125.691 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: 10 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -1300.932022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.932022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.932022 (E_RNA) where: Base-Base interactions energy: -860.627 where: short stacking energy: -408.058 Base-Backbone interact. energy: -1.755 local terms energy: -438.550264 where: bonds (distance) C4'-P energy: -89.120 bonds (distance) P-C4' energy: -72.345 flat angles C4'-P-C4' energy: -95.192 flat angles P-C4'-P energy: -70.673 tors. eta vs tors. theta energy: -111.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1133.411732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.411732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.411732 (E_RNA) where: Base-Base interactions energy: -729.054 where: short stacking energy: -337.762 Base-Backbone interact. energy: 0.913 local terms energy: -405.271303 where: bonds (distance) C4'-P energy: -81.423 bonds (distance) P-C4' energy: -67.991 flat angles C4'-P-C4' energy: -105.201 flat angles P-C4'-P energy: -72.542 tors. eta vs tors. theta energy: -78.114 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: 6 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1005.808398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.808398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.808398 (E_RNA) where: Base-Base interactions energy: -621.634 where: short stacking energy: -276.259 Base-Backbone interact. energy: 0.706 local terms energy: -384.880560 where: bonds (distance) C4'-P energy: -91.919 bonds (distance) P-C4' energy: -90.400 flat angles C4'-P-C4' energy: -81.669 flat angles P-C4'-P energy: -66.004 tors. eta vs tors. theta energy: -54.888 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: 428 Temperature: 1.200000 Total energy: -883.302211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.302211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.302211 (E_RNA) where: Base-Base interactions energy: -549.289 where: short stacking energy: -258.753 Base-Backbone interact. energy: -0.035 local terms energy: -333.978116 where: bonds (distance) C4'-P energy: -72.815 bonds (distance) P-C4' energy: -86.033 flat angles C4'-P-C4' energy: -78.239 flat angles P-C4'-P energy: -51.771 tors. eta vs tors. theta energy: -45.121 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: 3 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -842.244946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.244946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.244946 (E_RNA) where: Base-Base interactions energy: -506.990 where: short stacking energy: -236.104 Base-Backbone interact. energy: -0.110 local terms energy: -335.144522 where: bonds (distance) C4'-P energy: -68.664 bonds (distance) P-C4' energy: -100.918 flat angles C4'-P-C4' energy: -84.384 flat angles P-C4'-P energy: -50.941 tors. eta vs tors. theta energy: -30.236 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: 4 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -536.486975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.486975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.486975 (E_RNA) where: Base-Base interactions energy: -263.581 where: short stacking energy: -154.509 Base-Backbone interact. energy: -1.761 local terms energy: -271.144502 where: bonds (distance) C4'-P energy: -80.910 bonds (distance) P-C4' energy: -100.024 flat angles C4'-P-C4' energy: -58.964 flat angles P-C4'-P energy: -33.573 tors. eta vs tors. theta energy: 2.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -513.774222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.774222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.774222 (E_RNA) where: Base-Base interactions energy: -246.011 where: short stacking energy: -146.431 Base-Backbone interact. energy: -2.504 local terms energy: -265.259509 where: bonds (distance) C4'-P energy: -57.858 bonds (distance) P-C4' energy: -100.241 flat angles C4'-P-C4' energy: -68.424 flat angles P-C4'-P energy: -37.277 tors. eta vs tors. theta energy: -1.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1518.287517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.287517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.287517 (E_RNA) where: Base-Base interactions energy: -1026.882 where: short stacking energy: -467.754 Base-Backbone interact. energy: -2.218 local terms energy: -489.187870 where: bonds (distance) C4'-P energy: -99.028 bonds (distance) P-C4' energy: -90.902 flat angles C4'-P-C4' energy: -110.706 flat angles P-C4'-P energy: -56.824 tors. eta vs tors. theta energy: -131.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1399.707767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.707767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.707767 (E_RNA) where: Base-Base interactions energy: -927.544 where: short stacking energy: -427.885 Base-Backbone interact. energy: -2.826 local terms energy: -469.337963 where: bonds (distance) C4'-P energy: -93.208 bonds (distance) P-C4' energy: -85.371 flat angles C4'-P-C4' energy: -101.052 flat angles P-C4'-P energy: -71.606 tors. eta vs tors. theta energy: -118.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1317.193385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.193385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.193385 (E_RNA) where: Base-Base interactions energy: -867.625 where: short stacking energy: -382.940 Base-Backbone interact. energy: -1.032 local terms energy: -448.535820 where: bonds (distance) C4'-P energy: -84.772 bonds (distance) P-C4' energy: -99.924 flat angles C4'-P-C4' energy: -96.718 flat angles P-C4'-P energy: -57.107 tors. eta vs tors. theta energy: -110.015 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: 10 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -1235.036996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.036996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.036996 (E_RNA) where: Base-Base interactions energy: -782.428 where: short stacking energy: -372.237 Base-Backbone interact. energy: 0.644 local terms energy: -453.253179 where: bonds (distance) C4'-P energy: -96.312 bonds (distance) P-C4' energy: -91.667 flat angles C4'-P-C4' energy: -103.528 flat angles P-C4'-P energy: -56.406 tors. eta vs tors. theta energy: -105.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -1111.981352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.981352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.981352 (E_RNA) where: Base-Base interactions energy: -732.158 where: short stacking energy: -315.310 Base-Backbone interact. energy: -0.075 local terms energy: -379.747552 where: bonds (distance) C4'-P energy: -86.414 bonds (distance) P-C4' energy: -86.777 flat angles C4'-P-C4' energy: -99.774 flat angles P-C4'-P energy: -49.012 tors. eta vs tors. theta energy: -57.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1018.028859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.028859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.028859 (E_RNA) where: Base-Base interactions energy: -614.201 where: short stacking energy: -290.846 Base-Backbone interact. energy: -0.521 local terms energy: -403.307573 where: bonds (distance) C4'-P energy: -91.092 bonds (distance) P-C4' energy: -87.251 flat angles C4'-P-C4' energy: -100.641 flat angles P-C4'-P energy: -50.536 tors. eta vs tors. theta energy: -73.787 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: 1 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -880.821778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.821778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.821778 (E_RNA) where: Base-Base interactions energy: -536.939 where: short stacking energy: -233.341 Base-Backbone interact. energy: 0.734 local terms energy: -344.616766 where: bonds (distance) C4'-P energy: -82.127 bonds (distance) P-C4' energy: -97.377 flat angles C4'-P-C4' energy: -86.139 flat angles P-C4'-P energy: -38.907 tors. eta vs tors. theta energy: -40.068 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: 3 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -827.911737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.911737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.911737 (E_RNA) where: Base-Base interactions energy: -520.761 where: short stacking energy: -239.345 Base-Backbone interact. energy: 3.394 local terms energy: -310.545501 where: bonds (distance) C4'-P energy: -77.970 bonds (distance) P-C4' energy: -75.293 flat angles C4'-P-C4' energy: -79.644 flat angles P-C4'-P energy: -45.278 tors. eta vs tors. theta energy: -32.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -546.648565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.648565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.648565 (E_RNA) where: Base-Base interactions energy: -259.007 where: short stacking energy: -168.274 Base-Backbone interact. energy: -0.425 local terms energy: -287.216485 where: bonds (distance) C4'-P energy: -81.622 bonds (distance) P-C4' energy: -77.942 flat angles C4'-P-C4' energy: -81.764 flat angles P-C4'-P energy: -40.668 tors. eta vs tors. theta energy: -5.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -529.823259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.823259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.823259 (E_RNA) where: Base-Base interactions energy: -258.798 where: short stacking energy: -152.626 Base-Backbone interact. energy: 1.693 local terms energy: -272.718423 where: bonds (distance) C4'-P energy: -72.760 bonds (distance) P-C4' energy: -75.918 flat angles C4'-P-C4' energy: -97.504 flat angles P-C4'-P energy: -22.255 tors. eta vs tors. theta energy: -4.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1503.317819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.317819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.317819 (E_RNA) where: Base-Base interactions energy: -1011.617 where: short stacking energy: -452.911 Base-Backbone interact. energy: 3.264 local terms energy: -494.964383 where: bonds (distance) C4'-P energy: -93.922 bonds (distance) P-C4' energy: -98.875 flat angles C4'-P-C4' energy: -99.108 flat angles P-C4'-P energy: -73.774 tors. eta vs tors. theta energy: -129.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1396.471484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.471484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.471484 (E_RNA) where: Base-Base interactions energy: -917.523 where: short stacking energy: -435.195 Base-Backbone interact. energy: -1.905 local terms energy: -477.044028 where: bonds (distance) C4'-P energy: -88.033 bonds (distance) P-C4' energy: -82.940 flat angles C4'-P-C4' energy: -107.428 flat angles P-C4'-P energy: -71.273 tors. eta vs tors. theta energy: -127.370 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: 2 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -1337.260901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.260901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.260901 (E_RNA) where: Base-Base interactions energy: -884.522 where: short stacking energy: -380.706 Base-Backbone interact. energy: -0.649 local terms energy: -452.090155 where: bonds (distance) C4'-P energy: -92.464 bonds (distance) P-C4' energy: -92.951 flat angles C4'-P-C4' energy: -95.606 flat angles P-C4'-P energy: -62.563 tors. eta vs tors. theta energy: -108.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1253.919163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.919163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.919163 (E_RNA) where: Base-Base interactions energy: -822.800 where: short stacking energy: -390.587 Base-Backbone interact. energy: 2.446 local terms energy: -433.564477 where: bonds (distance) C4'-P energy: -80.088 bonds (distance) P-C4' energy: -90.423 flat angles C4'-P-C4' energy: -95.873 flat angles P-C4'-P energy: -61.128 tors. eta vs tors. theta energy: -106.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -1138.348719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.348719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.348719 (E_RNA) where: Base-Base interactions energy: -728.223 where: short stacking energy: -323.771 Base-Backbone interact. energy: 1.703 local terms energy: -411.828180 where: bonds (distance) C4'-P energy: -89.235 bonds (distance) P-C4' energy: -88.501 flat angles C4'-P-C4' energy: -94.825 flat angles P-C4'-P energy: -65.566 tors. eta vs tors. theta energy: -73.702 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: 6 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1034.746656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.746656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.746656 (E_RNA) where: Base-Base interactions energy: -641.439 where: short stacking energy: -312.327 Base-Backbone interact. energy: -0.869 local terms energy: -392.438560 where: bonds (distance) C4'-P energy: -72.645 bonds (distance) P-C4' energy: -79.632 flat angles C4'-P-C4' energy: -99.486 flat angles P-C4'-P energy: -60.487 tors. eta vs tors. theta energy: -80.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -886.245258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.245258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.245258 (E_RNA) where: Base-Base interactions energy: -543.895 where: short stacking energy: -267.179 Base-Backbone interact. energy: -0.527 local terms energy: -341.823102 where: bonds (distance) C4'-P energy: -83.208 bonds (distance) P-C4' energy: -61.655 flat angles C4'-P-C4' energy: -90.954 flat angles P-C4'-P energy: -54.905 tors. eta vs tors. theta energy: -51.101 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: 1 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -914.451439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.451439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.451439 (E_RNA) where: Base-Base interactions energy: -558.846 where: short stacking energy: -260.870 Base-Backbone interact. energy: 0.294 local terms energy: -355.899367 where: bonds (distance) C4'-P energy: -87.168 bonds (distance) P-C4' energy: -93.106 flat angles C4'-P-C4' energy: -73.750 flat angles P-C4'-P energy: -55.159 tors. eta vs tors. theta energy: -46.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -521.567337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.567337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.567337 (E_RNA) where: Base-Base interactions energy: -228.471 where: short stacking energy: -132.356 Base-Backbone interact. energy: 0.405 local terms energy: -293.500789 where: bonds (distance) C4'-P energy: -72.281 bonds (distance) P-C4' energy: -84.787 flat angles C4'-P-C4' energy: -82.322 flat angles P-C4'-P energy: -48.427 tors. eta vs tors. theta energy: -5.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -500.640505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.640505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.640505 (E_RNA) where: Base-Base interactions energy: -222.236 where: short stacking energy: -131.022 Base-Backbone interact. energy: 1.176 local terms energy: -279.580931 where: bonds (distance) C4'-P energy: -85.057 bonds (distance) P-C4' energy: -82.141 flat angles C4'-P-C4' energy: -78.372 flat angles P-C4'-P energy: -45.761 tors. eta vs tors. theta energy: 11.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1522.011775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.011775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.011775 (E_RNA) where: Base-Base interactions energy: -1024.922 where: short stacking energy: -484.855 Base-Backbone interact. energy: -3.000 local terms energy: -494.090151 where: bonds (distance) C4'-P energy: -94.318 bonds (distance) P-C4' energy: -83.501 flat angles C4'-P-C4' energy: -112.964 flat angles P-C4'-P energy: -66.931 tors. eta vs tors. theta energy: -136.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1409.339531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.339531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.339531 (E_RNA) where: Base-Base interactions energy: -921.296 where: short stacking energy: -441.074 Base-Backbone interact. energy: -1.503 local terms energy: -486.540124 where: bonds (distance) C4'-P energy: -89.215 bonds (distance) P-C4' energy: -92.225 flat angles C4'-P-C4' energy: -110.372 flat angles P-C4'-P energy: -71.861 tors. eta vs tors. theta energy: -122.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -1361.088652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.088652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.088652 (E_RNA) where: Base-Base interactions energy: -902.240 where: short stacking energy: -389.590 Base-Backbone interact. energy: 0.917 local terms energy: -459.765502 where: bonds (distance) C4'-P energy: -88.910 bonds (distance) P-C4' energy: -101.012 flat angles C4'-P-C4' energy: -94.080 flat angles P-C4'-P energy: -64.816 tors. eta vs tors. theta energy: -110.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1256.138488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.138488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.138488 (E_RNA) where: Base-Base interactions energy: -821.669 where: short stacking energy: -357.740 Base-Backbone interact. energy: -2.709 local terms energy: -431.760342 where: bonds (distance) C4'-P energy: -83.802 bonds (distance) P-C4' energy: -102.921 flat angles C4'-P-C4' energy: -94.905 flat angles P-C4'-P energy: -57.264 tors. eta vs tors. theta energy: -92.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -1116.658001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.658001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.658001 (E_RNA) where: Base-Base interactions energy: -717.956 where: short stacking energy: -332.573 Base-Backbone interact. energy: -1.775 local terms energy: -396.927529 where: bonds (distance) C4'-P energy: -83.711 bonds (distance) P-C4' energy: -80.952 flat angles C4'-P-C4' energy: -98.298 flat angles P-C4'-P energy: -56.732 tors. eta vs tors. theta energy: -77.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1057.951581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.951581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.951581 (E_RNA) where: Base-Base interactions energy: -667.906 where: short stacking energy: -325.798 Base-Backbone interact. energy: 0.517 local terms energy: -390.562385 where: bonds (distance) C4'-P energy: -84.291 bonds (distance) P-C4' energy: -85.786 flat angles C4'-P-C4' energy: -81.668 flat angles P-C4'-P energy: -54.051 tors. eta vs tors. theta energy: -84.767 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: 3 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -835.104902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.104902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.104902 (E_RNA) where: Base-Base interactions energy: -493.782 where: short stacking energy: -236.872 Base-Backbone interact. energy: 0.164 local terms energy: -341.487394 where: bonds (distance) C4'-P energy: -82.537 bonds (distance) P-C4' energy: -74.906 flat angles C4'-P-C4' energy: -95.593 flat angles P-C4'-P energy: -54.215 tors. eta vs tors. theta energy: -34.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -862.448687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.448687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.448687 (E_RNA) where: Base-Base interactions energy: -536.436 where: short stacking energy: -238.203 Base-Backbone interact. energy: -0.558 local terms energy: -325.454779 where: bonds (distance) C4'-P energy: -83.807 bonds (distance) P-C4' energy: -73.714 flat angles C4'-P-C4' energy: -93.045 flat angles P-C4'-P energy: -37.414 tors. eta vs tors. theta energy: -37.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -578.250933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.250933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.250933 (E_RNA) where: Base-Base interactions energy: -280.877 where: short stacking energy: -146.803 Base-Backbone interact. energy: -1.087 local terms energy: -296.286325 where: bonds (distance) C4'-P energy: -79.608 bonds (distance) P-C4' energy: -95.125 flat angles C4'-P-C4' energy: -75.154 flat angles P-C4'-P energy: -43.215 tors. eta vs tors. theta energy: -3.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -532.752512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.752512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.752512 (E_RNA) where: Base-Base interactions energy: -242.242 where: short stacking energy: -142.943 Base-Backbone interact. energy: -2.373 local terms energy: -288.136911 where: bonds (distance) C4'-P energy: -78.740 bonds (distance) P-C4' energy: -91.092 flat angles C4'-P-C4' energy: -73.602 flat angles P-C4'-P energy: -36.026 tors. eta vs tors. theta energy: -8.677 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: 9 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1491.888629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.888629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.888629 (E_RNA) where: Base-Base interactions energy: -1001.178 where: short stacking energy: -450.004 Base-Backbone interact. energy: 0.722 local terms energy: -491.432352 where: bonds (distance) C4'-P energy: -93.920 bonds (distance) P-C4' energy: -90.241 flat angles C4'-P-C4' energy: -105.829 flat angles P-C4'-P energy: -76.519 tors. eta vs tors. theta energy: -124.924 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: 5 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1398.856113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.856113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.856113 (E_RNA) where: Base-Base interactions energy: -919.763 where: short stacking energy: -437.816 Base-Backbone interact. energy: 4.705 local terms energy: -483.797564 where: bonds (distance) C4'-P energy: -97.770 bonds (distance) P-C4' energy: -89.517 flat angles C4'-P-C4' energy: -107.914 flat angles P-C4'-P energy: -64.451 tors. eta vs tors. theta energy: -124.146 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: 3, replica: 2 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -1298.832350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.832350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.832350 (E_RNA) where: Base-Base interactions energy: -833.426 where: short stacking energy: -363.867 Base-Backbone interact. energy: -0.825 local terms energy: -464.582085 where: bonds (distance) C4'-P energy: -92.930 bonds (distance) P-C4' energy: -103.451 flat angles C4'-P-C4' energy: -97.625 flat angles P-C4'-P energy: -72.813 tors. eta vs tors. theta energy: -97.763 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: 10 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1257.962053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.962053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.962053 (E_RNA) where: Base-Base interactions energy: -797.003 where: short stacking energy: -381.044 Base-Backbone interact. energy: -2.625 local terms energy: -458.334510 where: bonds (distance) C4'-P energy: -85.651 bonds (distance) P-C4' energy: -95.627 flat angles C4'-P-C4' energy: -103.436 flat angles P-C4'-P energy: -66.011 tors. eta vs tors. theta energy: -107.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -1161.885743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.885743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.885743 (E_RNA) where: Base-Base interactions energy: -752.823 where: short stacking energy: -341.903 Base-Backbone interact. energy: -4.548 local terms energy: -404.514463 where: bonds (distance) C4'-P energy: -64.734 bonds (distance) P-C4' energy: -91.464 flat angles C4'-P-C4' energy: -92.698 flat angles P-C4'-P energy: -61.527 tors. eta vs tors. theta energy: -94.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1034.787418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.787418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.787418 (E_RNA) where: Base-Base interactions energy: -653.058 where: short stacking energy: -317.520 Base-Backbone interact. energy: -0.831 local terms energy: -380.897499 where: bonds (distance) C4'-P energy: -71.592 bonds (distance) P-C4' energy: -71.738 flat angles C4'-P-C4' energy: -96.960 flat angles P-C4'-P energy: -60.156 tors. eta vs tors. theta energy: -80.452 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: 1 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -900.418443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.418443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.418443 (E_RNA) where: Base-Base interactions energy: -552.150 where: short stacking energy: -250.137 Base-Backbone interact. energy: -1.416 local terms energy: -346.852381 where: bonds (distance) C4'-P energy: -82.793 bonds (distance) P-C4' energy: -85.246 flat angles C4'-P-C4' energy: -79.329 flat angles P-C4'-P energy: -54.125 tors. eta vs tors. theta energy: -45.359 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: 3 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -864.917298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.917298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.917298 (E_RNA) where: Base-Base interactions energy: -508.169 where: short stacking energy: -248.443 Base-Backbone interact. energy: -1.102 local terms energy: -355.646749 where: bonds (distance) C4'-P energy: -79.116 bonds (distance) P-C4' energy: -87.676 flat angles C4'-P-C4' energy: -74.198 flat angles P-C4'-P energy: -72.364 tors. eta vs tors. theta energy: -42.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -607.332533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.332533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.332533 (E_RNA) where: Base-Base interactions energy: -323.756 where: short stacking energy: -176.903 Base-Backbone interact. energy: 4.117 local terms energy: -287.693315 where: bonds (distance) C4'-P energy: -87.055 bonds (distance) P-C4' energy: -86.862 flat angles C4'-P-C4' energy: -75.235 flat angles P-C4'-P energy: -35.388 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: 4 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -467.157252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.157252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.157252 (E_RNA) where: Base-Base interactions energy: -215.290 where: short stacking energy: -104.671 Base-Backbone interact. energy: 3.738 local terms energy: -255.605633 where: bonds (distance) C4'-P energy: -69.477 bonds (distance) P-C4' energy: -92.487 flat angles C4'-P-C4' energy: -72.856 flat angles P-C4'-P energy: -36.669 tors. eta vs tors. theta energy: 15.883 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: 9 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1483.541890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.541890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.541890 (E_RNA) where: Base-Base interactions energy: -1010.166 where: short stacking energy: -439.442 Base-Backbone interact. energy: -1.904 local terms energy: -471.472319 where: bonds (distance) C4'-P energy: -90.434 bonds (distance) P-C4' energy: -100.952 flat angles C4'-P-C4' energy: -100.454 flat angles P-C4'-P energy: -68.111 tors. eta vs tors. theta energy: -111.522 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: 5 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1402.038627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.038627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.038627 (E_RNA) where: Base-Base interactions energy: -900.824 where: short stacking energy: -426.904 Base-Backbone interact. energy: 0.666 local terms energy: -501.881060 where: bonds (distance) C4'-P energy: -102.618 bonds (distance) P-C4' energy: -95.628 flat angles C4'-P-C4' energy: -104.286 flat angles P-C4'-P energy: -69.830 tors. eta vs tors. theta energy: -129.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1345.159950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.159950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.159950 (E_RNA) where: Base-Base interactions energy: -874.255 where: short stacking energy: -401.156 Base-Backbone interact. energy: 0.087 local terms energy: -470.991529 where: bonds (distance) C4'-P energy: -87.331 bonds (distance) P-C4' energy: -92.519 flat angles C4'-P-C4' energy: -111.521 flat angles P-C4'-P energy: -61.240 tors. eta vs tors. theta energy: -118.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1218.714309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.714309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.714309 (E_RNA) where: Base-Base interactions energy: -779.068 where: short stacking energy: -381.682 Base-Backbone interact. energy: -0.967 local terms energy: -438.679512 where: bonds (distance) C4'-P energy: -77.803 bonds (distance) P-C4' energy: -91.471 flat angles C4'-P-C4' energy: -98.746 flat angles P-C4'-P energy: -59.138 tors. eta vs tors. theta energy: -111.521 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: 7 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -1170.380930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.380930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.380930 (E_RNA) where: Base-Base interactions energy: -757.734 where: short stacking energy: -378.384 Base-Backbone interact. energy: -1.724 local terms energy: -410.922706 where: bonds (distance) C4'-P energy: -86.090 bonds (distance) P-C4' energy: -84.191 flat angles C4'-P-C4' energy: -95.293 flat angles P-C4'-P energy: -50.542 tors. eta vs tors. theta energy: -94.807 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: 6 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -1050.895889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.895889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.895889 (E_RNA) where: Base-Base interactions energy: -666.655 where: short stacking energy: -321.038 Base-Backbone interact. energy: -2.733 local terms energy: -381.507838 where: bonds (distance) C4'-P energy: -81.960 bonds (distance) P-C4' energy: -81.472 flat angles C4'-P-C4' energy: -76.334 flat angles P-C4'-P energy: -68.513 tors. eta vs tors. theta energy: -73.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -897.427421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.427421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.427421 (E_RNA) where: Base-Base interactions energy: -541.948 where: short stacking energy: -252.195 Base-Backbone interact. energy: -0.014 local terms energy: -355.465438 where: bonds (distance) C4'-P energy: -93.907 bonds (distance) P-C4' energy: -71.131 flat angles C4'-P-C4' energy: -79.530 flat angles P-C4'-P energy: -60.600 tors. eta vs tors. theta energy: -50.298 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: 3 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -825.973760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.973760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.973760 (E_RNA) where: Base-Base interactions energy: -499.858 where: short stacking energy: -250.665 Base-Backbone interact. energy: 2.186 local terms energy: -328.301085 where: bonds (distance) C4'-P energy: -69.023 bonds (distance) P-C4' energy: -66.623 flat angles C4'-P-C4' energy: -95.742 flat angles P-C4'-P energy: -55.480 tors. eta vs tors. theta energy: -41.433 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: 8 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -607.325858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.325858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.325858 (E_RNA) where: Base-Base interactions energy: -318.862 where: short stacking energy: -174.658 Base-Backbone interact. energy: 0.580 local terms energy: -289.043910 where: bonds (distance) C4'-P energy: -85.373 bonds (distance) P-C4' energy: -83.573 flat angles C4'-P-C4' energy: -68.733 flat angles P-C4'-P energy: -46.785 tors. eta vs tors. theta energy: -4.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -507.670891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.670891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.670891 (E_RNA) where: Base-Base interactions energy: -251.387 where: short stacking energy: -144.265 Base-Backbone interact. energy: -0.015 local terms energy: -256.268830 where: bonds (distance) C4'-P energy: -74.079 bonds (distance) P-C4' energy: -81.276 flat angles C4'-P-C4' energy: -73.575 flat angles P-C4'-P energy: -33.088 tors. eta vs tors. theta energy: 5.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1464.097485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.097485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.097485 (E_RNA) where: Base-Base interactions energy: -964.799 where: short stacking energy: -443.047 Base-Backbone interact. energy: -2.235 local terms energy: -497.063849 where: bonds (distance) C4'-P energy: -91.910 bonds (distance) P-C4' energy: -91.270 flat angles C4'-P-C4' energy: -102.565 flat angles P-C4'-P energy: -69.196 tors. eta vs tors. theta energy: -142.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1464.296737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.296737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.296737 (E_RNA) where: Base-Base interactions energy: -956.820 where: short stacking energy: -430.519 Base-Backbone interact. energy: 0.568 local terms energy: -508.044083 where: bonds (distance) C4'-P energy: -104.278 bonds (distance) P-C4' energy: -94.918 flat angles C4'-P-C4' energy: -115.081 flat angles P-C4'-P energy: -67.680 tors. eta vs tors. theta energy: -126.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1361.998779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.998779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.998779 (E_RNA) where: Base-Base interactions energy: -887.553 where: short stacking energy: -402.990 Base-Backbone interact. energy: -0.523 local terms energy: -473.922228 where: bonds (distance) C4'-P energy: -88.482 bonds (distance) P-C4' energy: -99.669 flat angles C4'-P-C4' energy: -103.717 flat angles P-C4'-P energy: -57.082 tors. eta vs tors. theta energy: -124.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1263.653475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.653475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.653475 (E_RNA) where: Base-Base interactions energy: -822.553 where: short stacking energy: -404.441 Base-Backbone interact. energy: 0.672 local terms energy: -441.773304 where: bonds (distance) C4'-P energy: -85.365 bonds (distance) P-C4' energy: -94.764 flat angles C4'-P-C4' energy: -99.858 flat angles P-C4'-P energy: -55.689 tors. eta vs tors. theta energy: -106.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -1137.124733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.124733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.124733 (E_RNA) where: Base-Base interactions energy: -731.182 where: short stacking energy: -333.626 Base-Backbone interact. energy: -1.438 local terms energy: -404.503998 where: bonds (distance) C4'-P energy: -95.226 bonds (distance) P-C4' energy: -75.389 flat angles C4'-P-C4' energy: -93.173 flat angles P-C4'-P energy: -68.484 tors. eta vs tors. theta energy: -72.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -1010.484128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.484128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.484128 (E_RNA) where: Base-Base interactions energy: -608.206 where: short stacking energy: -277.945 Base-Backbone interact. energy: -1.924 local terms energy: -400.353722 where: bonds (distance) C4'-P energy: -97.519 bonds (distance) P-C4' energy: -88.621 flat angles C4'-P-C4' energy: -88.792 flat angles P-C4'-P energy: -52.926 tors. eta vs tors. theta energy: -72.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -865.236896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.236896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.236896 (E_RNA) where: Base-Base interactions energy: -506.031 where: short stacking energy: -261.310 Base-Backbone interact. energy: -1.549 local terms energy: -357.657750 where: bonds (distance) C4'-P energy: -85.797 bonds (distance) P-C4' energy: -89.225 flat angles C4'-P-C4' energy: -88.663 flat angles P-C4'-P energy: -52.025 tors. eta vs tors. theta energy: -41.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -810.687652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.687652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.687652 (E_RNA) where: Base-Base interactions energy: -502.971 where: short stacking energy: -227.118 Base-Backbone interact. energy: -0.336 local terms energy: -307.380866 where: bonds (distance) C4'-P energy: -72.200 bonds (distance) P-C4' energy: -81.416 flat angles C4'-P-C4' energy: -75.749 flat angles P-C4'-P energy: -51.175 tors. eta vs tors. theta energy: -26.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -576.363630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.363630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.363630 (E_RNA) where: Base-Base interactions energy: -317.977 where: short stacking energy: -189.924 Base-Backbone interact. energy: 2.207 local terms energy: -260.593099 where: bonds (distance) C4'-P energy: -68.936 bonds (distance) P-C4' energy: -76.675 flat angles C4'-P-C4' energy: -76.705 flat angles P-C4'-P energy: -27.504 tors. eta vs tors. theta energy: -10.772 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: 4 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -489.722040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.722040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.722040 (E_RNA) where: Base-Base interactions energy: -224.511 where: short stacking energy: -138.837 Base-Backbone interact. energy: 0.646 local terms energy: -265.857330 where: bonds (distance) C4'-P energy: -87.826 bonds (distance) P-C4' energy: -80.523 flat angles C4'-P-C4' energy: -57.040 flat angles P-C4'-P energy: -46.550 tors. eta vs tors. theta energy: 6.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1459.174408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.174408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.174408 (E_RNA) where: Base-Base interactions energy: -946.021 where: short stacking energy: -454.986 Base-Backbone interact. energy: -1.686 local terms energy: -511.467441 where: bonds (distance) C4'-P energy: -100.840 bonds (distance) P-C4' energy: -104.623 flat angles C4'-P-C4' energy: -109.002 flat angles P-C4'-P energy: -67.793 tors. eta vs tors. theta energy: -129.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1486.043843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.043843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.043843 (E_RNA) where: Base-Base interactions energy: -981.339 where: short stacking energy: -439.528 Base-Backbone interact. energy: 0.841 local terms energy: -505.546444 where: bonds (distance) C4'-P energy: -94.431 bonds (distance) P-C4' energy: -96.695 flat angles C4'-P-C4' energy: -109.563 flat angles P-C4'-P energy: -83.196 tors. eta vs tors. theta energy: -121.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1338.314578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.314578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.314578 (E_RNA) where: Base-Base interactions energy: -869.924 where: short stacking energy: -390.414 Base-Backbone interact. energy: -1.850 local terms energy: -466.541160 where: bonds (distance) C4'-P energy: -93.108 bonds (distance) P-C4' energy: -107.403 flat angles C4'-P-C4' energy: -89.674 flat angles P-C4'-P energy: -57.441 tors. eta vs tors. theta energy: -118.915 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: 10 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1239.338151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.338151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.338151 (E_RNA) where: Base-Base interactions energy: -808.408 where: short stacking energy: -387.123 Base-Backbone interact. energy: -1.772 local terms energy: -429.158512 where: bonds (distance) C4'-P energy: -99.204 bonds (distance) P-C4' energy: -84.185 flat angles C4'-P-C4' energy: -102.624 flat angles P-C4'-P energy: -44.708 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: 5, replica: 7 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -1096.250615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.250615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.250615 (E_RNA) where: Base-Base interactions energy: -709.267 where: short stacking energy: -314.811 Base-Backbone interact. energy: -3.234 local terms energy: -383.748797 where: bonds (distance) C4'-P energy: -80.734 bonds (distance) P-C4' energy: -92.819 flat angles C4'-P-C4' energy: -90.941 flat angles P-C4'-P energy: -42.480 tors. eta vs tors. theta energy: -76.776 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: 6 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1008.110090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.110090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.110090 (E_RNA) where: Base-Base interactions energy: -619.791 where: short stacking energy: -294.684 Base-Backbone interact. energy: -0.523 local terms energy: -387.796383 where: bonds (distance) C4'-P energy: -77.200 bonds (distance) P-C4' energy: -92.946 flat angles C4'-P-C4' energy: -93.324 flat angles P-C4'-P energy: -50.646 tors. eta vs tors. theta energy: -73.680 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: 3 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -909.469640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.469640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.469640 (E_RNA) where: Base-Base interactions energy: -560.605 where: short stacking energy: -273.172 Base-Backbone interact. energy: 0.650 local terms energy: -349.514526 where: bonds (distance) C4'-P energy: -85.387 bonds (distance) P-C4' energy: -91.937 flat angles C4'-P-C4' energy: -66.098 flat angles P-C4'-P energy: -54.853 tors. eta vs tors. theta energy: -51.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -845.306022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.306022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.306022 (E_RNA) where: Base-Base interactions energy: -491.611 where: short stacking energy: -241.067 Base-Backbone interact. energy: -0.470 local terms energy: -353.225389 where: bonds (distance) C4'-P energy: -87.044 bonds (distance) P-C4' energy: -90.250 flat angles C4'-P-C4' energy: -73.728 flat angles P-C4'-P energy: -45.373 tors. eta vs tors. theta energy: -56.830 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: 8 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -584.961207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.961207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.961207 (E_RNA) where: Base-Base interactions energy: -291.912 where: short stacking energy: -161.965 Base-Backbone interact. energy: 2.816 local terms energy: -295.865123 where: bonds (distance) C4'-P energy: -85.027 bonds (distance) P-C4' energy: -91.290 flat angles C4'-P-C4' energy: -72.812 flat angles P-C4'-P energy: -43.617 tors. eta vs tors. theta energy: -3.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -515.084781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.084781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.084781 (E_RNA) where: Base-Base interactions energy: -242.308 where: short stacking energy: -148.114 Base-Backbone interact. energy: 0.058 local terms energy: -272.834683 where: bonds (distance) C4'-P energy: -81.587 bonds (distance) P-C4' energy: -86.650 flat angles C4'-P-C4' energy: -73.620 flat angles P-C4'-P energy: -37.948 tors. eta vs tors. theta energy: 6.970 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: 9 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1512.990581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.990581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.990581 (E_RNA) where: Base-Base interactions energy: -990.356 where: short stacking energy: -452.698 Base-Backbone interact. energy: 0.617 local terms energy: -523.251140 where: bonds (distance) C4'-P energy: -97.929 bonds (distance) P-C4' energy: -100.036 flat angles C4'-P-C4' energy: -114.850 flat angles P-C4'-P energy: -78.723 tors. eta vs tors. theta energy: -131.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1432.037363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.037363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.037363 (E_RNA) where: Base-Base interactions energy: -949.367 where: short stacking energy: -446.889 Base-Backbone interact. energy: -0.354 local terms energy: -482.316065 where: bonds (distance) C4'-P energy: -90.171 bonds (distance) P-C4' energy: -89.192 flat angles C4'-P-C4' energy: -106.108 flat angles P-C4'-P energy: -69.075 tors. eta vs tors. theta energy: -127.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1334.316222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.316222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.316222 (E_RNA) where: Base-Base interactions energy: -867.770 where: short stacking energy: -402.536 Base-Backbone interact. energy: -1.153 local terms energy: -465.393201 where: bonds (distance) C4'-P energy: -88.070 bonds (distance) P-C4' energy: -85.736 flat angles C4'-P-C4' energy: -96.649 flat angles P-C4'-P energy: -77.279 tors. eta vs tors. theta energy: -117.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1247.169690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.169690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.169690 (E_RNA) where: Base-Base interactions energy: -817.139 where: short stacking energy: -370.411 Base-Backbone interact. energy: -0.904 local terms energy: -429.127540 where: bonds (distance) C4'-P energy: -88.122 bonds (distance) P-C4' energy: -98.277 flat angles C4'-P-C4' energy: -93.176 flat angles P-C4'-P energy: -58.110 tors. eta vs tors. theta energy: -91.442 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: 7 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -1115.065038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.065038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.065038 (E_RNA) where: Base-Base interactions energy: -699.414 where: short stacking energy: -340.026 Base-Backbone interact. energy: -1.215 local terms energy: -414.436780 where: bonds (distance) C4'-P energy: -80.029 bonds (distance) P-C4' energy: -99.235 flat angles C4'-P-C4' energy: -89.708 flat angles P-C4'-P energy: -56.870 tors. eta vs tors. theta energy: -88.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -1041.922919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.922919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.922919 (E_RNA) where: Base-Base interactions energy: -654.207 where: short stacking energy: -313.792 Base-Backbone interact. energy: -1.820 local terms energy: -385.896261 where: bonds (distance) C4'-P energy: -84.118 bonds (distance) P-C4' energy: -97.041 flat angles C4'-P-C4' energy: -81.056 flat angles P-C4'-P energy: -59.414 tors. eta vs tors. theta energy: -64.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -898.893413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.893413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.893413 (E_RNA) where: Base-Base interactions energy: -526.323 where: short stacking energy: -243.695 Base-Backbone interact. energy: -1.853 local terms energy: -370.717895 where: bonds (distance) C4'-P energy: -78.418 bonds (distance) P-C4' energy: -96.217 flat angles C4'-P-C4' energy: -89.595 flat angles P-C4'-P energy: -59.854 tors. eta vs tors. theta energy: -46.633 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: 1 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -843.480950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.480950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.480950 (E_RNA) where: Base-Base interactions energy: -521.384 where: short stacking energy: -259.143 Base-Backbone interact. energy: 0.205 local terms energy: -322.301968 where: bonds (distance) C4'-P energy: -82.642 bonds (distance) P-C4' energy: -55.525 flat angles C4'-P-C4' energy: -73.412 flat angles P-C4'-P energy: -60.747 tors. eta vs tors. theta energy: -49.975 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: 9, replica: 4 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -514.117257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.117257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.117257 (E_RNA) where: Base-Base interactions energy: -262.356 where: short stacking energy: -163.201 Base-Backbone interact. energy: 0.358 local terms energy: -252.119685 where: bonds (distance) C4'-P energy: -77.887 bonds (distance) P-C4' energy: -60.735 flat angles C4'-P-C4' energy: -83.334 flat angles P-C4'-P energy: -29.007 tors. eta vs tors. theta energy: -1.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -541.688193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.688193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.688193 (E_RNA) where: Base-Base interactions energy: -250.815 where: short stacking energy: -137.441 Base-Backbone interact. energy: 0.949 local terms energy: -291.822425 where: bonds (distance) C4'-P energy: -76.267 bonds (distance) P-C4' energy: -81.907 flat angles C4'-P-C4' energy: -76.039 flat angles P-C4'-P energy: -52.246 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: 1, replica: 9 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1504.434586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.434586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.434586 (E_RNA) where: Base-Base interactions energy: -999.726 where: short stacking energy: -457.668 Base-Backbone interact. energy: -3.079 local terms energy: -501.628864 where: bonds (distance) C4'-P energy: -101.505 bonds (distance) P-C4' energy: -91.407 flat angles C4'-P-C4' energy: -102.023 flat angles P-C4'-P energy: -66.649 tors. eta vs tors. theta energy: -140.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1378.427526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.427526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.427526 (E_RNA) where: Base-Base interactions energy: -910.560 where: short stacking energy: -427.246 Base-Backbone interact. energy: -2.012 local terms energy: -465.854993 where: bonds (distance) C4'-P energy: -93.846 bonds (distance) P-C4' energy: -83.589 flat angles C4'-P-C4' energy: -105.864 flat angles P-C4'-P energy: -60.326 tors. eta vs tors. theta energy: -122.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1322.291565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.291565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.291565 (E_RNA) where: Base-Base interactions energy: -867.175 where: short stacking energy: -379.365 Base-Backbone interact. energy: 1.743 local terms energy: -456.859520 where: bonds (distance) C4'-P energy: -101.761 bonds (distance) P-C4' energy: -88.973 flat angles C4'-P-C4' energy: -104.772 flat angles P-C4'-P energy: -61.615 tors. eta vs tors. theta energy: -99.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1234.767002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.767002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.767002 (E_RNA) where: Base-Base interactions energy: -808.831 where: short stacking energy: -346.597 Base-Backbone interact. energy: 2.923 local terms energy: -428.859422 where: bonds (distance) C4'-P energy: -82.416 bonds (distance) P-C4' energy: -93.215 flat angles C4'-P-C4' energy: -96.725 flat angles P-C4'-P energy: -56.868 tors. eta vs tors. theta energy: -99.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -1128.936604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.936604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.936604 (E_RNA) where: Base-Base interactions energy: -740.375 where: short stacking energy: -320.418 Base-Backbone interact. energy: -2.321 local terms energy: -386.240773 where: bonds (distance) C4'-P energy: -84.476 bonds (distance) P-C4' energy: -89.225 flat angles C4'-P-C4' energy: -82.928 flat angles P-C4'-P energy: -56.792 tors. eta vs tors. theta energy: -72.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -1025.828727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.828727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.828727 (E_RNA) where: Base-Base interactions energy: -650.006 where: short stacking energy: -285.979 Base-Backbone interact. energy: -1.924 local terms energy: -373.898251 where: bonds (distance) C4'-P energy: -80.554 bonds (distance) P-C4' energy: -83.399 flat angles C4'-P-C4' energy: -83.871 flat angles P-C4'-P energy: -53.551 tors. eta vs tors. theta energy: -72.523 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: 3 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -850.944976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.944976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.944976 (E_RNA) where: Base-Base interactions energy: -510.948 where: short stacking energy: -227.343 Base-Backbone interact. energy: -0.664 local terms energy: -339.332818 where: bonds (distance) C4'-P energy: -72.350 bonds (distance) P-C4' energy: -93.977 flat angles C4'-P-C4' energy: -80.285 flat angles P-C4'-P energy: -47.808 tors. eta vs tors. theta energy: -44.914 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: 8, replica: 1 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -822.148881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.148881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.148881 (E_RNA) where: Base-Base interactions energy: -478.884 where: short stacking energy: -208.746 Base-Backbone interact. energy: -1.901 local terms energy: -341.364005 where: bonds (distance) C4'-P energy: -76.137 bonds (distance) P-C4' energy: -93.899 flat angles C4'-P-C4' energy: -84.274 flat angles P-C4'-P energy: -55.737 tors. eta vs tors. theta energy: -31.317 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: 437 Temperature: 1.300000 Total energy: -548.526721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.526721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.526721 (E_RNA) where: Base-Base interactions energy: -255.478 where: short stacking energy: -158.939 Base-Backbone interact. energy: 1.655 local terms energy: -294.703199 where: bonds (distance) C4'-P energy: -80.302 bonds (distance) P-C4' energy: -87.911 flat angles C4'-P-C4' energy: -69.437 flat angles P-C4'-P energy: -44.887 tors. eta vs tors. theta energy: -12.166 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: 8 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -575.631050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.631050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.631050 (E_RNA) where: Base-Base interactions energy: -303.557 where: short stacking energy: -174.201 Base-Backbone interact. energy: 2.697 local terms energy: -274.771236 where: bonds (distance) C4'-P energy: -78.642 bonds (distance) P-C4' energy: -73.525 flat angles C4'-P-C4' energy: -79.763 flat angles P-C4'-P energy: -36.867 tors. eta vs tors. theta energy: -5.974 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: 9 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1504.788929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.788929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.788929 (E_RNA) where: Base-Base interactions energy: -986.191 where: short stacking energy: -458.931 Base-Backbone interact. energy: -2.764 local terms energy: -515.833929 where: bonds (distance) C4'-P energy: -99.474 bonds (distance) P-C4' energy: -100.738 flat angles C4'-P-C4' energy: -102.968 flat angles P-C4'-P energy: -80.230 tors. eta vs tors. theta energy: -132.424 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: 5 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1421.620085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.620085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.620085 (E_RNA) where: Base-Base interactions energy: -916.044 where: short stacking energy: -448.060 Base-Backbone interact. energy: 1.044 local terms energy: -506.619392 where: bonds (distance) C4'-P energy: -98.745 bonds (distance) P-C4' energy: -94.862 flat angles C4'-P-C4' energy: -108.915 flat angles P-C4'-P energy: -76.600 tors. eta vs tors. theta energy: -127.498 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: 2 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1327.781872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.781872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.781872 (E_RNA) where: Base-Base interactions energy: -874.258 where: short stacking energy: -382.670 Base-Backbone interact. energy: -3.026 local terms energy: -450.497881 where: bonds (distance) C4'-P energy: -89.495 bonds (distance) P-C4' energy: -86.373 flat angles C4'-P-C4' energy: -104.012 flat angles P-C4'-P energy: -60.291 tors. eta vs tors. theta energy: -110.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1240.694641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.694641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.694641 (E_RNA) where: Base-Base interactions energy: -817.567 where: short stacking energy: -358.817 Base-Backbone interact. energy: 0.406 local terms energy: -423.534439 where: bonds (distance) C4'-P energy: -83.188 bonds (distance) P-C4' energy: -96.955 flat angles C4'-P-C4' energy: -93.497 flat angles P-C4'-P energy: -61.989 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: 7 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -1161.608069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.608069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.608069 (E_RNA) where: Base-Base interactions energy: -758.649 where: short stacking energy: -344.437 Base-Backbone interact. energy: -2.905 local terms energy: -400.053892 where: bonds (distance) C4'-P energy: -74.143 bonds (distance) P-C4' energy: -99.249 flat angles C4'-P-C4' energy: -94.514 flat angles P-C4'-P energy: -52.504 tors. eta vs tors. theta energy: -79.644 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: 6 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1035.169236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.169236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.169236 (E_RNA) where: Base-Base interactions energy: -658.164 where: short stacking energy: -319.325 Base-Backbone interact. energy: -2.657 local terms energy: -374.348669 where: bonds (distance) C4'-P energy: -82.425 bonds (distance) P-C4' energy: -91.474 flat angles C4'-P-C4' energy: -75.157 flat angles P-C4'-P energy: -49.001 tors. eta vs tors. theta energy: -76.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -788.317689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.317689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.317689 (E_RNA) where: Base-Base interactions energy: -447.015 where: short stacking energy: -215.683 Base-Backbone interact. energy: -2.128 local terms energy: -339.175443 where: bonds (distance) C4'-P energy: -81.838 bonds (distance) P-C4' energy: -85.599 flat angles C4'-P-C4' energy: -75.971 flat angles P-C4'-P energy: -53.228 tors. eta vs tors. theta energy: -42.539 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: 1 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -805.349893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.349893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.349893 (E_RNA) where: Base-Base interactions energy: -456.023 where: short stacking energy: -217.838 Base-Backbone interact. energy: 3.240 local terms energy: -352.566973 where: bonds (distance) C4'-P energy: -91.211 bonds (distance) P-C4' energy: -84.392 flat angles C4'-P-C4' energy: -82.041 flat angles P-C4'-P energy: -56.539 tors. eta vs tors. theta energy: -38.384 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: 438 Temperature: 1.300000 Total energy: -562.990083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.990083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.990083 (E_RNA) where: Base-Base interactions energy: -265.373 where: short stacking energy: -158.692 Base-Backbone interact. energy: -1.977 local terms energy: -295.640393 where: bonds (distance) C4'-P energy: -77.390 bonds (distance) P-C4' energy: -91.908 flat angles C4'-P-C4' energy: -75.809 flat angles P-C4'-P energy: -42.512 tors. eta vs tors. theta energy: -8.021 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: 8 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -554.177295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.177295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.177295 (E_RNA) where: Base-Base interactions energy: -285.465 where: short stacking energy: -152.835 Base-Backbone interact. energy: -1.348 local terms energy: -267.364622 where: bonds (distance) C4'-P energy: -79.181 bonds (distance) P-C4' energy: -76.986 flat angles C4'-P-C4' energy: -65.003 flat angles P-C4'-P energy: -48.059 tors. eta vs tors. theta energy: 1.864 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: 1, replica: 9 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1513.266670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.266670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.266670 (E_RNA) where: Base-Base interactions energy: -1019.237 where: short stacking energy: -463.321 Base-Backbone interact. energy: -0.347 local terms energy: -493.682469 where: bonds (distance) C4'-P energy: -98.111 bonds (distance) P-C4' energy: -97.848 flat angles C4'-P-C4' energy: -102.140 flat angles P-C4'-P energy: -68.269 tors. eta vs tors. theta energy: -127.314 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: 5 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1363.052407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.052407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.052407 (E_RNA) where: Base-Base interactions energy: -863.849 where: short stacking energy: -412.827 Base-Backbone interact. energy: -1.311 local terms energy: -497.893148 where: bonds (distance) C4'-P energy: -102.860 bonds (distance) P-C4' energy: -99.815 flat angles C4'-P-C4' energy: -116.216 flat angles P-C4'-P energy: -59.903 tors. eta vs tors. theta energy: -119.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -1355.317477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.317477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.317477 (E_RNA) where: Base-Base interactions energy: -886.395 where: short stacking energy: -409.295 Base-Backbone interact. energy: 0.356 local terms energy: -469.278055 where: bonds (distance) C4'-P energy: -87.889 bonds (distance) P-C4' energy: -99.307 flat angles C4'-P-C4' energy: -112.920 flat angles P-C4'-P energy: -73.025 tors. eta vs tors. theta energy: -96.138 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: 4, replica: 10 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1249.851491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.851491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.851491 (E_RNA) where: Base-Base interactions energy: -807.229 where: short stacking energy: -405.643 Base-Backbone interact. energy: -0.972 local terms energy: -441.650859 where: bonds (distance) C4'-P energy: -88.635 bonds (distance) P-C4' energy: -89.528 flat angles C4'-P-C4' energy: -94.649 flat angles P-C4'-P energy: -64.493 tors. eta vs tors. theta energy: -104.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -1112.047151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.047151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.047151 (E_RNA) where: Base-Base interactions energy: -706.393 where: short stacking energy: -322.204 Base-Backbone interact. energy: 0.676 local terms energy: -406.330142 where: bonds (distance) C4'-P energy: -83.790 bonds (distance) P-C4' energy: -95.952 flat angles C4'-P-C4' energy: -93.831 flat angles P-C4'-P energy: -67.040 tors. eta vs tors. theta energy: -65.717 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: 6, replica: 6 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -1027.004720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.004720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.004720 (E_RNA) where: Base-Base interactions energy: -643.688 where: short stacking energy: -279.606 Base-Backbone interact. energy: -1.272 local terms energy: -382.044274 where: bonds (distance) C4'-P energy: -86.623 bonds (distance) P-C4' energy: -90.226 flat angles C4'-P-C4' energy: -85.289 flat angles P-C4'-P energy: -52.182 tors. eta vs tors. theta energy: -67.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -820.409982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.409982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.409982 (E_RNA) where: Base-Base interactions energy: -479.765 where: short stacking energy: -224.875 Base-Backbone interact. energy: -1.265 local terms energy: -339.379707 where: bonds (distance) C4'-P energy: -84.873 bonds (distance) P-C4' energy: -84.191 flat angles C4'-P-C4' energy: -83.518 flat angles P-C4'-P energy: -46.672 tors. eta vs tors. theta energy: -40.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -785.346758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.346758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.346758 (E_RNA) where: Base-Base interactions energy: -471.702 where: short stacking energy: -221.180 Base-Backbone interact. energy: 0.333 local terms energy: -313.978357 where: bonds (distance) C4'-P energy: -79.286 bonds (distance) P-C4' energy: -83.411 flat angles C4'-P-C4' energy: -84.333 flat angles P-C4'-P energy: -39.880 tors. eta vs tors. theta energy: -27.067 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: 4 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -531.644824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.644824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.644824 (E_RNA) where: Base-Base interactions energy: -241.295 where: short stacking energy: -145.925 Base-Backbone interact. energy: 2.826 local terms energy: -293.175258 where: bonds (distance) C4'-P energy: -80.013 bonds (distance) P-C4' energy: -103.712 flat angles C4'-P-C4' energy: -71.576 flat angles P-C4'-P energy: -37.530 tors. eta vs tors. theta energy: -0.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -509.038203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.038203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.038203 (E_RNA) where: Base-Base interactions energy: -236.846 where: short stacking energy: -149.195 Base-Backbone interact. energy: 1.662 local terms energy: -273.853597 where: bonds (distance) C4'-P energy: -73.341 bonds (distance) P-C4' energy: -85.515 flat angles C4'-P-C4' energy: -70.532 flat angles P-C4'-P energy: -39.844 tors. eta vs tors. theta energy: -4.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1498.460253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.460253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.460253 (E_RNA) where: Base-Base interactions energy: -1004.804 where: short stacking energy: -466.143 Base-Backbone interact. energy: -2.473 local terms energy: -491.182773 where: bonds (distance) C4'-P energy: -100.372 bonds (distance) P-C4' energy: -92.045 flat angles C4'-P-C4' energy: -103.053 flat angles P-C4'-P energy: -60.933 tors. eta vs tors. theta energy: -134.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1396.585248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.585248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.585248 (E_RNA) where: Base-Base interactions energy: -919.765 where: short stacking energy: -423.198 Base-Backbone interact. energy: -1.820 local terms energy: -474.999400 where: bonds (distance) C4'-P energy: -93.039 bonds (distance) P-C4' energy: -85.245 flat angles C4'-P-C4' energy: -109.605 flat angles P-C4'-P energy: -74.492 tors. eta vs tors. theta energy: -112.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1328.804348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.804348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.804348 (E_RNA) where: Base-Base interactions energy: -858.896 where: short stacking energy: -367.564 Base-Backbone interact. energy: -1.672 local terms energy: -468.235840 where: bonds (distance) C4'-P energy: -91.491 bonds (distance) P-C4' energy: -108.660 flat angles C4'-P-C4' energy: -100.681 flat angles P-C4'-P energy: -62.382 tors. eta vs tors. theta energy: -105.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1210.013881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.013881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.013881 (E_RNA) where: Base-Base interactions energy: -762.098 where: short stacking energy: -372.057 Base-Backbone interact. energy: 6.097 local terms energy: -454.012980 where: bonds (distance) C4'-P energy: -93.463 bonds (distance) P-C4' energy: -82.570 flat angles C4'-P-C4' energy: -106.699 flat angles P-C4'-P energy: -68.025 tors. eta vs tors. theta energy: -103.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1112.134521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.134521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.134521 (E_RNA) where: Base-Base interactions energy: -708.173 where: short stacking energy: -334.082 Base-Backbone interact. energy: -0.842 local terms energy: -403.119865 where: bonds (distance) C4'-P energy: -100.232 bonds (distance) P-C4' energy: -86.576 flat angles C4'-P-C4' energy: -79.692 flat angles P-C4'-P energy: -55.465 tors. eta vs tors. theta energy: -81.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -1060.416606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.416606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.416606 (E_RNA) where: Base-Base interactions energy: -662.859 where: short stacking energy: -325.114 Base-Backbone interact. energy: -0.622 local terms energy: -396.935014 where: bonds (distance) C4'-P energy: -92.899 bonds (distance) P-C4' energy: -92.402 flat angles C4'-P-C4' energy: -81.005 flat angles P-C4'-P energy: -49.741 tors. eta vs tors. theta energy: -80.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -853.944116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.944116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.944116 (E_RNA) where: Base-Base interactions energy: -511.982 where: short stacking energy: -261.972 Base-Backbone interact. energy: -1.612 local terms energy: -340.349793 where: bonds (distance) C4'-P energy: -86.552 bonds (distance) P-C4' energy: -75.002 flat angles C4'-P-C4' energy: -85.358 flat angles P-C4'-P energy: -47.612 tors. eta vs tors. theta energy: -45.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -724.712757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.712757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.712757 (E_RNA) where: Base-Base interactions energy: -403.655 where: short stacking energy: -197.742 Base-Backbone interact. energy: -0.233 local terms energy: -320.824988 where: bonds (distance) C4'-P energy: -74.443 bonds (distance) P-C4' energy: -85.537 flat angles C4'-P-C4' energy: -79.305 flat angles P-C4'-P energy: -61.482 tors. eta vs tors. theta energy: -20.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -557.494656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.494656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.494656 (E_RNA) where: Base-Base interactions energy: -268.215 where: short stacking energy: -143.364 Base-Backbone interact. energy: -3.152 local terms energy: -286.128415 where: bonds (distance) C4'-P energy: -87.661 bonds (distance) P-C4' energy: -78.367 flat angles C4'-P-C4' energy: -73.715 flat angles P-C4'-P energy: -38.604 tors. eta vs tors. theta energy: -7.781 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: 10, replica: 4 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -505.960670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.960670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.960670 (E_RNA) where: Base-Base interactions energy: -269.061 where: short stacking energy: -138.771 Base-Backbone interact. energy: 4.943 local terms energy: -241.843449 where: bonds (distance) C4'-P energy: -75.747 bonds (distance) P-C4' energy: -86.526 flat angles C4'-P-C4' energy: -59.768 flat angles P-C4'-P energy: -30.094 tors. eta vs tors. theta energy: 10.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1469.123957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.123957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.123957 (E_RNA) where: Base-Base interactions energy: -986.632 where: short stacking energy: -437.468 Base-Backbone interact. energy: -2.872 local terms energy: -479.620847 where: bonds (distance) C4'-P energy: -94.695 bonds (distance) P-C4' energy: -103.447 flat angles C4'-P-C4' energy: -91.506 flat angles P-C4'-P energy: -69.621 tors. eta vs tors. theta energy: -120.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1404.104365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.104365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.104365 (E_RNA) where: Base-Base interactions energy: -932.712 where: short stacking energy: -448.182 Base-Backbone interact. energy: -3.891 local terms energy: -467.501358 where: bonds (distance) C4'-P energy: -86.378 bonds (distance) P-C4' energy: -98.088 flat angles C4'-P-C4' energy: -100.891 flat angles P-C4'-P energy: -58.800 tors. eta vs tors. theta energy: -123.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -1290.421555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.421555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.421555 (E_RNA) where: Base-Base interactions energy: -844.070 where: short stacking energy: -372.154 Base-Backbone interact. energy: -0.437 local terms energy: -445.915167 where: bonds (distance) C4'-P energy: -87.405 bonds (distance) P-C4' energy: -85.058 flat angles C4'-P-C4' energy: -97.955 flat angles P-C4'-P energy: -60.585 tors. eta vs tors. theta energy: -114.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1255.266379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.266379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.266379 (E_RNA) where: Base-Base interactions energy: -826.648 where: short stacking energy: -392.015 Base-Backbone interact. energy: -2.011 local terms energy: -426.607015 where: bonds (distance) C4'-P energy: -70.488 bonds (distance) P-C4' energy: -87.830 flat angles C4'-P-C4' energy: -105.309 flat angles P-C4'-P energy: -64.647 tors. eta vs tors. theta energy: -98.333 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: 7 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -1136.419067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.419067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.419067 (E_RNA) where: Base-Base interactions energy: -728.287 where: short stacking energy: -326.631 Base-Backbone interact. energy: -2.876 local terms energy: -405.256478 where: bonds (distance) C4'-P energy: -90.780 bonds (distance) P-C4' energy: -84.061 flat angles C4'-P-C4' energy: -90.426 flat angles P-C4'-P energy: -59.795 tors. eta vs tors. theta energy: -80.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -1053.892045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.892045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.892045 (E_RNA) where: Base-Base interactions energy: -665.234 where: short stacking energy: -298.874 Base-Backbone interact. energy: -0.940 local terms energy: -387.718041 where: bonds (distance) C4'-P energy: -86.360 bonds (distance) P-C4' energy: -77.301 flat angles C4'-P-C4' energy: -96.507 flat angles P-C4'-P energy: -57.522 tors. eta vs tors. theta energy: -70.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -828.281994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.281994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.281994 (E_RNA) where: Base-Base interactions energy: -481.172 where: short stacking energy: -232.901 Base-Backbone interact. energy: -0.843 local terms energy: -346.266253 where: bonds (distance) C4'-P energy: -87.200 bonds (distance) P-C4' energy: -95.213 flat angles C4'-P-C4' energy: -75.202 flat angles P-C4'-P energy: -42.743 tors. eta vs tors. theta energy: -45.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -734.260436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.260436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.260436 (E_RNA) where: Base-Base interactions energy: -401.840 where: short stacking energy: -223.722 Base-Backbone interact. energy: -1.926 local terms energy: -330.494598 where: bonds (distance) C4'-P energy: -80.726 bonds (distance) P-C4' energy: -91.475 flat angles C4'-P-C4' energy: -81.830 flat angles P-C4'-P energy: -55.472 tors. eta vs tors. theta energy: -20.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -533.678801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.678801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.678801 (E_RNA) where: Base-Base interactions energy: -250.608 where: short stacking energy: -151.622 Base-Backbone interact. energy: 2.704 local terms energy: -285.774994 where: bonds (distance) C4'-P energy: -82.305 bonds (distance) P-C4' energy: -92.972 flat angles C4'-P-C4' energy: -61.093 flat angles P-C4'-P energy: -44.024 tors. eta vs tors. theta energy: -5.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -483.222463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.222463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.222463 (E_RNA) where: Base-Base interactions energy: -246.689 where: short stacking energy: -130.794 Base-Backbone interact. energy: -2.784 local terms energy: -233.749835 where: bonds (distance) C4'-P energy: -72.873 bonds (distance) P-C4' energy: -74.384 flat angles C4'-P-C4' energy: -65.977 flat angles P-C4'-P energy: -40.260 tors. eta vs tors. theta energy: 19.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -1500.881854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.881854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.881854 (E_RNA) where: Base-Base interactions energy: -1015.691 where: short stacking energy: -473.517 Base-Backbone interact. energy: -2.870 local terms energy: -482.321455 where: bonds (distance) C4'-P energy: -77.103 bonds (distance) P-C4' energy: -95.049 flat angles C4'-P-C4' energy: -100.514 flat angles P-C4'-P energy: -72.481 tors. eta vs tors. theta energy: -137.175 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: 5 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1422.705726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.705726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.705726 (E_RNA) where: Base-Base interactions energy: -947.141 where: short stacking energy: -414.836 Base-Backbone interact. energy: -1.950 local terms energy: -473.614726 where: bonds (distance) C4'-P energy: -90.610 bonds (distance) P-C4' energy: -104.089 flat angles C4'-P-C4' energy: -95.683 flat angles P-C4'-P energy: -64.522 tors. eta vs tors. theta energy: -118.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1334.548801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.548801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.548801 (E_RNA) where: Base-Base interactions energy: -874.704 where: short stacking energy: -394.148 Base-Backbone interact. energy: -3.423 local terms energy: -456.421594 where: bonds (distance) C4'-P energy: -98.247 bonds (distance) P-C4' energy: -85.252 flat angles C4'-P-C4' energy: -91.163 flat angles P-C4'-P energy: -66.090 tors. eta vs tors. theta energy: -115.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -1247.319669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.319669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.319669 (E_RNA) where: Base-Base interactions energy: -812.376 where: short stacking energy: -384.512 Base-Backbone interact. energy: -0.916 local terms energy: -434.027902 where: bonds (distance) C4'-P energy: -92.981 bonds (distance) P-C4' energy: -72.900 flat angles C4'-P-C4' energy: -102.688 flat angles P-C4'-P energy: -60.348 tors. eta vs tors. theta energy: -105.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -1119.688929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.688929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.688929 (E_RNA) where: Base-Base interactions energy: -712.285 where: short stacking energy: -338.797 Base-Backbone interact. energy: -0.649 local terms energy: -406.755098 where: bonds (distance) C4'-P energy: -84.391 bonds (distance) P-C4' energy: -89.487 flat angles C4'-P-C4' energy: -99.826 flat angles P-C4'-P energy: -55.724 tors. eta vs tors. theta energy: -77.327 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: 6 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -1029.109522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.109522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.109522 (E_RNA) where: Base-Base interactions energy: -649.467 where: short stacking energy: -309.260 Base-Backbone interact. energy: -0.617 local terms energy: -379.025394 where: bonds (distance) C4'-P energy: -88.077 bonds (distance) P-C4' energy: -81.820 flat angles C4'-P-C4' energy: -77.777 flat angles P-C4'-P energy: -61.573 tors. eta vs tors. theta energy: -69.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -855.000999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.000999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.000999 (E_RNA) where: Base-Base interactions energy: -508.655 where: short stacking energy: -240.234 Base-Backbone interact. energy: -0.028 local terms energy: -346.318510 where: bonds (distance) C4'-P energy: -90.886 bonds (distance) P-C4' energy: -80.498 flat angles C4'-P-C4' energy: -85.006 flat angles P-C4'-P energy: -49.490 tors. eta vs tors. theta energy: -40.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -695.864550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.864550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.864550 (E_RNA) where: Base-Base interactions energy: -394.428 where: short stacking energy: -215.513 Base-Backbone interact. energy: -1.060 local terms energy: -300.376777 where: bonds (distance) C4'-P energy: -83.410 bonds (distance) P-C4' energy: -75.469 flat angles C4'-P-C4' energy: -71.940 flat angles P-C4'-P energy: -44.266 tors. eta vs tors. theta energy: -25.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -555.983688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.983688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.983688 (E_RNA) where: Base-Base interactions energy: -260.136 where: short stacking energy: -139.059 Base-Backbone interact. energy: -0.384 local terms energy: -295.463784 where: bonds (distance) C4'-P energy: -84.147 bonds (distance) P-C4' energy: -91.341 flat angles C4'-P-C4' energy: -69.714 flat angles P-C4'-P energy: -42.598 tors. eta vs tors. theta energy: -7.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -489.613532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.613532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.613532 (E_RNA) where: Base-Base interactions energy: -245.752 where: short stacking energy: -128.570 Base-Backbone interact. energy: 3.618 local terms energy: -247.479654 where: bonds (distance) C4'-P energy: -72.711 bonds (distance) P-C4' energy: -84.083 flat angles C4'-P-C4' energy: -58.637 flat angles P-C4'-P energy: -36.676 tors. eta vs tors. theta energy: 4.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1493.432652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.432652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.432652 (E_RNA) where: Base-Base interactions energy: -1007.176 where: short stacking energy: -454.860 Base-Backbone interact. energy: -2.731 local terms energy: -483.525623 where: bonds (distance) C4'-P energy: -86.204 bonds (distance) P-C4' energy: -103.014 flat angles C4'-P-C4' energy: -100.056 flat angles P-C4'-P energy: -66.647 tors. eta vs tors. theta energy: -127.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1422.258407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.258407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.258407 (E_RNA) where: Base-Base interactions energy: -936.806 where: short stacking energy: -439.555 Base-Backbone interact. energy: -1.728 local terms energy: -483.724981 where: bonds (distance) C4'-P energy: -93.303 bonds (distance) P-C4' energy: -97.018 flat angles C4'-P-C4' energy: -102.268 flat angles P-C4'-P energy: -69.154 tors. eta vs tors. theta energy: -121.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1314.169048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.169048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.169048 (E_RNA) where: Base-Base interactions energy: -887.937 where: short stacking energy: -394.132 Base-Backbone interact. energy: -2.375 local terms energy: -423.857703 where: bonds (distance) C4'-P energy: -78.487 bonds (distance) P-C4' energy: -76.474 flat angles C4'-P-C4' energy: -93.649 flat angles P-C4'-P energy: -66.116 tors. eta vs tors. theta energy: -109.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1259.949003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.949003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.949003 (E_RNA) where: Base-Base interactions energy: -838.975 where: short stacking energy: -372.454 Base-Backbone interact. energy: 0.175 local terms energy: -421.148605 where: bonds (distance) C4'-P energy: -100.619 bonds (distance) P-C4' energy: -87.478 flat angles C4'-P-C4' energy: -85.090 flat angles P-C4'-P energy: -52.810 tors. eta vs tors. theta energy: -95.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -1104.236440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.236440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.236440 (E_RNA) where: Base-Base interactions energy: -725.225 where: short stacking energy: -322.850 Base-Backbone interact. energy: -0.627 local terms energy: -378.384852 where: bonds (distance) C4'-P energy: -91.589 bonds (distance) P-C4' energy: -81.136 flat angles C4'-P-C4' energy: -87.290 flat angles P-C4'-P energy: -60.398 tors. eta vs tors. theta energy: -57.971 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: 6 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -1051.523652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.523652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.523652 (E_RNA) where: Base-Base interactions energy: -688.133 where: short stacking energy: -316.036 Base-Backbone interact. energy: 2.809 local terms energy: -366.199631 where: bonds (distance) C4'-P energy: -75.344 bonds (distance) P-C4' energy: -94.001 flat angles C4'-P-C4' energy: -83.330 flat angles P-C4'-P energy: -40.378 tors. eta vs tors. theta energy: -73.147 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: 7, replica: 1 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -831.023928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.023928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.023928 (E_RNA) where: Base-Base interactions energy: -517.017 where: short stacking energy: -230.702 Base-Backbone interact. energy: -1.118 local terms energy: -312.888459 where: bonds (distance) C4'-P energy: -84.776 bonds (distance) P-C4' energy: -73.248 flat angles C4'-P-C4' energy: -81.883 flat angles P-C4'-P energy: -35.481 tors. eta vs tors. theta energy: -37.501 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: 443 Temperature: 1.250000 Total energy: -645.402475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.402475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.402475 (E_RNA) where: Base-Base interactions energy: -334.860 where: short stacking energy: -177.473 Base-Backbone interact. energy: 0.380 local terms energy: -310.922225 where: bonds (distance) C4'-P energy: -93.955 bonds (distance) P-C4' energy: -88.058 flat angles C4'-P-C4' energy: -76.412 flat angles P-C4'-P energy: -44.564 tors. eta vs tors. theta energy: -7.934 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: 8 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -561.622479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.622479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.622479 (E_RNA) where: Base-Base interactions energy: -283.765 where: short stacking energy: -129.782 Base-Backbone interact. energy: 1.923 local terms energy: -279.780780 where: bonds (distance) C4'-P energy: -87.365 bonds (distance) P-C4' energy: -76.366 flat angles C4'-P-C4' energy: -76.797 flat angles P-C4'-P energy: -46.688 tors. eta vs tors. theta energy: 7.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -541.896078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.896078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.896078 (E_RNA) where: Base-Base interactions energy: -231.388 where: short stacking energy: -128.595 Base-Backbone interact. energy: -2.406 local terms energy: -308.101682 where: bonds (distance) C4'-P energy: -86.826 bonds (distance) P-C4' energy: -80.694 flat angles C4'-P-C4' energy: -78.227 flat angles P-C4'-P energy: -53.504 tors. eta vs tors. theta energy: -8.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1473.465642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.465642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.465642 (E_RNA) where: Base-Base interactions energy: -976.595 where: short stacking energy: -431.382 Base-Backbone interact. energy: -1.192 local terms energy: -495.679230 where: bonds (distance) C4'-P energy: -93.537 bonds (distance) P-C4' energy: -99.994 flat angles C4'-P-C4' energy: -100.194 flat angles P-C4'-P energy: -73.865 tors. eta vs tors. theta energy: -128.089 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: 5 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1390.557944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.557944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.557944 (E_RNA) where: Base-Base interactions energy: -904.051 where: short stacking energy: -398.646 Base-Backbone interact. energy: -0.630 local terms energy: -485.877070 where: bonds (distance) C4'-P energy: -93.948 bonds (distance) P-C4' energy: -98.667 flat angles C4'-P-C4' energy: -105.108 flat angles P-C4'-P energy: -73.292 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: 3, replica: 2 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -1342.072577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.072577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.072577 (E_RNA) where: Base-Base interactions energy: -872.341 where: short stacking energy: -394.396 Base-Backbone interact. energy: -2.932 local terms energy: -466.799272 where: bonds (distance) C4'-P energy: -92.817 bonds (distance) P-C4' energy: -88.973 flat angles C4'-P-C4' energy: -106.418 flat angles P-C4'-P energy: -67.684 tors. eta vs tors. theta energy: -110.908 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: 10 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -1244.429912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.429912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.429912 (E_RNA) where: Base-Base interactions energy: -808.990 where: short stacking energy: -372.180 Base-Backbone interact. energy: 0.140 local terms energy: -435.580674 where: bonds (distance) C4'-P energy: -96.735 bonds (distance) P-C4' energy: -90.160 flat angles C4'-P-C4' energy: -85.108 flat angles P-C4'-P energy: -63.568 tors. eta vs tors. theta energy: -100.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -1133.939485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.939485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.939485 (E_RNA) where: Base-Base interactions energy: -715.603 where: short stacking energy: -323.939 Base-Backbone interact. energy: 2.370 local terms energy: -420.706338 where: bonds (distance) C4'-P energy: -85.570 bonds (distance) P-C4' energy: -93.092 flat angles C4'-P-C4' energy: -100.844 flat angles P-C4'-P energy: -65.195 tors. eta vs tors. theta energy: -76.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -1048.165358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.165358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.165358 (E_RNA) where: Base-Base interactions energy: -635.082 where: short stacking energy: -297.607 Base-Backbone interact. energy: -2.757 local terms energy: -410.325856 where: bonds (distance) C4'-P energy: -84.748 bonds (distance) P-C4' energy: -93.029 flat angles C4'-P-C4' energy: -84.057 flat angles P-C4'-P energy: -69.913 tors. eta vs tors. theta energy: -78.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -863.685773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.685773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.685773 (E_RNA) where: Base-Base interactions energy: -536.675 where: short stacking energy: -250.632 Base-Backbone interact. energy: 0.945 local terms energy: -327.955477 where: bonds (distance) C4'-P energy: -83.027 bonds (distance) P-C4' energy: -85.867 flat angles C4'-P-C4' energy: -83.061 flat angles P-C4'-P energy: -44.821 tors. eta vs tors. theta energy: -31.180 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: 8, replica: 3 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -642.083692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.083692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.083692 (E_RNA) where: Base-Base interactions energy: -342.477 where: short stacking energy: -183.813 Base-Backbone interact. energy: 2.066 local terms energy: -301.673508 where: bonds (distance) C4'-P energy: -84.562 bonds (distance) P-C4' energy: -76.190 flat angles C4'-P-C4' energy: -70.975 flat angles P-C4'-P energy: -38.169 tors. eta vs tors. theta energy: -31.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -551.988838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.988838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.988838 (E_RNA) where: Base-Base interactions energy: -280.685 where: short stacking energy: -159.665 Base-Backbone interact. energy: 3.169 local terms energy: -274.472944 where: bonds (distance) C4'-P energy: -73.285 bonds (distance) P-C4' energy: -82.985 flat angles C4'-P-C4' energy: -65.081 flat angles P-C4'-P energy: -45.497 tors. eta vs tors. theta energy: -7.624 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: 8 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -493.074793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.074793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.074793 (E_RNA) where: Base-Base interactions energy: -234.851 where: short stacking energy: -144.383 Base-Backbone interact. energy: -0.951 local terms energy: -257.273185 where: bonds (distance) C4'-P energy: -87.126 bonds (distance) P-C4' energy: -56.776 flat angles C4'-P-C4' energy: -70.352 flat angles P-C4'-P energy: -45.864 tors. eta vs tors. theta energy: 2.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1522.791746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.791746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.791746 (E_RNA) where: Base-Base interactions energy: -1030.828 where: short stacking energy: -454.296 Base-Backbone interact. energy: -2.637 local terms energy: -489.326502 where: bonds (distance) C4'-P energy: -92.493 bonds (distance) P-C4' energy: -88.653 flat angles C4'-P-C4' energy: -102.932 flat angles P-C4'-P energy: -73.855 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: 2, replica: 5 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1409.037037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.037037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.037037 (E_RNA) where: Base-Base interactions energy: -907.839 where: short stacking energy: -447.604 Base-Backbone interact. energy: -1.192 local terms energy: -500.005428 where: bonds (distance) C4'-P energy: -93.674 bonds (distance) P-C4' energy: -94.999 flat angles C4'-P-C4' energy: -103.495 flat angles P-C4'-P energy: -68.703 tors. eta vs tors. theta energy: -139.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1343.265482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.265482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.265482 (E_RNA) where: Base-Base interactions energy: -884.584 where: short stacking energy: -399.497 Base-Backbone interact. energy: -0.976 local terms energy: -457.705845 where: bonds (distance) C4'-P energy: -88.972 bonds (distance) P-C4' energy: -93.514 flat angles C4'-P-C4' energy: -103.267 flat angles P-C4'-P energy: -60.404 tors. eta vs tors. theta energy: -111.549 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: 10 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1228.944036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.944036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.944036 (E_RNA) where: Base-Base interactions energy: -803.343 where: short stacking energy: -358.670 Base-Backbone interact. energy: -1.855 local terms energy: -423.746568 where: bonds (distance) C4'-P energy: -81.651 bonds (distance) P-C4' energy: -85.492 flat angles C4'-P-C4' energy: -93.442 flat angles P-C4'-P energy: -66.563 tors. eta vs tors. theta energy: -96.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1140.061358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.061358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.061358 (E_RNA) where: Base-Base interactions energy: -722.412 where: short stacking energy: -305.878 Base-Backbone interact. energy: 0.613 local terms energy: -418.262359 where: bonds (distance) C4'-P energy: -89.459 bonds (distance) P-C4' energy: -96.263 flat angles C4'-P-C4' energy: -89.907 flat angles P-C4'-P energy: -68.852 tors. eta vs tors. theta energy: -73.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -926.342615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.342615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.342615 (E_RNA) where: Base-Base interactions energy: -559.864 where: short stacking energy: -301.675 Base-Backbone interact. energy: 0.697 local terms energy: -367.175750 where: bonds (distance) C4'-P energy: -83.491 bonds (distance) P-C4' energy: -69.421 flat angles C4'-P-C4' energy: -88.626 flat angles P-C4'-P energy: -55.789 tors. eta vs tors. theta energy: -69.848 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: 7, replica: 6 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -975.857130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.857130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.857130 (E_RNA) where: Base-Base interactions energy: -623.081 where: short stacking energy: -278.964 Base-Backbone interact. energy: -1.355 local terms energy: -351.420667 where: bonds (distance) C4'-P energy: -78.599 bonds (distance) P-C4' energy: -81.329 flat angles C4'-P-C4' energy: -87.271 flat angles P-C4'-P energy: -43.196 tors. eta vs tors. theta energy: -61.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -663.722986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.722986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.722986 (E_RNA) where: Base-Base interactions energy: -362.594 where: short stacking energy: -184.543 Base-Backbone interact. energy: -1.997 local terms energy: -299.131951 where: bonds (distance) C4'-P energy: -76.433 bonds (distance) P-C4' energy: -96.733 flat angles C4'-P-C4' energy: -71.965 flat angles P-C4'-P energy: -44.959 tors. eta vs tors. theta energy: -9.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -550.077365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.077365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.077365 (E_RNA) where: Base-Base interactions energy: -246.852 where: short stacking energy: -156.045 Base-Backbone interact. energy: -1.977 local terms energy: -301.248131 where: bonds (distance) C4'-P energy: -88.113 bonds (distance) P-C4' energy: -81.897 flat angles C4'-P-C4' energy: -77.073 flat angles P-C4'-P energy: -44.230 tors. eta vs tors. theta energy: -9.935 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: 8 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -498.461639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.461639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.461639 (E_RNA) where: Base-Base interactions energy: -227.456 where: short stacking energy: -135.333 Base-Backbone interact. energy: 3.524 local terms energy: -274.528951 where: bonds (distance) C4'-P energy: -82.588 bonds (distance) P-C4' energy: -77.501 flat angles C4'-P-C4' energy: -69.816 flat angles P-C4'-P energy: -50.799 tors. eta vs tors. theta energy: 6.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1529.415705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.415705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.415705 (E_RNA) where: Base-Base interactions energy: -1009.601 where: short stacking energy: -485.069 Base-Backbone interact. energy: -0.478 local terms energy: -519.336887 where: bonds (distance) C4'-P energy: -107.079 bonds (distance) P-C4' energy: -97.903 flat angles C4'-P-C4' energy: -103.938 flat angles P-C4'-P energy: -73.644 tors. eta vs tors. theta energy: -136.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1413.060278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.060278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.060278 (E_RNA) where: Base-Base interactions energy: -945.132 where: short stacking energy: -428.037 Base-Backbone interact. energy: -1.334 local terms energy: -466.594192 where: bonds (distance) C4'-P energy: -82.557 bonds (distance) P-C4' energy: -97.209 flat angles C4'-P-C4' energy: -101.367 flat angles P-C4'-P energy: -55.596 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: 2 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1392.663927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.663927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.663927 (E_RNA) where: Base-Base interactions energy: -907.289 where: short stacking energy: -405.927 Base-Backbone interact. energy: 0.569 local terms energy: -485.943762 where: bonds (distance) C4'-P energy: -96.949 bonds (distance) P-C4' energy: -90.141 flat angles C4'-P-C4' energy: -105.981 flat angles P-C4'-P energy: -70.482 tors. eta vs tors. theta energy: -122.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -1210.641040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.641040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.641040 (E_RNA) where: Base-Base interactions energy: -781.561 where: short stacking energy: -352.556 Base-Backbone interact. energy: 1.628 local terms energy: -430.707524 where: bonds (distance) C4'-P energy: -92.983 bonds (distance) P-C4' energy: -90.030 flat angles C4'-P-C4' energy: -95.913 flat angles P-C4'-P energy: -67.434 tors. eta vs tors. theta energy: -84.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -1134.007796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.007796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.007796 (E_RNA) where: Base-Base interactions energy: -731.635 where: short stacking energy: -342.280 Base-Backbone interact. energy: -0.433 local terms energy: -401.939823 where: bonds (distance) C4'-P energy: -92.001 bonds (distance) P-C4' energy: -83.151 flat angles C4'-P-C4' energy: -93.851 flat angles P-C4'-P energy: -50.241 tors. eta vs tors. theta energy: -82.696 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: 1 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -967.439275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.439275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.439275 (E_RNA) where: Base-Base interactions energy: -603.340 where: short stacking energy: -277.801 Base-Backbone interact. energy: -4.732 local terms energy: -359.366994 where: bonds (distance) C4'-P energy: -77.836 bonds (distance) P-C4' energy: -91.906 flat angles C4'-P-C4' energy: -90.944 flat angles P-C4'-P energy: -47.484 tors. eta vs tors. theta energy: -51.196 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: 6 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -952.402135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.402135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.402135 (E_RNA) where: Base-Base interactions energy: -573.374 where: short stacking energy: -274.212 Base-Backbone interact. energy: -0.327 local terms energy: -378.701463 where: bonds (distance) C4'-P energy: -83.402 bonds (distance) P-C4' energy: -101.354 flat angles C4'-P-C4' energy: -95.128 flat angles P-C4'-P energy: -40.961 tors. eta vs tors. theta energy: -57.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -613.302765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.302765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.302765 (E_RNA) where: Base-Base interactions energy: -298.422 where: short stacking energy: -176.540 Base-Backbone interact. energy: -1.012 local terms energy: -313.868135 where: bonds (distance) C4'-P energy: -76.850 bonds (distance) P-C4' energy: -94.932 flat angles C4'-P-C4' energy: -87.869 flat angles P-C4'-P energy: -41.392 tors. eta vs tors. theta energy: -12.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -544.949464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.949464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.949464 (E_RNA) where: Base-Base interactions energy: -251.434 where: short stacking energy: -152.031 Base-Backbone interact. energy: -1.137 local terms energy: -292.379272 where: bonds (distance) C4'-P energy: -82.139 bonds (distance) P-C4' energy: -95.565 flat angles C4'-P-C4' energy: -75.040 flat angles P-C4'-P energy: -48.052 tors. eta vs tors. theta energy: 8.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -474.747695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.747695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.747695 (E_RNA) where: Base-Base interactions energy: -255.018 where: short stacking energy: -148.139 Base-Backbone interact. energy: 1.438 local terms energy: -221.167151 where: bonds (distance) C4'-P energy: -75.238 bonds (distance) P-C4' energy: -68.057 flat angles C4'-P-C4' energy: -66.915 flat angles P-C4'-P energy: -29.799 tors. eta vs tors. theta energy: 18.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1514.424095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.424095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.424095 (E_RNA) where: Base-Base interactions energy: -1008.772 where: short stacking energy: -473.742 Base-Backbone interact. energy: -1.855 local terms energy: -503.797043 where: bonds (distance) C4'-P energy: -104.073 bonds (distance) P-C4' energy: -90.099 flat angles C4'-P-C4' energy: -107.853 flat angles P-C4'-P energy: -72.256 tors. eta vs tors. theta energy: -129.516 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: 5 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1414.276114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.276114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.276114 (E_RNA) where: Base-Base interactions energy: -927.229 where: short stacking energy: -423.933 Base-Backbone interact. energy: -2.461 local terms energy: -484.587017 where: bonds (distance) C4'-P energy: -99.061 bonds (distance) P-C4' energy: -87.819 flat angles C4'-P-C4' energy: -98.533 flat angles P-C4'-P energy: -71.268 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: 3, replica: 2 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1339.080339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.080339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.080339 (E_RNA) where: Base-Base interactions energy: -871.214 where: short stacking energy: -397.840 Base-Backbone interact. energy: -2.238 local terms energy: -465.628176 where: bonds (distance) C4'-P energy: -94.232 bonds (distance) P-C4' energy: -88.235 flat angles C4'-P-C4' energy: -103.812 flat angles P-C4'-P energy: -63.783 tors. eta vs tors. theta energy: -115.565 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: 10 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -1219.293308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.293308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.293308 (E_RNA) where: Base-Base interactions energy: -824.549 where: short stacking energy: -355.289 Base-Backbone interact. energy: -1.709 local terms energy: -393.035567 where: bonds (distance) C4'-P energy: -77.903 bonds (distance) P-C4' energy: -84.069 flat angles C4'-P-C4' energy: -95.648 flat angles P-C4'-P energy: -47.556 tors. eta vs tors. theta energy: -87.859 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: 7 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -1110.126040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.126040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.126040 (E_RNA) where: Base-Base interactions energy: -722.245 where: short stacking energy: -335.635 Base-Backbone interact. energy: 0.482 local terms energy: -388.363200 where: bonds (distance) C4'-P energy: -80.099 bonds (distance) P-C4' energy: -85.739 flat angles C4'-P-C4' energy: -89.538 flat angles P-C4'-P energy: -63.787 tors. eta vs tors. theta energy: -69.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1028.794865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.794865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.794865 (E_RNA) where: Base-Base interactions energy: -647.168 where: short stacking energy: -299.831 Base-Backbone interact. energy: -1.475 local terms energy: -380.151428 where: bonds (distance) C4'-P energy: -93.590 bonds (distance) P-C4' energy: -77.492 flat angles C4'-P-C4' energy: -91.810 flat angles P-C4'-P energy: -49.265 tors. eta vs tors. theta energy: -67.994 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: 7, replica: 1 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -934.378085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.378085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.378085 (E_RNA) where: Base-Base interactions energy: -582.041 where: short stacking energy: -287.784 Base-Backbone interact. energy: -2.779 local terms energy: -349.557878 where: bonds (distance) C4'-P energy: -84.722 bonds (distance) P-C4' energy: -80.881 flat angles C4'-P-C4' energy: -81.324 flat angles P-C4'-P energy: -50.886 tors. eta vs tors. theta energy: -51.745 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: 3 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -585.902879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.902879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.902879 (E_RNA) where: Base-Base interactions energy: -276.981 where: short stacking energy: -166.153 Base-Backbone interact. energy: 1.352 local terms energy: -310.274082 where: bonds (distance) C4'-P energy: -67.975 bonds (distance) P-C4' energy: -92.881 flat angles C4'-P-C4' energy: -89.090 flat angles P-C4'-P energy: -50.121 tors. eta vs tors. theta energy: -10.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -548.201475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.201475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.201475 (E_RNA) where: Base-Base interactions energy: -250.620 where: short stacking energy: -151.972 Base-Backbone interact. energy: -0.781 local terms energy: -296.799929 where: bonds (distance) C4'-P energy: -82.022 bonds (distance) P-C4' energy: -80.258 flat angles C4'-P-C4' energy: -75.312 flat angles P-C4'-P energy: -50.980 tors. eta vs tors. theta energy: -8.228 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: 10, replica: 8 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -467.324287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.324287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.324287 (E_RNA) where: Base-Base interactions energy: -222.815 where: short stacking energy: -120.426 Base-Backbone interact. energy: -2.566 local terms energy: -241.943938 where: bonds (distance) C4'-P energy: -67.028 bonds (distance) P-C4' energy: -87.494 flat angles C4'-P-C4' energy: -69.589 flat angles P-C4'-P energy: -28.434 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: 1, replica: 9 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1517.649278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.649278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.649278 (E_RNA) where: Base-Base interactions energy: -1013.926 where: short stacking energy: -439.029 Base-Backbone interact. energy: -2.885 local terms energy: -500.837990 where: bonds (distance) C4'-P energy: -95.206 bonds (distance) P-C4' energy: -103.821 flat angles C4'-P-C4' energy: -107.248 flat angles P-C4'-P energy: -67.029 tors. eta vs tors. theta energy: -127.534 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: 2, replica: 5 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1386.468618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.468618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.468618 (E_RNA) where: Base-Base interactions energy: -903.626 where: short stacking energy: -424.802 Base-Backbone interact. energy: 0.649 local terms energy: -483.491126 where: bonds (distance) C4'-P energy: -97.460 bonds (distance) P-C4' energy: -91.404 flat angles C4'-P-C4' energy: -100.470 flat angles P-C4'-P energy: -70.198 tors. eta vs tors. theta energy: -123.959 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: 2 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1344.402246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.402246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.402246 (E_RNA) where: Base-Base interactions energy: -876.697 where: short stacking energy: -399.786 Base-Backbone interact. energy: 3.185 local terms energy: -470.889403 where: bonds (distance) C4'-P energy: -87.638 bonds (distance) P-C4' energy: -90.264 flat angles C4'-P-C4' energy: -103.234 flat angles P-C4'-P energy: -63.940 tors. eta vs tors. theta energy: -125.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -1224.140736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.140736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.140736 (E_RNA) where: Base-Base interactions energy: -778.653 where: short stacking energy: -364.515 Base-Backbone interact. energy: -3.424 local terms energy: -442.064238 where: bonds (distance) C4'-P energy: -95.968 bonds (distance) P-C4' energy: -89.498 flat angles C4'-P-C4' energy: -98.218 flat angles P-C4'-P energy: -59.949 tors. eta vs tors. theta energy: -98.431 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: 6 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -1048.318715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.318715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.318715 (E_RNA) where: Base-Base interactions energy: -672.200 where: short stacking energy: -307.673 Base-Backbone interact. energy: 3.126 local terms energy: -379.245072 where: bonds (distance) C4'-P energy: -77.073 bonds (distance) P-C4' energy: -82.618 flat angles C4'-P-C4' energy: -80.773 flat angles P-C4'-P energy: -68.789 tors. eta vs tors. theta energy: -69.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -1049.564991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.564991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.564991 (E_RNA) where: Base-Base interactions energy: -673.160 where: short stacking energy: -295.007 Base-Backbone interact. energy: -1.842 local terms energy: -374.562939 where: bonds (distance) C4'-P energy: -83.512 bonds (distance) P-C4' energy: -84.391 flat angles C4'-P-C4' energy: -90.549 flat angles P-C4'-P energy: -62.492 tors. eta vs tors. theta energy: -53.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -896.391855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.391855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.391855 (E_RNA) where: Base-Base interactions energy: -558.644 where: short stacking energy: -270.172 Base-Backbone interact. energy: -1.194 local terms energy: -336.553794 where: bonds (distance) C4'-P energy: -83.136 bonds (distance) P-C4' energy: -87.011 flat angles C4'-P-C4' energy: -67.347 flat angles P-C4'-P energy: -41.635 tors. eta vs tors. theta energy: -57.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -568.224636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.224636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.224636 (E_RNA) where: Base-Base interactions energy: -280.445 where: short stacking energy: -165.876 Base-Backbone interact. energy: -0.864 local terms energy: -286.915786 where: bonds (distance) C4'-P energy: -81.384 bonds (distance) P-C4' energy: -80.071 flat angles C4'-P-C4' energy: -67.245 flat angles P-C4'-P energy: -49.026 tors. eta vs tors. theta energy: -9.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -575.418784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.418784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.418784 (E_RNA) where: Base-Base interactions energy: -296.833 where: short stacking energy: -165.439 Base-Backbone interact. energy: 1.089 local terms energy: -279.674621 where: bonds (distance) C4'-P energy: -72.508 bonds (distance) P-C4' energy: -87.425 flat angles C4'-P-C4' energy: -80.776 flat angles P-C4'-P energy: -40.933 tors. eta vs tors. theta energy: 1.967 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: 8 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -492.891125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.891125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.891125 (E_RNA) where: Base-Base interactions energy: -203.415 where: short stacking energy: -108.738 Base-Backbone interact. energy: -4.233 local terms energy: -285.243264 where: bonds (distance) C4'-P energy: -86.973 bonds (distance) P-C4' energy: -93.576 flat angles C4'-P-C4' energy: -72.106 flat angles P-C4'-P energy: -39.408 tors. eta vs tors. theta energy: 6.819 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: 9 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1516.843884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.843884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.843884 (E_RNA) where: Base-Base interactions energy: -1018.509 where: short stacking energy: -479.430 Base-Backbone interact. energy: -2.096 local terms energy: -496.239049 where: bonds (distance) C4'-P energy: -92.944 bonds (distance) P-C4' energy: -108.377 flat angles C4'-P-C4' energy: -99.318 flat angles P-C4'-P energy: -66.596 tors. eta vs tors. theta energy: -129.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1356.845800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.845800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.845800 (E_RNA) where: Base-Base interactions energy: -892.572 where: short stacking energy: -418.894 Base-Backbone interact. energy: -1.373 local terms energy: -462.901384 where: bonds (distance) C4'-P energy: -86.962 bonds (distance) P-C4' energy: -91.233 flat angles C4'-P-C4' energy: -106.215 flat angles P-C4'-P energy: -68.271 tors. eta vs tors. theta energy: -110.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1291.562277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.562277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.562277 (E_RNA) where: Base-Base interactions energy: -850.853 where: short stacking energy: -386.601 Base-Backbone interact. energy: -1.146 local terms energy: -439.563068 where: bonds (distance) C4'-P energy: -89.301 bonds (distance) P-C4' energy: -90.704 flat angles C4'-P-C4' energy: -95.420 flat angles P-C4'-P energy: -58.691 tors. eta vs tors. theta energy: -105.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -1235.373502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.373502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.373502 (E_RNA) where: Base-Base interactions energy: -812.612 where: short stacking energy: -361.120 Base-Backbone interact. energy: -3.836 local terms energy: -418.925380 where: bonds (distance) C4'-P energy: -80.460 bonds (distance) P-C4' energy: -91.522 flat angles C4'-P-C4' energy: -96.463 flat angles P-C4'-P energy: -60.552 tors. eta vs tors. theta energy: -89.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -1086.997391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.997391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.997391 (E_RNA) where: Base-Base interactions energy: -701.621 where: short stacking energy: -324.467 Base-Backbone interact. energy: -3.158 local terms energy: -382.217803 where: bonds (distance) C4'-P energy: -77.384 bonds (distance) P-C4' energy: -95.967 flat angles C4'-P-C4' energy: -86.551 flat angles P-C4'-P energy: -46.400 tors. eta vs tors. theta energy: -75.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -1039.206616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.206616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.206616 (E_RNA) where: Base-Base interactions energy: -659.504 where: short stacking energy: -315.621 Base-Backbone interact. energy: -2.837 local terms energy: -376.865609 where: bonds (distance) C4'-P energy: -72.596 bonds (distance) P-C4' energy: -90.813 flat angles C4'-P-C4' energy: -88.461 flat angles P-C4'-P energy: -57.753 tors. eta vs tors. theta energy: -67.243 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: 1 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -937.941929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.941929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.941929 (E_RNA) where: Base-Base interactions energy: -582.826 where: short stacking energy: -250.048 Base-Backbone interact. energy: -4.140 local terms energy: -350.976567 where: bonds (distance) C4'-P energy: -78.302 bonds (distance) P-C4' energy: -88.054 flat angles C4'-P-C4' energy: -81.906 flat angles P-C4'-P energy: -44.530 tors. eta vs tors. theta energy: -58.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -621.974872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.974872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.974872 (E_RNA) where: Base-Base interactions energy: -314.564 where: short stacking energy: -181.746 Base-Backbone interact. energy: -0.556 local terms energy: -306.854305 where: bonds (distance) C4'-P energy: -77.107 bonds (distance) P-C4' energy: -82.704 flat angles C4'-P-C4' energy: -80.776 flat angles P-C4'-P energy: -48.890 tors. eta vs tors. theta energy: -17.377 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: 3 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -572.256779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.256779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.256779 (E_RNA) where: Base-Base interactions energy: -310.982 where: short stacking energy: -183.177 Base-Backbone interact. energy: 0.121 local terms energy: -261.395882 where: bonds (distance) C4'-P energy: -59.400 bonds (distance) P-C4' energy: -88.466 flat angles C4'-P-C4' energy: -59.278 flat angles P-C4'-P energy: -46.401 tors. eta vs tors. theta energy: -7.851 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: 8 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -472.244160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.244160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.244160 (E_RNA) where: Base-Base interactions energy: -231.254 where: short stacking energy: -136.749 Base-Backbone interact. energy: 0.910 local terms energy: -241.900338 where: bonds (distance) C4'-P energy: -67.571 bonds (distance) P-C4' energy: -84.336 flat angles C4'-P-C4' energy: -61.867 flat angles P-C4'-P energy: -34.951 tors. eta vs tors. theta energy: 6.825 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: 9 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1477.014550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.014550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.014550 (E_RNA) where: Base-Base interactions energy: -991.819 where: short stacking energy: -458.107 Base-Backbone interact. energy: -2.083 local terms energy: -483.112858 where: bonds (distance) C4'-P energy: -87.698 bonds (distance) P-C4' energy: -102.656 flat angles C4'-P-C4' energy: -100.533 flat angles P-C4'-P energy: -65.499 tors. eta vs tors. theta energy: -126.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1398.694905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.694905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.694905 (E_RNA) where: Base-Base interactions energy: -896.991 where: short stacking energy: -405.613 Base-Backbone interact. energy: -2.840 local terms energy: -498.863959 where: bonds (distance) C4'-P energy: -101.635 bonds (distance) P-C4' energy: -87.364 flat angles C4'-P-C4' energy: -107.048 flat angles P-C4'-P energy: -77.746 tors. eta vs tors. theta energy: -125.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1328.460342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.460342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.460342 (E_RNA) where: Base-Base interactions energy: -867.092 where: short stacking energy: -394.015 Base-Backbone interact. energy: -1.708 local terms energy: -459.659994 where: bonds (distance) C4'-P energy: -92.678 bonds (distance) P-C4' energy: -103.577 flat angles C4'-P-C4' energy: -87.681 flat angles P-C4'-P energy: -65.212 tors. eta vs tors. theta energy: -110.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -1248.251925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.251925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.251925 (E_RNA) where: Base-Base interactions energy: -808.208 where: short stacking energy: -336.993 Base-Backbone interact. energy: -1.763 local terms energy: -438.281071 where: bonds (distance) C4'-P energy: -84.959 bonds (distance) P-C4' energy: -100.359 flat angles C4'-P-C4' energy: -106.017 flat angles P-C4'-P energy: -60.358 tors. eta vs tors. theta energy: -86.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -1115.742856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.742856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.742856 (E_RNA) where: Base-Base interactions energy: -704.653 where: short stacking energy: -320.926 Base-Backbone interact. energy: -3.136 local terms energy: -407.953433 where: bonds (distance) C4'-P energy: -87.963 bonds (distance) P-C4' energy: -99.367 flat angles C4'-P-C4' energy: -100.468 flat angles P-C4'-P energy: -51.287 tors. eta vs tors. theta energy: -68.868 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: 6 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -1036.974223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.974223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.974223 (E_RNA) where: Base-Base interactions energy: -668.771 where: short stacking energy: -323.370 Base-Backbone interact. energy: 5.108 local terms energy: -373.311622 where: bonds (distance) C4'-P energy: -83.729 bonds (distance) P-C4' energy: -91.997 flat angles C4'-P-C4' energy: -87.122 flat angles P-C4'-P energy: -42.465 tors. eta vs tors. theta energy: -67.999 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: 450 Temperature: 1.200000 Total energy: -959.524143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.524143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.524143 (E_RNA) where: Base-Base interactions energy: -584.926 where: short stacking energy: -265.047 Base-Backbone interact. energy: 0.000 local terms energy: -374.597947 where: bonds (distance) C4'-P energy: -81.692 bonds (distance) P-C4' energy: -89.218 flat angles C4'-P-C4' energy: -82.955 flat angles P-C4'-P energy: -61.910 tors. eta vs tors. theta energy: -58.823 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: 450 Temperature: 1.250000 Total energy: -629.478474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.478474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.478474 (E_RNA) where: Base-Base interactions energy: -343.149 where: short stacking energy: -195.535 Base-Backbone interact. energy: 2.906 local terms energy: -289.236112 where: bonds (distance) C4'-P energy: -60.866 bonds (distance) P-C4' energy: -72.658 flat angles C4'-P-C4' energy: -84.392 flat angles P-C4'-P energy: -53.416 tors. eta vs tors. theta energy: -17.905 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: 8 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -541.978609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.978609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.978609 (E_RNA) where: Base-Base interactions energy: -246.361 where: short stacking energy: -142.354 Base-Backbone interact. energy: -1.400 local terms energy: -294.217716 where: bonds (distance) C4'-P energy: -74.097 bonds (distance) P-C4' energy: -89.654 flat angles C4'-P-C4' energy: -68.082 flat angles P-C4'-P energy: -49.862 tors. eta vs tors. theta energy: -12.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -518.561075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.561075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.561075 (E_RNA) where: Base-Base interactions energy: -228.406 where: short stacking energy: -134.835 Base-Backbone interact. energy: 4.328 local terms energy: -294.483305 where: bonds (distance) C4'-P energy: -75.824 bonds (distance) P-C4' energy: -88.629 flat angles C4'-P-C4' energy: -73.338 flat angles P-C4'-P energy: -58.855 tors. eta vs tors. theta energy: 2.163 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: 9 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1508.689200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.689200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.689200 (E_RNA) where: Base-Base interactions energy: -1008.132 where: short stacking energy: -455.465 Base-Backbone interact. energy: -2.029 local terms energy: -498.527441 where: bonds (distance) C4'-P energy: -99.675 bonds (distance) P-C4' energy: -97.489 flat angles C4'-P-C4' energy: -106.839 flat angles P-C4'-P energy: -64.953 tors. eta vs tors. theta energy: -129.572 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: 2 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1398.285304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.285304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.285304 (E_RNA) where: Base-Base interactions energy: -940.436 where: short stacking energy: -414.544 Base-Backbone interact. energy: -2.702 local terms energy: -455.147256 where: bonds (distance) C4'-P energy: -83.171 bonds (distance) P-C4' energy: -85.891 flat angles C4'-P-C4' energy: -90.585 flat angles P-C4'-P energy: -68.656 tors. eta vs tors. theta energy: -126.845 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: 3, replica: 5 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1331.214734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.214734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.214734 (E_RNA) where: Base-Base interactions energy: -872.028 where: short stacking energy: -404.717 Base-Backbone interact. energy: -1.448 local terms energy: -457.738395 where: bonds (distance) C4'-P energy: -96.170 bonds (distance) P-C4' energy: -85.676 flat angles C4'-P-C4' energy: -102.709 flat angles P-C4'-P energy: -56.980 tors. eta vs tors. theta energy: -116.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -1236.084192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.084192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.084192 (E_RNA) where: Base-Base interactions energy: -798.272 where: short stacking energy: -365.435 Base-Backbone interact. energy: 0.041 local terms energy: -437.853681 where: bonds (distance) C4'-P energy: -96.114 bonds (distance) P-C4' energy: -91.307 flat angles C4'-P-C4' energy: -88.709 flat angles P-C4'-P energy: -59.146 tors. eta vs tors. theta energy: -102.577 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: 7 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -1117.775009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.775009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.775009 (E_RNA) where: Base-Base interactions energy: -714.787 where: short stacking energy: -321.824 Base-Backbone interact. energy: -2.904 local terms energy: -400.084029 where: bonds (distance) C4'-P energy: -72.448 bonds (distance) P-C4' energy: -78.221 flat angles C4'-P-C4' energy: -105.495 flat angles P-C4'-P energy: -61.865 tors. eta vs tors. theta energy: -82.055 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: 1 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -1018.302919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.302919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.302919 (E_RNA) where: Base-Base interactions energy: -625.861 where: short stacking energy: -296.155 Base-Backbone interact. energy: -1.660 local terms energy: -390.781848 where: bonds (distance) C4'-P energy: -75.180 bonds (distance) P-C4' energy: -94.627 flat angles C4'-P-C4' energy: -93.038 flat angles P-C4'-P energy: -60.555 tors. eta vs tors. theta energy: -67.382 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: 6 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -964.926727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.926727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.926727 (E_RNA) where: Base-Base interactions energy: -623.950 where: short stacking energy: -273.874 Base-Backbone interact. energy: 0.487 local terms energy: -341.462778 where: bonds (distance) C4'-P energy: -82.059 bonds (distance) P-C4' energy: -81.678 flat angles C4'-P-C4' energy: -82.062 flat angles P-C4'-P energy: -38.612 tors. eta vs tors. theta energy: -57.052 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: 8, replica: 4 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -600.487196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.487196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.487196 (E_RNA) where: Base-Base interactions energy: -303.115 where: short stacking energy: -194.428 Base-Backbone interact. energy: -1.259 local terms energy: -296.113075 where: bonds (distance) C4'-P energy: -77.824 bonds (distance) P-C4' energy: -91.987 flat angles C4'-P-C4' energy: -71.856 flat angles P-C4'-P energy: -50.953 tors. eta vs tors. theta energy: -3.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -561.287674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.287674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.287674 (E_RNA) where: Base-Base interactions energy: -254.303 where: short stacking energy: -163.513 Base-Backbone interact. energy: -1.879 local terms energy: -305.105149 where: bonds (distance) C4'-P energy: -73.073 bonds (distance) P-C4' energy: -96.501 flat angles C4'-P-C4' energy: -78.578 flat angles P-C4'-P energy: -49.301 tors. eta vs tors. theta energy: -7.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -505.099445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.099445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.099445 (E_RNA) where: Base-Base interactions energy: -243.616 where: short stacking energy: -142.407 Base-Backbone interact. energy: -2.603 local terms energy: -258.880229 where: bonds (distance) C4'-P energy: -84.028 bonds (distance) P-C4' energy: -86.417 flat angles C4'-P-C4' energy: -53.831 flat angles P-C4'-P energy: -38.147 tors. eta vs tors. theta energy: 3.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1524.389214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.389214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.389214 (E_RNA) where: Base-Base interactions energy: -997.011 where: short stacking energy: -462.521 Base-Backbone interact. energy: -0.959 local terms energy: -526.418628 where: bonds (distance) C4'-P energy: -96.871 bonds (distance) P-C4' energy: -101.266 flat angles C4'-P-C4' energy: -113.572 flat angles P-C4'-P energy: -80.898 tors. eta vs tors. theta energy: -133.812 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: 2, replica: 2 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1383.140648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.140648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.140648 (E_RNA) where: Base-Base interactions energy: -901.424 where: short stacking energy: -398.366 Base-Backbone interact. energy: -1.211 local terms energy: -480.506148 where: bonds (distance) C4'-P energy: -98.352 bonds (distance) P-C4' energy: -94.530 flat angles C4'-P-C4' energy: -95.393 flat angles P-C4'-P energy: -78.622 tors. eta vs tors. theta energy: -113.610 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: 5 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1338.001926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.001926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.001926 (E_RNA) where: Base-Base interactions energy: -872.590 where: short stacking energy: -411.404 Base-Backbone interact. energy: 2.613 local terms energy: -468.025759 where: bonds (distance) C4'-P energy: -90.895 bonds (distance) P-C4' energy: -100.812 flat angles C4'-P-C4' energy: -89.847 flat angles P-C4'-P energy: -64.627 tors. eta vs tors. theta energy: -121.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -1201.657184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.657184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.657184 (E_RNA) where: Base-Base interactions energy: -774.777 where: short stacking energy: -353.712 Base-Backbone interact. energy: -1.854 local terms energy: -425.026517 where: bonds (distance) C4'-P energy: -78.057 bonds (distance) P-C4' energy: -81.535 flat angles C4'-P-C4' energy: -101.846 flat angles P-C4'-P energy: -59.365 tors. eta vs tors. theta energy: -104.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -1138.200262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.200262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.200262 (E_RNA) where: Base-Base interactions energy: -740.499 where: short stacking energy: -333.293 Base-Backbone interact. energy: -2.326 local terms energy: -395.375349 where: bonds (distance) C4'-P energy: -76.196 bonds (distance) P-C4' energy: -96.081 flat angles C4'-P-C4' energy: -91.316 flat angles P-C4'-P energy: -54.196 tors. eta vs tors. theta energy: -77.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -1012.096681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.096681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.096681 (E_RNA) where: Base-Base interactions energy: -640.270 where: short stacking energy: -272.378 Base-Backbone interact. energy: -0.549 local terms energy: -371.277449 where: bonds (distance) C4'-P energy: -96.173 bonds (distance) P-C4' energy: -90.589 flat angles C4'-P-C4' energy: -86.739 flat angles P-C4'-P energy: -57.180 tors. eta vs tors. theta energy: -40.597 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: 6 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -929.785309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.785309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.785309 (E_RNA) where: Base-Base interactions energy: -598.161 where: short stacking energy: -266.067 Base-Backbone interact. energy: -2.077 local terms energy: -329.547626 where: bonds (distance) C4'-P energy: -73.224 bonds (distance) P-C4' energy: -78.023 flat angles C4'-P-C4' energy: -73.612 flat angles P-C4'-P energy: -48.082 tors. eta vs tors. theta energy: -56.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -574.805270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.805270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.805270 (E_RNA) where: Base-Base interactions energy: -289.141 where: short stacking energy: -146.397 Base-Backbone interact. energy: -0.058 local terms energy: -285.605593 where: bonds (distance) C4'-P energy: -86.329 bonds (distance) P-C4' energy: -78.718 flat angles C4'-P-C4' energy: -71.208 flat angles P-C4'-P energy: -54.587 tors. eta vs tors. theta energy: 5.236 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: 8 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -538.579082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.579082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.579082 (E_RNA) where: Base-Base interactions energy: -255.898 where: short stacking energy: -152.232 Base-Backbone interact. energy: -2.703 local terms energy: -279.978398 where: bonds (distance) C4'-P energy: -87.237 bonds (distance) P-C4' energy: -73.649 flat angles C4'-P-C4' energy: -85.250 flat angles P-C4'-P energy: -36.589 tors. eta vs tors. theta energy: 2.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -510.521402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.521402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.521402 (E_RNA) where: Base-Base interactions energy: -235.732 where: short stacking energy: -142.265 Base-Backbone interact. energy: 1.044 local terms energy: -275.833670 where: bonds (distance) C4'-P energy: -80.865 bonds (distance) P-C4' energy: -73.454 flat angles C4'-P-C4' energy: -73.620 flat angles P-C4'-P energy: -44.578 tors. eta vs tors. theta energy: -3.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1505.738310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.738310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.738310 (E_RNA) where: Base-Base interactions energy: -998.256 where: short stacking energy: -473.044 Base-Backbone interact. energy: -1.817 local terms energy: -505.665081 where: bonds (distance) C4'-P energy: -95.934 bonds (distance) P-C4' energy: -94.600 flat angles C4'-P-C4' energy: -98.161 flat angles P-C4'-P energy: -81.188 tors. eta vs tors. theta energy: -135.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1397.240006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.240006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.240006 (E_RNA) where: Base-Base interactions energy: -904.061 where: short stacking energy: -432.017 Base-Backbone interact. energy: 1.095 local terms energy: -494.274243 where: bonds (distance) C4'-P energy: -91.248 bonds (distance) P-C4' energy: -97.341 flat angles C4'-P-C4' energy: -104.207 flat angles P-C4'-P energy: -69.932 tors. eta vs tors. theta energy: -131.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1337.294355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.294355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.294355 (E_RNA) where: Base-Base interactions energy: -874.731 where: short stacking energy: -409.978 Base-Backbone interact. energy: 0.407 local terms energy: -462.970402 where: bonds (distance) C4'-P energy: -91.655 bonds (distance) P-C4' energy: -98.013 flat angles C4'-P-C4' energy: -104.202 flat angles P-C4'-P energy: -58.954 tors. eta vs tors. theta energy: -110.147 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: 4, replica: 10 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -1267.938269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.938269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.938269 (E_RNA) where: Base-Base interactions energy: -791.993 where: short stacking energy: -383.764 Base-Backbone interact. energy: -0.514 local terms energy: -475.430838 where: bonds (distance) C4'-P energy: -96.753 bonds (distance) P-C4' energy: -101.309 flat angles C4'-P-C4' energy: -98.283 flat angles P-C4'-P energy: -74.686 tors. eta vs tors. theta energy: -104.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -1099.358835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.358835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.358835 (E_RNA) where: Base-Base interactions energy: -709.479 where: short stacking energy: -327.213 Base-Backbone interact. energy: -1.869 local terms energy: -388.010592 where: bonds (distance) C4'-P energy: -76.739 bonds (distance) P-C4' energy: -105.784 flat angles C4'-P-C4' energy: -83.716 flat angles P-C4'-P energy: -55.263 tors. eta vs tors. theta energy: -66.508 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: 1 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -1020.594547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.594547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.594547 (E_RNA) where: Base-Base interactions energy: -646.868 where: short stacking energy: -297.794 Base-Backbone interact. energy: -0.907 local terms energy: -372.819070 where: bonds (distance) C4'-P energy: -89.610 bonds (distance) P-C4' energy: -91.250 flat angles C4'-P-C4' energy: -74.665 flat angles P-C4'-P energy: -51.407 tors. eta vs tors. theta energy: -65.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -954.677404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.677404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.677404 (E_RNA) where: Base-Base interactions energy: -609.761 where: short stacking energy: -278.219 Base-Backbone interact. energy: 3.110 local terms energy: -348.025998 where: bonds (distance) C4'-P energy: -71.019 bonds (distance) P-C4' energy: -86.713 flat angles C4'-P-C4' energy: -81.984 flat angles P-C4'-P energy: -55.476 tors. eta vs tors. theta energy: -52.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -623.768293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.768293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.768293 (E_RNA) where: Base-Base interactions energy: -334.612 where: short stacking energy: -175.913 Base-Backbone interact. energy: -1.006 local terms energy: -288.151097 where: bonds (distance) C4'-P energy: -78.035 bonds (distance) P-C4' energy: -85.850 flat angles C4'-P-C4' energy: -68.995 flat angles P-C4'-P energy: -44.361 tors. eta vs tors. theta energy: -10.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -623.524908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.524908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.524908 (E_RNA) where: Base-Base interactions energy: -327.310 where: short stacking energy: -180.157 Base-Backbone interact. energy: -1.231 local terms energy: -294.983233 where: bonds (distance) C4'-P energy: -79.534 bonds (distance) P-C4' energy: -85.111 flat angles C4'-P-C4' energy: -69.010 flat angles P-C4'-P energy: -41.258 tors. eta vs tors. theta energy: -20.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -477.047320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.047320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.047320 (E_RNA) where: Base-Base interactions energy: -212.437 where: short stacking energy: -120.830 Base-Backbone interact. energy: 4.226 local terms energy: -268.836380 where: bonds (distance) C4'-P energy: -80.335 bonds (distance) P-C4' energy: -89.066 flat angles C4'-P-C4' energy: -74.647 flat angles P-C4'-P energy: -39.053 tors. eta vs tors. theta energy: 14.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1523.332753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.332753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.332753 (E_RNA) where: Base-Base interactions energy: -1038.787 where: short stacking energy: -474.297 Base-Backbone interact. energy: -2.141 local terms energy: -482.404313 where: bonds (distance) C4'-P energy: -94.842 bonds (distance) P-C4' energy: -90.242 flat angles C4'-P-C4' energy: -98.408 flat angles P-C4'-P energy: -70.605 tors. eta vs tors. theta energy: -128.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1398.232346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.232346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.232346 (E_RNA) where: Base-Base interactions energy: -920.607 where: short stacking energy: -409.102 Base-Backbone interact. energy: -3.684 local terms energy: -473.940971 where: bonds (distance) C4'-P energy: -100.469 bonds (distance) P-C4' energy: -94.562 flat angles C4'-P-C4' energy: -96.105 flat angles P-C4'-P energy: -58.120 tors. eta vs tors. theta energy: -124.685 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: 10 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1322.314711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.314711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.314711 (E_RNA) where: Base-Base interactions energy: -858.402 where: short stacking energy: -412.884 Base-Backbone interact. energy: -2.588 local terms energy: -461.324446 where: bonds (distance) C4'-P energy: -102.425 bonds (distance) P-C4' energy: -88.883 flat angles C4'-P-C4' energy: -101.789 flat angles P-C4'-P energy: -54.370 tors. eta vs tors. theta energy: -113.857 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: 5 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -1270.825329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.825329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.825329 (E_RNA) where: Base-Base interactions energy: -818.953 where: short stacking energy: -376.189 Base-Backbone interact. energy: -3.053 local terms energy: -448.819180 where: bonds (distance) C4'-P energy: -99.960 bonds (distance) P-C4' energy: -85.070 flat angles C4'-P-C4' energy: -88.051 flat angles P-C4'-P energy: -69.929 tors. eta vs tors. theta energy: -105.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -1139.089540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.089540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.089540 (E_RNA) where: Base-Base interactions energy: -733.721 where: short stacking energy: -351.406 Base-Backbone interact. energy: -2.727 local terms energy: -402.642034 where: bonds (distance) C4'-P energy: -90.740 bonds (distance) P-C4' energy: -73.991 flat angles C4'-P-C4' energy: -87.278 flat angles P-C4'-P energy: -59.779 tors. eta vs tors. theta energy: -90.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -1079.847414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.847414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.847414 (E_RNA) where: Base-Base interactions energy: -726.396 where: short stacking energy: -338.946 Base-Backbone interact. energy: -1.667 local terms energy: -351.784810 where: bonds (distance) C4'-P energy: -75.306 bonds (distance) P-C4' energy: -79.902 flat angles C4'-P-C4' energy: -92.372 flat angles P-C4'-P energy: -44.002 tors. eta vs tors. theta energy: -60.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -927.797635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.797635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.797635 (E_RNA) where: Base-Base interactions energy: -579.451 where: short stacking energy: -270.647 Base-Backbone interact. energy: -1.670 local terms energy: -346.676938 where: bonds (distance) C4'-P energy: -73.576 bonds (distance) P-C4' energy: -79.786 flat angles C4'-P-C4' energy: -85.508 flat angles P-C4'-P energy: -51.397 tors. eta vs tors. theta energy: -56.411 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: 8, replica: 4 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -626.237287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.237287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.237287 (E_RNA) where: Base-Base interactions energy: -326.179 where: short stacking energy: -178.146 Base-Backbone interact. energy: 4.674 local terms energy: -304.732214 where: bonds (distance) C4'-P energy: -86.621 bonds (distance) P-C4' energy: -80.097 flat angles C4'-P-C4' energy: -71.372 flat angles P-C4'-P energy: -55.713 tors. eta vs tors. theta energy: -10.929 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: 9, replica: 3 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -540.854963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.854963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.854963 (E_RNA) where: Base-Base interactions energy: -247.375 where: short stacking energy: -154.879 Base-Backbone interact. energy: 3.276 local terms energy: -296.755865 where: bonds (distance) C4'-P energy: -78.410 bonds (distance) P-C4' energy: -90.121 flat angles C4'-P-C4' energy: -72.081 flat angles P-C4'-P energy: -44.553 tors. eta vs tors. theta energy: -11.591 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: 8 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -503.827961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.827961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.827961 (E_RNA) where: Base-Base interactions energy: -226.100 where: short stacking energy: -126.569 Base-Backbone interact. energy: -1.879 local terms energy: -275.848934 where: bonds (distance) C4'-P energy: -84.154 bonds (distance) P-C4' energy: -80.052 flat angles C4'-P-C4' energy: -76.165 flat angles P-C4'-P energy: -32.148 tors. eta vs tors. theta energy: -3.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1531.624495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.624495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.624495 (E_RNA) where: Base-Base interactions energy: -1052.841 where: short stacking energy: -462.788 Base-Backbone interact. energy: 0.698 local terms energy: -479.481482 where: bonds (distance) C4'-P energy: -90.891 bonds (distance) P-C4' energy: -90.527 flat angles C4'-P-C4' energy: -106.443 flat angles P-C4'-P energy: -62.628 tors. eta vs tors. theta energy: -128.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1395.709377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.709377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.709377 (E_RNA) where: Base-Base interactions energy: -923.737 where: short stacking energy: -427.952 Base-Backbone interact. energy: -1.458 local terms energy: -470.514824 where: bonds (distance) C4'-P energy: -87.012 bonds (distance) P-C4' energy: -84.814 flat angles C4'-P-C4' energy: -105.779 flat angles P-C4'-P energy: -67.143 tors. eta vs tors. theta energy: -125.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1333.588070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.588070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.588070 (E_RNA) where: Base-Base interactions energy: -877.798 where: short stacking energy: -428.821 Base-Backbone interact. energy: -0.801 local terms energy: -454.989164 where: bonds (distance) C4'-P energy: -95.479 bonds (distance) P-C4' energy: -78.855 flat angles C4'-P-C4' energy: -107.326 flat angles P-C4'-P energy: -55.314 tors. eta vs tors. theta energy: -118.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -1259.636098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.636098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.636098 (E_RNA) where: Base-Base interactions energy: -812.406 where: short stacking energy: -381.899 Base-Backbone interact. energy: -0.953 local terms energy: -446.277575 where: bonds (distance) C4'-P energy: -78.781 bonds (distance) P-C4' energy: -97.570 flat angles C4'-P-C4' energy: -90.857 flat angles P-C4'-P energy: -70.316 tors. eta vs tors. theta energy: -108.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -1152.136542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.136542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.136542 (E_RNA) where: Base-Base interactions energy: -759.325 where: short stacking energy: -360.722 Base-Backbone interact. energy: -0.363 local terms energy: -392.448552 where: bonds (distance) C4'-P energy: -77.634 bonds (distance) P-C4' energy: -78.654 flat angles C4'-P-C4' energy: -94.534 flat angles P-C4'-P energy: -69.037 tors. eta vs tors. theta energy: -72.590 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: 1 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -1036.755981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.755981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.755981 (E_RNA) where: Base-Base interactions energy: -657.772 where: short stacking energy: -323.450 Base-Backbone interact. energy: -1.701 local terms energy: -377.282429 where: bonds (distance) C4'-P energy: -71.915 bonds (distance) P-C4' energy: -81.902 flat angles C4'-P-C4' energy: -97.362 flat angles P-C4'-P energy: -44.115 tors. eta vs tors. theta energy: -81.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -933.054921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.054921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.054921 (E_RNA) where: Base-Base interactions energy: -585.293 where: short stacking energy: -274.341 Base-Backbone interact. energy: -1.788 local terms energy: -345.974351 where: bonds (distance) C4'-P energy: -72.265 bonds (distance) P-C4' energy: -95.894 flat angles C4'-P-C4' energy: -74.571 flat angles P-C4'-P energy: -49.058 tors. eta vs tors. theta energy: -54.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -666.896488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.896488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.896488 (E_RNA) where: Base-Base interactions energy: -372.163 where: short stacking energy: -206.316 Base-Backbone interact. energy: -0.539 local terms energy: -294.193963 where: bonds (distance) C4'-P energy: -65.962 bonds (distance) P-C4' energy: -85.211 flat angles C4'-P-C4' energy: -87.442 flat angles P-C4'-P energy: -46.943 tors. eta vs tors. theta energy: -8.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -532.857512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.857512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.857512 (E_RNA) where: Base-Base interactions energy: -251.851 where: short stacking energy: -156.000 Base-Backbone interact. energy: -1.960 local terms energy: -279.046501 where: bonds (distance) C4'-P energy: -80.707 bonds (distance) P-C4' energy: -89.580 flat angles C4'-P-C4' energy: -77.698 flat angles P-C4'-P energy: -29.265 tors. eta vs tors. theta energy: -1.796 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: 10, replica: 8 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -531.894564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.894564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.894564 (E_RNA) where: Base-Base interactions energy: -241.311 where: short stacking energy: -150.941 Base-Backbone interact. energy: 0.302 local terms energy: -290.885398 where: bonds (distance) C4'-P energy: -82.891 bonds (distance) P-C4' energy: -83.550 flat angles C4'-P-C4' energy: -75.556 flat angles P-C4'-P energy: -45.096 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: 1, replica: 9 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1529.207912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.207912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.207912 (E_RNA) where: Base-Base interactions energy: -1028.098 where: short stacking energy: -461.141 Base-Backbone interact. energy: 0.076 local terms energy: -501.185025 where: bonds (distance) C4'-P energy: -95.230 bonds (distance) P-C4' energy: -101.665 flat angles C4'-P-C4' energy: -106.639 flat angles P-C4'-P energy: -57.912 tors. eta vs tors. theta energy: -139.738 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: 2, replica: 2 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1413.507355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.507355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.507355 (E_RNA) where: Base-Base interactions energy: -914.852 where: short stacking energy: -437.980 Base-Backbone interact. energy: -1.633 local terms energy: -497.021905 where: bonds (distance) C4'-P energy: -96.739 bonds (distance) P-C4' energy: -91.387 flat angles C4'-P-C4' energy: -106.499 flat angles P-C4'-P energy: -69.596 tors. eta vs tors. theta energy: -132.802 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: 10 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1345.715992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.715992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.715992 (E_RNA) where: Base-Base interactions energy: -884.260 where: short stacking energy: -417.664 Base-Backbone interact. energy: 2.085 local terms energy: -463.541160 where: bonds (distance) C4'-P energy: -96.601 bonds (distance) P-C4' energy: -69.363 flat angles C4'-P-C4' energy: -104.538 flat angles P-C4'-P energy: -64.631 tors. eta vs tors. theta energy: -128.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -1214.687049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.687049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.687049 (E_RNA) where: Base-Base interactions energy: -792.038 where: short stacking energy: -339.120 Base-Backbone interact. energy: -1.972 local terms energy: -420.677273 where: bonds (distance) C4'-P energy: -73.444 bonds (distance) P-C4' energy: -89.707 flat angles C4'-P-C4' energy: -90.833 flat angles P-C4'-P energy: -66.856 tors. eta vs tors. theta energy: -99.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -1129.468847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.468847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.468847 (E_RNA) where: Base-Base interactions energy: -726.149 where: short stacking energy: -347.662 Base-Backbone interact. energy: -2.033 local terms energy: -401.287250 where: bonds (distance) C4'-P energy: -92.821 bonds (distance) P-C4' energy: -75.047 flat angles C4'-P-C4' energy: -95.827 flat angles P-C4'-P energy: -62.817 tors. eta vs tors. theta energy: -74.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -1040.232594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.232594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.232594 (E_RNA) where: Base-Base interactions energy: -670.418 where: short stacking energy: -290.707 Base-Backbone interact. energy: -1.173 local terms energy: -368.641790 where: bonds (distance) C4'-P energy: -85.206 bonds (distance) P-C4' energy: -82.590 flat angles C4'-P-C4' energy: -80.501 flat angles P-C4'-P energy: -51.121 tors. eta vs tors. theta energy: -69.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -947.579054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.579054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.579054 (E_RNA) where: Base-Base interactions energy: -593.118 where: short stacking energy: -254.048 Base-Backbone interact. energy: 4.152 local terms energy: -358.613165 where: bonds (distance) C4'-P energy: -87.195 bonds (distance) P-C4' energy: -93.685 flat angles C4'-P-C4' energy: -82.829 flat angles P-C4'-P energy: -49.281 tors. eta vs tors. theta energy: -45.622 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: 456 Temperature: 1.250000 Total energy: -674.460292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.460292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.460292 (E_RNA) where: Base-Base interactions energy: -359.965 where: short stacking energy: -176.340 Base-Backbone interact. energy: -1.540 local terms energy: -312.955199 where: bonds (distance) C4'-P energy: -91.846 bonds (distance) P-C4' energy: -78.717 flat angles C4'-P-C4' energy: -90.195 flat angles P-C4'-P energy: -38.811 tors. eta vs tors. theta energy: -13.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -548.558155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.558155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.558155 (E_RNA) where: Base-Base interactions energy: -255.009 where: short stacking energy: -162.646 Base-Backbone interact. energy: 0.585 local terms energy: -294.134277 where: bonds (distance) C4'-P energy: -69.832 bonds (distance) P-C4' energy: -83.831 flat angles C4'-P-C4' energy: -83.409 flat angles P-C4'-P energy: -52.240 tors. eta vs tors. theta energy: -4.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -523.183497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.183497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.183497 (E_RNA) where: Base-Base interactions energy: -245.031 where: short stacking energy: -144.009 Base-Backbone interact. energy: 0.367 local terms energy: -278.518919 where: bonds (distance) C4'-P energy: -51.857 bonds (distance) P-C4' energy: -91.941 flat angles C4'-P-C4' energy: -75.800 flat angles P-C4'-P energy: -56.160 tors. eta vs tors. theta energy: -2.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -1508.250641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.250641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.250641 (E_RNA) where: Base-Base interactions energy: -1024.942 where: short stacking energy: -468.343 Base-Backbone interact. energy: -0.192 local terms energy: -483.116356 where: bonds (distance) C4'-P energy: -89.655 bonds (distance) P-C4' energy: -89.213 flat angles C4'-P-C4' energy: -109.828 flat angles P-C4'-P energy: -51.420 tors. eta vs tors. theta energy: -143.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1413.439551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.439551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.439551 (E_RNA) where: Base-Base interactions energy: -901.088 where: short stacking energy: -418.085 Base-Backbone interact. energy: -1.254 local terms energy: -511.097818 where: bonds (distance) C4'-P energy: -85.819 bonds (distance) P-C4' energy: -108.398 flat angles C4'-P-C4' energy: -101.405 flat angles P-C4'-P energy: -74.509 tors. eta vs tors. theta energy: -140.967 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: 10 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1347.174613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.174613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.174613 (E_RNA) where: Base-Base interactions energy: -874.310 where: short stacking energy: -414.820 Base-Backbone interact. energy: -2.273 local terms energy: -470.591687 where: bonds (distance) C4'-P energy: -89.203 bonds (distance) P-C4' energy: -93.055 flat angles C4'-P-C4' energy: -102.658 flat angles P-C4'-P energy: -66.872 tors. eta vs tors. theta energy: -118.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -1242.219985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.219985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.219985 (E_RNA) where: Base-Base interactions energy: -797.082 where: short stacking energy: -379.684 Base-Backbone interact. energy: -1.669 local terms energy: -443.468654 where: bonds (distance) C4'-P energy: -80.895 bonds (distance) P-C4' energy: -91.361 flat angles C4'-P-C4' energy: -100.743 flat angles P-C4'-P energy: -53.623 tors. eta vs tors. theta energy: -116.847 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: 7 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -1115.053366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.053366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.053366 (E_RNA) where: Base-Base interactions energy: -708.064 where: short stacking energy: -345.173 Base-Backbone interact. energy: -0.983 local terms energy: -406.006287 where: bonds (distance) C4'-P energy: -81.446 bonds (distance) P-C4' energy: -85.551 flat angles C4'-P-C4' energy: -89.999 flat angles P-C4'-P energy: -61.140 tors. eta vs tors. theta energy: -87.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1079.916588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.916588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.916588 (E_RNA) where: Base-Base interactions energy: -688.580 where: short stacking energy: -316.861 Base-Backbone interact. energy: -1.949 local terms energy: -389.388061 where: bonds (distance) C4'-P energy: -72.568 bonds (distance) P-C4' energy: -89.558 flat angles C4'-P-C4' energy: -80.973 flat angles P-C4'-P energy: -66.690 tors. eta vs tors. theta energy: -79.599 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: 7, replica: 6 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -921.040661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.040661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.040661 (E_RNA) where: Base-Base interactions energy: -566.419 where: short stacking energy: -253.018 Base-Backbone interact. energy: -0.856 local terms energy: -353.765727 where: bonds (distance) C4'-P energy: -82.925 bonds (distance) P-C4' energy: -80.037 flat angles C4'-P-C4' energy: -88.461 flat angles P-C4'-P energy: -59.465 tors. eta vs tors. theta energy: -42.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -684.275600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.275600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.275600 (E_RNA) where: Base-Base interactions energy: -340.702 where: short stacking energy: -176.085 Base-Backbone interact. energy: -1.879 local terms energy: -341.695132 where: bonds (distance) C4'-P energy: -82.672 bonds (distance) P-C4' energy: -88.201 flat angles C4'-P-C4' energy: -90.384 flat angles P-C4'-P energy: -50.120 tors. eta vs tors. theta energy: -30.317 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: 3 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -537.010220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.010220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.010220 (E_RNA) where: Base-Base interactions energy: -250.473 where: short stacking energy: -150.630 Base-Backbone interact. energy: -3.356 local terms energy: -283.181465 where: bonds (distance) C4'-P energy: -76.798 bonds (distance) P-C4' energy: -89.279 flat angles C4'-P-C4' energy: -68.756 flat angles P-C4'-P energy: -41.125 tors. eta vs tors. theta energy: -7.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -511.493370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.493370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.493370 (E_RNA) where: Base-Base interactions energy: -242.181 where: short stacking energy: -118.114 Base-Backbone interact. energy: 4.788 local terms energy: -274.100870 where: bonds (distance) C4'-P energy: -83.129 bonds (distance) P-C4' energy: -91.365 flat angles C4'-P-C4' energy: -76.086 flat angles P-C4'-P energy: -40.887 tors. eta vs tors. theta energy: 17.366 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: 9 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1512.930478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.930478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.930478 (E_RNA) where: Base-Base interactions energy: -1009.068 where: short stacking energy: -457.429 Base-Backbone interact. energy: -1.514 local terms energy: -502.348762 where: bonds (distance) C4'-P energy: -99.121 bonds (distance) P-C4' energy: -100.385 flat angles C4'-P-C4' energy: -108.769 flat angles P-C4'-P energy: -65.910 tors. eta vs tors. theta energy: -128.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1383.662988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.662988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.662988 (E_RNA) where: Base-Base interactions energy: -911.079 where: short stacking energy: -421.804 Base-Backbone interact. energy: 0.964 local terms energy: -473.547654 where: bonds (distance) C4'-P energy: -96.885 bonds (distance) P-C4' energy: -97.345 flat angles C4'-P-C4' energy: -99.395 flat angles P-C4'-P energy: -69.085 tors. eta vs tors. theta energy: -110.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -1334.619936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.619936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.619936 (E_RNA) where: Base-Base interactions energy: -887.207 where: short stacking energy: -425.399 Base-Backbone interact. energy: -0.196 local terms energy: -447.216457 where: bonds (distance) C4'-P energy: -82.556 bonds (distance) P-C4' energy: -80.215 flat angles C4'-P-C4' energy: -92.870 flat angles P-C4'-P energy: -61.154 tors. eta vs tors. theta energy: -130.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -1192.663150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.663150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.663150 (E_RNA) where: Base-Base interactions energy: -759.638 where: short stacking energy: -359.178 Base-Backbone interact. energy: 2.195 local terms energy: -435.220086 where: bonds (distance) C4'-P energy: -81.607 bonds (distance) P-C4' energy: -84.374 flat angles C4'-P-C4' energy: -95.080 flat angles P-C4'-P energy: -76.987 tors. eta vs tors. theta energy: -97.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -1094.118938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.118938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.118938 (E_RNA) where: Base-Base interactions energy: -694.308 where: short stacking energy: -320.965 Base-Backbone interact. energy: -1.885 local terms energy: -397.926624 where: bonds (distance) C4'-P energy: -81.219 bonds (distance) P-C4' energy: -85.655 flat angles C4'-P-C4' energy: -90.446 flat angles P-C4'-P energy: -58.244 tors. eta vs tors. theta energy: -82.363 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: 1 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -1085.286378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.286378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.286378 (E_RNA) where: Base-Base interactions energy: -693.634 where: short stacking energy: -328.270 Base-Backbone interact. energy: -0.819 local terms energy: -390.833613 where: bonds (distance) C4'-P energy: -84.005 bonds (distance) P-C4' energy: -81.707 flat angles C4'-P-C4' energy: -88.656 flat angles P-C4'-P energy: -52.656 tors. eta vs tors. theta energy: -83.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -923.503169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.503169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.503169 (E_RNA) where: Base-Base interactions energy: -569.710 where: short stacking energy: -262.341 Base-Backbone interact. energy: -0.199 local terms energy: -353.594732 where: bonds (distance) C4'-P energy: -80.945 bonds (distance) P-C4' energy: -85.348 flat angles C4'-P-C4' energy: -83.052 flat angles P-C4'-P energy: -54.252 tors. eta vs tors. theta energy: -49.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -697.098153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.098153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.098153 (E_RNA) where: Base-Base interactions energy: -395.012 where: short stacking energy: -187.922 Base-Backbone interact. energy: 0.023 local terms energy: -302.108413 where: bonds (distance) C4'-P energy: -61.631 bonds (distance) P-C4' energy: -100.220 flat angles C4'-P-C4' energy: -77.761 flat angles P-C4'-P energy: -44.627 tors. eta vs tors. theta energy: -17.869 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: 8 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -524.713543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.713543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.713543 (E_RNA) where: Base-Base interactions energy: -261.970 where: short stacking energy: -139.145 Base-Backbone interact. energy: 2.296 local terms energy: -265.039777 where: bonds (distance) C4'-P energy: -70.452 bonds (distance) P-C4' energy: -79.878 flat angles C4'-P-C4' energy: -74.193 flat angles P-C4'-P energy: -45.809 tors. eta vs tors. theta energy: 5.293 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: 3 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -501.109416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.109416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.109416 (E_RNA) where: Base-Base interactions energy: -243.041 where: short stacking energy: -146.024 Base-Backbone interact. energy: -0.959 local terms energy: -257.108668 where: bonds (distance) C4'-P energy: -60.189 bonds (distance) P-C4' energy: -78.885 flat angles C4'-P-C4' energy: -71.457 flat angles P-C4'-P energy: -34.409 tors. eta vs tors. theta energy: -12.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1550.370634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.370634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.370634 (E_RNA) where: Base-Base interactions energy: -1037.960 where: short stacking energy: -483.097 Base-Backbone interact. energy: -3.090 local terms energy: -509.320269 where: bonds (distance) C4'-P energy: -93.248 bonds (distance) P-C4' energy: -100.267 flat angles C4'-P-C4' energy: -101.821 flat angles P-C4'-P energy: -72.746 tors. eta vs tors. theta energy: -141.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1363.576487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.576487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.576487 (E_RNA) where: Base-Base interactions energy: -884.770 where: short stacking energy: -426.284 Base-Backbone interact. energy: -3.836 local terms energy: -474.971076 where: bonds (distance) C4'-P energy: -92.381 bonds (distance) P-C4' energy: -90.076 flat angles C4'-P-C4' energy: -112.939 flat angles P-C4'-P energy: -62.782 tors. eta vs tors. theta energy: -116.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -1308.167430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.167430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.167430 (E_RNA) where: Base-Base interactions energy: -861.331 where: short stacking energy: -376.016 Base-Backbone interact. energy: -0.326 local terms energy: -446.510906 where: bonds (distance) C4'-P energy: -83.772 bonds (distance) P-C4' energy: -85.929 flat angles C4'-P-C4' energy: -108.070 flat angles P-C4'-P energy: -61.246 tors. eta vs tors. theta energy: -107.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -1239.769187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.769187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.769187 (E_RNA) where: Base-Base interactions energy: -810.665 where: short stacking energy: -394.936 Base-Backbone interact. energy: -2.468 local terms energy: -426.635987 where: bonds (distance) C4'-P energy: -93.276 bonds (distance) P-C4' energy: -79.197 flat angles C4'-P-C4' energy: -87.809 flat angles P-C4'-P energy: -59.246 tors. eta vs tors. theta energy: -107.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -1140.841096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.841096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.841096 (E_RNA) where: Base-Base interactions energy: -733.418 where: short stacking energy: -349.927 Base-Backbone interact. energy: -2.427 local terms energy: -404.996315 where: bonds (distance) C4'-P energy: -78.185 bonds (distance) P-C4' energy: -71.894 flat angles C4'-P-C4' energy: -105.711 flat angles P-C4'-P energy: -54.077 tors. eta vs tors. theta energy: -95.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -1127.316140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.316140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.316140 (E_RNA) where: Base-Base interactions energy: -734.376 where: short stacking energy: -332.089 Base-Backbone interact. energy: 1.271 local terms energy: -394.210948 where: bonds (distance) C4'-P energy: -87.561 bonds (distance) P-C4' energy: -84.517 flat angles C4'-P-C4' energy: -85.604 flat angles P-C4'-P energy: -60.536 tors. eta vs tors. theta energy: -75.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -860.235125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.235125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.235125 (E_RNA) where: Base-Base interactions energy: -507.808 where: short stacking energy: -246.745 Base-Backbone interact. energy: -1.224 local terms energy: -351.203262 where: bonds (distance) C4'-P energy: -79.099 bonds (distance) P-C4' energy: -91.474 flat angles C4'-P-C4' energy: -90.846 flat angles P-C4'-P energy: -51.040 tors. eta vs tors. theta energy: -38.745 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: 8 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -574.048733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.048733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.048733 (E_RNA) where: Base-Base interactions energy: -261.015 where: short stacking energy: -160.323 Base-Backbone interact. energy: -3.100 local terms energy: -309.933915 where: bonds (distance) C4'-P energy: -83.027 bonds (distance) P-C4' energy: -99.059 flat angles C4'-P-C4' energy: -75.050 flat angles P-C4'-P energy: -48.234 tors. eta vs tors. theta energy: -4.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -613.041944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.041944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.041944 (E_RNA) where: Base-Base interactions energy: -311.500 where: short stacking energy: -152.555 Base-Backbone interact. energy: 1.035 local terms energy: -302.577155 where: bonds (distance) C4'-P energy: -84.301 bonds (distance) P-C4' energy: -86.462 flat angles C4'-P-C4' energy: -72.170 flat angles P-C4'-P energy: -49.955 tors. eta vs tors. theta energy: -9.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -497.636476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.636476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.636476 (E_RNA) where: Base-Base interactions energy: -244.123 where: short stacking energy: -133.058 Base-Backbone interact. energy: 1.070 local terms energy: -254.583394 where: bonds (distance) C4'-P energy: -83.201 bonds (distance) P-C4' energy: -75.935 flat angles C4'-P-C4' energy: -64.148 flat angles P-C4'-P energy: -32.661 tors. eta vs tors. theta energy: 1.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1558.462365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.462365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.462365 (E_RNA) where: Base-Base interactions energy: -1063.824 where: short stacking energy: -472.396 Base-Backbone interact. energy: 0.390 local terms energy: -495.028474 where: bonds (distance) C4'-P energy: -93.203 bonds (distance) P-C4' energy: -92.543 flat angles C4'-P-C4' energy: -104.701 flat angles P-C4'-P energy: -63.250 tors. eta vs tors. theta energy: -141.332 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: 10 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1340.889119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.889119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.889119 (E_RNA) where: Base-Base interactions energy: -873.180 where: short stacking energy: -394.968 Base-Backbone interact. energy: -2.081 local terms energy: -465.628008 where: bonds (distance) C4'-P energy: -93.061 bonds (distance) P-C4' energy: -91.078 flat angles C4'-P-C4' energy: -115.578 flat angles P-C4'-P energy: -64.279 tors. eta vs tors. theta energy: -101.632 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: 2 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1298.130000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.130000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.130000 (E_RNA) where: Base-Base interactions energy: -844.973 where: short stacking energy: -386.626 Base-Backbone interact. energy: 0.342 local terms energy: -453.498803 where: bonds (distance) C4'-P energy: -93.275 bonds (distance) P-C4' energy: -88.195 flat angles C4'-P-C4' energy: -94.821 flat angles P-C4'-P energy: -63.024 tors. eta vs tors. theta energy: -114.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -1243.326455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.326455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.326455 (E_RNA) where: Base-Base interactions energy: -789.266 where: short stacking energy: -352.658 Base-Backbone interact. energy: -1.499 local terms energy: -452.562142 where: bonds (distance) C4'-P energy: -100.038 bonds (distance) P-C4' energy: -86.736 flat angles C4'-P-C4' energy: -93.948 flat angles P-C4'-P energy: -72.442 tors. eta vs tors. theta energy: -99.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -1102.874786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.874786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.874786 (E_RNA) where: Base-Base interactions energy: -717.893 where: short stacking energy: -335.505 Base-Backbone interact. energy: -2.940 local terms energy: -382.042306 where: bonds (distance) C4'-P energy: -81.383 bonds (distance) P-C4' energy: -90.156 flat angles C4'-P-C4' energy: -90.938 flat angles P-C4'-P energy: -44.559 tors. eta vs tors. theta energy: -75.006 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: 1 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -1061.430372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.430372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.430372 (E_RNA) where: Base-Base interactions energy: -687.559 where: short stacking energy: -289.120 Base-Backbone interact. energy: 1.372 local terms energy: -375.242851 where: bonds (distance) C4'-P energy: -78.660 bonds (distance) P-C4' energy: -90.750 flat angles C4'-P-C4' energy: -86.454 flat angles P-C4'-P energy: -64.439 tors. eta vs tors. theta energy: -54.940 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: 6 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -815.930385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.930385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.930385 (E_RNA) where: Base-Base interactions energy: -487.083 where: short stacking energy: -241.280 Base-Backbone interact. energy: -2.621 local terms energy: -326.226304 where: bonds (distance) C4'-P energy: -79.938 bonds (distance) P-C4' energy: -80.740 flat angles C4'-P-C4' energy: -84.550 flat angles P-C4'-P energy: -41.412 tors. eta vs tors. theta energy: -39.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -604.113534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.113534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.113534 (E_RNA) where: Base-Base interactions energy: -325.765 where: short stacking energy: -183.893 Base-Backbone interact. energy: 3.418 local terms energy: -281.766395 where: bonds (distance) C4'-P energy: -66.955 bonds (distance) P-C4' energy: -82.864 flat angles C4'-P-C4' energy: -61.172 flat angles P-C4'-P energy: -53.397 tors. eta vs tors. theta energy: -17.378 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: 4 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -655.156787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.156787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.156787 (E_RNA) where: Base-Base interactions energy: -342.339 where: short stacking energy: -167.619 Base-Backbone interact. energy: -3.370 local terms energy: -309.447572 where: bonds (distance) C4'-P energy: -65.941 bonds (distance) P-C4' energy: -93.951 flat angles C4'-P-C4' energy: -82.529 flat angles P-C4'-P energy: -49.508 tors. eta vs tors. theta energy: -17.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -610.283387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.283387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.283387 (E_RNA) where: Base-Base interactions energy: -332.047 where: short stacking energy: -161.130 Base-Backbone interact. energy: 4.978 local terms energy: -283.214558 where: bonds (distance) C4'-P energy: -88.935 bonds (distance) P-C4' energy: -91.839 flat angles C4'-P-C4' energy: -62.975 flat angles P-C4'-P energy: -29.964 tors. eta vs tors. theta energy: -9.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1561.058987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.058987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.058987 (E_RNA) where: Base-Base interactions energy: -1056.380 where: short stacking energy: -478.645 Base-Backbone interact. energy: 0.649 local terms energy: -505.328659 where: bonds (distance) C4'-P energy: -106.150 bonds (distance) P-C4' energy: -88.730 flat angles C4'-P-C4' energy: -109.885 flat angles P-C4'-P energy: -63.098 tors. eta vs tors. theta energy: -137.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1409.101305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.101305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.101305 (E_RNA) where: Base-Base interactions energy: -912.610 where: short stacking energy: -454.354 Base-Backbone interact. energy: -1.054 local terms energy: -495.437071 where: bonds (distance) C4'-P energy: -86.083 bonds (distance) P-C4' energy: -98.523 flat angles C4'-P-C4' energy: -104.960 flat angles P-C4'-P energy: -80.024 tors. eta vs tors. theta energy: -125.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1297.868511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.868511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.868511 (E_RNA) where: Base-Base interactions energy: -862.792 where: short stacking energy: -389.907 Base-Backbone interact. energy: -0.904 local terms energy: -434.173364 where: bonds (distance) C4'-P energy: -75.440 bonds (distance) P-C4' energy: -99.108 flat angles C4'-P-C4' energy: -100.815 flat angles P-C4'-P energy: -67.181 tors. eta vs tors. theta energy: -91.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -1217.943848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.943848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.943848 (E_RNA) where: Base-Base interactions energy: -785.517 where: short stacking energy: -364.384 Base-Backbone interact. energy: -0.240 local terms energy: -432.186908 where: bonds (distance) C4'-P energy: -85.960 bonds (distance) P-C4' energy: -82.329 flat angles C4'-P-C4' energy: -105.345 flat angles P-C4'-P energy: -59.446 tors. eta vs tors. theta energy: -99.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -1126.369793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.369793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.369793 (E_RNA) where: Base-Base interactions energy: -725.166 where: short stacking energy: -329.409 Base-Backbone interact. energy: -0.186 local terms energy: -401.017667 where: bonds (distance) C4'-P energy: -96.683 bonds (distance) P-C4' energy: -85.776 flat angles C4'-P-C4' energy: -91.364 flat angles P-C4'-P energy: -55.638 tors. eta vs tors. theta energy: -71.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -1073.634585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.634585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.634585 (E_RNA) where: Base-Base interactions energy: -710.863 where: short stacking energy: -301.650 Base-Backbone interact. energy: 0.248 local terms energy: -363.019482 where: bonds (distance) C4'-P energy: -77.874 bonds (distance) P-C4' energy: -88.157 flat angles C4'-P-C4' energy: -79.156 flat angles P-C4'-P energy: -55.659 tors. eta vs tors. theta energy: -62.173 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: 6 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -817.508265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.508265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.508265 (E_RNA) where: Base-Base interactions energy: -498.377 where: short stacking energy: -233.898 Base-Backbone interact. energy: -1.086 local terms energy: -318.044497 where: bonds (distance) C4'-P energy: -73.136 bonds (distance) P-C4' energy: -84.474 flat angles C4'-P-C4' energy: -79.737 flat angles P-C4'-P energy: -42.413 tors. eta vs tors. theta energy: -38.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -701.735977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.735977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.735977 (E_RNA) where: Base-Base interactions energy: -387.212 where: short stacking energy: -200.335 Base-Backbone interact. energy: -2.230 local terms energy: -312.293735 where: bonds (distance) C4'-P energy: -74.936 bonds (distance) P-C4' energy: -83.720 flat angles C4'-P-C4' energy: -76.074 flat angles P-C4'-P energy: -49.727 tors. eta vs tors. theta energy: -27.837 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: 8 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -565.756950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.756950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.756950 (E_RNA) where: Base-Base interactions energy: -261.603 where: short stacking energy: -160.154 Base-Backbone interact. energy: -0.656 local terms energy: -303.497506 where: bonds (distance) C4'-P energy: -89.795 bonds (distance) P-C4' energy: -90.400 flat angles C4'-P-C4' energy: -73.703 flat angles P-C4'-P energy: -33.037 tors. eta vs tors. theta energy: -16.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -567.078559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.078559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.078559 (E_RNA) where: Base-Base interactions energy: -279.928 where: short stacking energy: -144.333 Base-Backbone interact. energy: 0.780 local terms energy: -287.930429 where: bonds (distance) C4'-P energy: -87.001 bonds (distance) P-C4' energy: -68.091 flat angles C4'-P-C4' energy: -88.583 flat angles P-C4'-P energy: -40.218 tors. eta vs tors. theta energy: -4.037 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: 9 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -1563.226013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.226013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.226013 (E_RNA) where: Base-Base interactions energy: -1084.740 where: short stacking energy: -445.753 Base-Backbone interact. energy: -4.097 local terms energy: -474.389729 where: bonds (distance) C4'-P energy: -72.628 bonds (distance) P-C4' energy: -97.924 flat angles C4'-P-C4' energy: -105.035 flat angles P-C4'-P energy: -63.631 tors. eta vs tors. theta energy: -135.172 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: 10 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1403.256810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.256810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.256810 (E_RNA) where: Base-Base interactions energy: -910.510 where: short stacking energy: -428.931 Base-Backbone interact. energy: -1.820 local terms energy: -490.926899 where: bonds (distance) C4'-P energy: -103.763 bonds (distance) P-C4' energy: -94.402 flat angles C4'-P-C4' energy: -108.201 flat angles P-C4'-P energy: -68.763 tors. eta vs tors. theta energy: -115.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -1275.681650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.681650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.681650 (E_RNA) where: Base-Base interactions energy: -829.055 where: short stacking energy: -396.945 Base-Backbone interact. energy: 2.280 local terms energy: -448.906649 where: bonds (distance) C4'-P energy: -93.364 bonds (distance) P-C4' energy: -95.974 flat angles C4'-P-C4' energy: -102.804 flat angles P-C4'-P energy: -50.785 tors. eta vs tors. theta energy: -105.980 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: 2 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -1255.509108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.509108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.509108 (E_RNA) where: Base-Base interactions energy: -822.728 where: short stacking energy: -366.358 Base-Backbone interact. energy: -1.594 local terms energy: -431.187823 where: bonds (distance) C4'-P energy: -84.873 bonds (distance) P-C4' energy: -88.482 flat angles C4'-P-C4' energy: -92.806 flat angles P-C4'-P energy: -60.899 tors. eta vs tors. theta energy: -104.128 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: 7 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -1158.452833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.452833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.452833 (E_RNA) where: Base-Base interactions energy: -748.703 where: short stacking energy: -354.200 Base-Backbone interact. energy: -0.197 local terms energy: -409.552804 where: bonds (distance) C4'-P energy: -79.416 bonds (distance) P-C4' energy: -85.311 flat angles C4'-P-C4' energy: -92.214 flat angles P-C4'-P energy: -60.885 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: 6, replica: 1 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1036.734069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.734069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.734069 (E_RNA) where: Base-Base interactions energy: -664.956 where: short stacking energy: -285.321 Base-Backbone interact. energy: -3.531 local terms energy: -368.247073 where: bonds (distance) C4'-P energy: -81.331 bonds (distance) P-C4' energy: -77.902 flat angles C4'-P-C4' energy: -99.716 flat angles P-C4'-P energy: -53.612 tors. eta vs tors. theta energy: -55.686 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: 462 Temperature: 1.200000 Total energy: -862.868657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.868657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.868657 (E_RNA) where: Base-Base interactions energy: -530.360 where: short stacking energy: -258.560 Base-Backbone interact. energy: 2.733 local terms energy: -335.241382 where: bonds (distance) C4'-P energy: -62.061 bonds (distance) P-C4' energy: -90.709 flat angles C4'-P-C4' energy: -87.420 flat angles P-C4'-P energy: -53.189 tors. eta vs tors. theta energy: -41.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -675.775333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.775333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.775333 (E_RNA) where: Base-Base interactions energy: -375.565 where: short stacking energy: -176.196 Base-Backbone interact. energy: 4.400 local terms energy: -304.609845 where: bonds (distance) C4'-P energy: -83.934 bonds (distance) P-C4' energy: -86.519 flat angles C4'-P-C4' energy: -72.709 flat angles P-C4'-P energy: -55.259 tors. eta vs tors. theta energy: -6.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -561.090663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.090663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.090663 (E_RNA) where: Base-Base interactions energy: -287.003 where: short stacking energy: -147.818 Base-Backbone interact. energy: 4.356 local terms energy: -278.443443 where: bonds (distance) C4'-P energy: -80.497 bonds (distance) P-C4' energy: -80.801 flat angles C4'-P-C4' energy: -69.844 flat angles P-C4'-P energy: -31.843 tors. eta vs tors. theta energy: -15.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -522.724197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.724197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.724197 (E_RNA) where: Base-Base interactions energy: -273.069 where: short stacking energy: -141.766 Base-Backbone interact. energy: -0.456 local terms energy: -249.199968 where: bonds (distance) C4'-P energy: -74.393 bonds (distance) P-C4' energy: -78.170 flat angles C4'-P-C4' energy: -61.002 flat angles P-C4'-P energy: -35.800 tors. eta vs tors. theta energy: 0.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1575.523264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.523264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.523264 (E_RNA) where: Base-Base interactions energy: -1058.779 where: short stacking energy: -460.160 Base-Backbone interact. energy: 0.373 local terms energy: -517.117129 where: bonds (distance) C4'-P energy: -96.746 bonds (distance) P-C4' energy: -94.770 flat angles C4'-P-C4' energy: -114.309 flat angles P-C4'-P energy: -72.526 tors. eta vs tors. theta energy: -138.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1396.294080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.294080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.294080 (E_RNA) where: Base-Base interactions energy: -923.601 where: short stacking energy: -440.055 Base-Backbone interact. energy: -2.867 local terms energy: -469.825719 where: bonds (distance) C4'-P energy: -94.514 bonds (distance) P-C4' energy: -82.976 flat angles C4'-P-C4' energy: -107.340 flat angles P-C4'-P energy: -66.586 tors. eta vs tors. theta energy: -118.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1304.769999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.769999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.769999 (E_RNA) where: Base-Base interactions energy: -855.295 where: short stacking energy: -387.390 Base-Backbone interact. energy: -2.065 local terms energy: -447.409921 where: bonds (distance) C4'-P energy: -87.198 bonds (distance) P-C4' energy: -95.156 flat angles C4'-P-C4' energy: -95.269 flat angles P-C4'-P energy: -61.964 tors. eta vs tors. theta energy: -107.822 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: 463 Temperature: 1.050000 Total energy: -1285.348979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.348979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.348979 (E_RNA) where: Base-Base interactions energy: -853.675 where: short stacking energy: -401.832 Base-Backbone interact. energy: 2.593 local terms energy: -434.266235 where: bonds (distance) C4'-P energy: -78.260 bonds (distance) P-C4' energy: -90.456 flat angles C4'-P-C4' energy: -85.211 flat angles P-C4'-P energy: -71.945 tors. eta vs tors. theta energy: -108.394 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: 7 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -1126.949852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.949852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.949852 (E_RNA) where: Base-Base interactions energy: -698.711 where: short stacking energy: -329.441 Base-Backbone interact. energy: -2.415 local terms energy: -425.823376 where: bonds (distance) C4'-P energy: -81.663 bonds (distance) P-C4' energy: -90.622 flat angles C4'-P-C4' energy: -107.284 flat angles P-C4'-P energy: -62.775 tors. eta vs tors. theta energy: -83.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -1039.089554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.089554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.089554 (E_RNA) where: Base-Base interactions energy: -657.995 where: short stacking energy: -299.040 Base-Backbone interact. energy: 4.453 local terms energy: -385.547881 where: bonds (distance) C4'-P energy: -88.232 bonds (distance) P-C4' energy: -77.673 flat angles C4'-P-C4' energy: -92.549 flat angles P-C4'-P energy: -59.990 tors. eta vs tors. theta energy: -67.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -841.244420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.244420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.244420 (E_RNA) where: Base-Base interactions energy: -503.788 where: short stacking energy: -262.331 Base-Backbone interact. energy: 2.682 local terms energy: -340.139110 where: bonds (distance) C4'-P energy: -74.463 bonds (distance) P-C4' energy: -94.598 flat angles C4'-P-C4' energy: -88.597 flat angles P-C4'-P energy: -40.230 tors. eta vs tors. theta energy: -42.251 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: 463 Temperature: 1.250000 Total energy: -658.843786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.843786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.843786 (E_RNA) where: Base-Base interactions energy: -349.933 where: short stacking energy: -174.416 Base-Backbone interact. energy: -1.617 local terms energy: -307.293899 where: bonds (distance) C4'-P energy: -79.354 bonds (distance) P-C4' energy: -85.820 flat angles C4'-P-C4' energy: -85.680 flat angles P-C4'-P energy: -45.001 tors. eta vs tors. theta energy: -11.439 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: 9, replica: 4 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -580.687275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.687275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.687275 (E_RNA) where: Base-Base interactions energy: -295.909 where: short stacking energy: -159.489 Base-Backbone interact. energy: -1.778 local terms energy: -283.000031 where: bonds (distance) C4'-P energy: -82.424 bonds (distance) P-C4' energy: -73.527 flat angles C4'-P-C4' energy: -81.499 flat angles P-C4'-P energy: -37.676 tors. eta vs tors. theta energy: -7.874 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: 10, replica: 8 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -505.301231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.301231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.301231 (E_RNA) where: Base-Base interactions energy: -255.057 where: short stacking energy: -134.171 Base-Backbone interact. energy: -1.023 local terms energy: -249.221135 where: bonds (distance) C4'-P energy: -84.428 bonds (distance) P-C4' energy: -62.035 flat angles C4'-P-C4' energy: -67.130 flat angles P-C4'-P energy: -47.226 tors. eta vs tors. theta energy: 11.599 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: 1, replica: 9 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1561.886684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.886684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.886684 (E_RNA) where: Base-Base interactions energy: -1054.467 where: short stacking energy: -477.031 Base-Backbone interact. energy: -2.170 local terms energy: -505.250161 where: bonds (distance) C4'-P energy: -90.197 bonds (distance) P-C4' energy: -98.963 flat angles C4'-P-C4' energy: -108.715 flat angles P-C4'-P energy: -67.105 tors. eta vs tors. theta energy: -140.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1399.040773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.040773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.040773 (E_RNA) where: Base-Base interactions energy: -911.949 where: short stacking energy: -421.837 Base-Backbone interact. energy: -2.204 local terms energy: -484.888228 where: bonds (distance) C4'-P energy: -92.323 bonds (distance) P-C4' energy: -102.200 flat angles C4'-P-C4' energy: -104.708 flat angles P-C4'-P energy: -72.416 tors. eta vs tors. theta energy: -113.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1340.158271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.158271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.158271 (E_RNA) where: Base-Base interactions energy: -868.539 where: short stacking energy: -397.795 Base-Backbone interact. energy: 0.113 local terms energy: -471.732834 where: bonds (distance) C4'-P energy: -87.522 bonds (distance) P-C4' energy: -105.947 flat angles C4'-P-C4' energy: -97.033 flat angles P-C4'-P energy: -70.769 tors. eta vs tors. theta energy: -110.463 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: 464 Temperature: 1.050000 Total energy: -1249.981100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.981100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.981100 (E_RNA) where: Base-Base interactions energy: -800.635 where: short stacking energy: -353.973 Base-Backbone interact. energy: -1.583 local terms energy: -447.763176 where: bonds (distance) C4'-P energy: -89.367 bonds (distance) P-C4' energy: -93.379 flat angles C4'-P-C4' energy: -95.680 flat angles P-C4'-P energy: -67.032 tors. eta vs tors. theta energy: -102.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -1111.175413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.175413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.175413 (E_RNA) where: Base-Base interactions energy: -719.851 where: short stacking energy: -332.745 Base-Backbone interact. energy: -0.297 local terms energy: -391.027743 where: bonds (distance) C4'-P energy: -92.494 bonds (distance) P-C4' energy: -86.921 flat angles C4'-P-C4' energy: -83.830 flat angles P-C4'-P energy: -50.617 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: 1 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -1048.331426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.331426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.331426 (E_RNA) where: Base-Base interactions energy: -662.460 where: short stacking energy: -307.873 Base-Backbone interact. energy: -1.279 local terms energy: -384.592888 where: bonds (distance) C4'-P energy: -82.490 bonds (distance) P-C4' energy: -92.935 flat angles C4'-P-C4' energy: -91.618 flat angles P-C4'-P energy: -54.565 tors. eta vs tors. theta energy: -62.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -818.570571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.570571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.570571 (E_RNA) where: Base-Base interactions energy: -473.795 where: short stacking energy: -247.470 Base-Backbone interact. energy: -1.681 local terms energy: -343.094404 where: bonds (distance) C4'-P energy: -84.240 bonds (distance) P-C4' energy: -70.462 flat angles C4'-P-C4' energy: -85.696 flat angles P-C4'-P energy: -46.076 tors. eta vs tors. theta energy: -56.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -724.437620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.437620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.437620 (E_RNA) where: Base-Base interactions energy: -402.701 where: short stacking energy: -222.368 Base-Backbone interact. energy: 2.886 local terms energy: -324.622457 where: bonds (distance) C4'-P energy: -86.196 bonds (distance) P-C4' energy: -80.005 flat angles C4'-P-C4' energy: -75.881 flat angles P-C4'-P energy: -48.183 tors. eta vs tors. theta energy: -34.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -622.445376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.445376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.445376 (E_RNA) where: Base-Base interactions energy: -358.070 where: short stacking energy: -178.668 Base-Backbone interact. energy: -0.662 local terms energy: -263.713451 where: bonds (distance) C4'-P energy: -68.776 bonds (distance) P-C4' energy: -87.842 flat angles C4'-P-C4' energy: -52.950 flat angles P-C4'-P energy: -40.816 tors. eta vs tors. theta energy: -13.329 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: 10, replica: 8 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -514.370956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.370956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.370956 (E_RNA) where: Base-Base interactions energy: -228.924 where: short stacking energy: -130.304 Base-Backbone interact. energy: -0.805 local terms energy: -284.641499 where: bonds (distance) C4'-P energy: -89.118 bonds (distance) P-C4' energy: -87.079 flat angles C4'-P-C4' energy: -69.300 flat angles P-C4'-P energy: -52.647 tors. eta vs tors. theta energy: 13.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1578.506819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.506819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.506819 (E_RNA) where: Base-Base interactions energy: -1063.327 where: short stacking energy: -471.567 Base-Backbone interact. energy: -3.116 local terms energy: -512.063272 where: bonds (distance) C4'-P energy: -97.413 bonds (distance) P-C4' energy: -88.811 flat angles C4'-P-C4' energy: -112.711 flat angles P-C4'-P energy: -84.749 tors. eta vs tors. theta energy: -128.380 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: 10 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1376.887402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.887402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.887402 (E_RNA) where: Base-Base interactions energy: -892.271 where: short stacking energy: -405.799 Base-Backbone interact. energy: -0.549 local terms energy: -484.067235 where: bonds (distance) C4'-P energy: -101.318 bonds (distance) P-C4' energy: -101.317 flat angles C4'-P-C4' energy: -107.235 flat angles P-C4'-P energy: -65.670 tors. eta vs tors. theta energy: -108.526 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: 2 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1346.692461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.692461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.692461 (E_RNA) where: Base-Base interactions energy: -888.771 where: short stacking energy: -400.577 Base-Backbone interact. energy: -3.837 local terms energy: -454.084789 where: bonds (distance) C4'-P energy: -90.972 bonds (distance) P-C4' energy: -88.454 flat angles C4'-P-C4' energy: -93.003 flat angles P-C4'-P energy: -63.626 tors. eta vs tors. theta energy: -118.029 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: 465 Temperature: 1.050000 Total energy: -1261.999357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.999357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.999357 (E_RNA) where: Base-Base interactions energy: -811.342 where: short stacking energy: -396.179 Base-Backbone interact. energy: 0.238 local terms energy: -450.895787 where: bonds (distance) C4'-P energy: -93.925 bonds (distance) P-C4' energy: -84.580 flat angles C4'-P-C4' energy: -99.461 flat angles P-C4'-P energy: -61.722 tors. eta vs tors. theta energy: -111.208 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: 5, replica: 7 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -1103.551507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.551507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.551507 (E_RNA) where: Base-Base interactions energy: -694.185 where: short stacking energy: -323.073 Base-Backbone interact. energy: -1.815 local terms energy: -407.551129 where: bonds (distance) C4'-P energy: -88.030 bonds (distance) P-C4' energy: -93.363 flat angles C4'-P-C4' energy: -94.232 flat angles P-C4'-P energy: -51.277 tors. eta vs tors. theta energy: -80.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -1060.077159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.077159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.077159 (E_RNA) where: Base-Base interactions energy: -682.023 where: short stacking energy: -306.540 Base-Backbone interact. energy: 1.491 local terms energy: -379.545106 where: bonds (distance) C4'-P energy: -72.459 bonds (distance) P-C4' energy: -92.105 flat angles C4'-P-C4' energy: -84.309 flat angles P-C4'-P energy: -55.366 tors. eta vs tors. theta energy: -75.306 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: 6 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -846.882888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.882888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.882888 (E_RNA) where: Base-Base interactions energy: -469.783 where: short stacking energy: -252.714 Base-Backbone interact. energy: -2.691 local terms energy: -374.409335 where: bonds (distance) C4'-P energy: -78.431 bonds (distance) P-C4' energy: -96.227 flat angles C4'-P-C4' energy: -89.915 flat angles P-C4'-P energy: -51.872 tors. eta vs tors. theta energy: -57.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -742.594805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.594805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.594805 (E_RNA) where: Base-Base interactions energy: -424.831 where: short stacking energy: -211.085 Base-Backbone interact. energy: 1.245 local terms energy: -319.008548 where: bonds (distance) C4'-P energy: -80.514 bonds (distance) P-C4' energy: -73.465 flat angles C4'-P-C4' energy: -84.509 flat angles P-C4'-P energy: -55.325 tors. eta vs tors. theta energy: -25.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -629.106408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.106408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.106408 (E_RNA) where: Base-Base interactions energy: -339.638 where: short stacking energy: -194.216 Base-Backbone interact. energy: 1.684 local terms energy: -291.151881 where: bonds (distance) C4'-P energy: -75.248 bonds (distance) P-C4' energy: -81.857 flat angles C4'-P-C4' energy: -77.264 flat angles P-C4'-P energy: -40.038 tors. eta vs tors. theta energy: -16.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -481.283528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.283528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.283528 (E_RNA) where: Base-Base interactions energy: -228.048 where: short stacking energy: -136.297 Base-Backbone interact. energy: -1.224 local terms energy: -252.010858 where: bonds (distance) C4'-P energy: -85.255 bonds (distance) P-C4' energy: -76.221 flat angles C4'-P-C4' energy: -53.354 flat angles P-C4'-P energy: -37.762 tors. eta vs tors. theta energy: 0.582 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: 1, replica: 9 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1571.288820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.288820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.288820 (E_RNA) where: Base-Base interactions energy: -1063.865 where: short stacking energy: -465.183 Base-Backbone interact. energy: -1.552 local terms energy: -505.871621 where: bonds (distance) C4'-P energy: -94.587 bonds (distance) P-C4' energy: -100.172 flat angles C4'-P-C4' energy: -111.681 flat angles P-C4'-P energy: -64.824 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: 10 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1339.571917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.571917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.571917 (E_RNA) where: Base-Base interactions energy: -861.610 where: short stacking energy: -417.855 Base-Backbone interact. energy: -0.496 local terms energy: -477.466054 where: bonds (distance) C4'-P energy: -84.643 bonds (distance) P-C4' energy: -98.933 flat angles C4'-P-C4' energy: -103.844 flat angles P-C4'-P energy: -70.127 tors. eta vs tors. theta energy: -119.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1358.969874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.969874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.969874 (E_RNA) where: Base-Base interactions energy: -904.655 where: short stacking energy: -419.582 Base-Backbone interact. energy: -0.065 local terms energy: -454.249713 where: bonds (distance) C4'-P energy: -84.294 bonds (distance) P-C4' energy: -93.264 flat angles C4'-P-C4' energy: -96.982 flat angles P-C4'-P energy: -59.234 tors. eta vs tors. theta energy: -120.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -1207.500239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.500239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.500239 (E_RNA) where: Base-Base interactions energy: -762.552 where: short stacking energy: -356.873 Base-Backbone interact. energy: -1.483 local terms energy: -443.465904 where: bonds (distance) C4'-P energy: -89.295 bonds (distance) P-C4' energy: -91.427 flat angles C4'-P-C4' energy: -102.214 flat angles P-C4'-P energy: -66.542 tors. eta vs tors. theta energy: -93.988 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: 1 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -1151.734338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.734338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.734338 (E_RNA) where: Base-Base interactions energy: -767.180 where: short stacking energy: -342.978 Base-Backbone interact. energy: 2.005 local terms energy: -386.558591 where: bonds (distance) C4'-P energy: -75.115 bonds (distance) P-C4' energy: -95.185 flat angles C4'-P-C4' energy: -87.211 flat angles P-C4'-P energy: -48.095 tors. eta vs tors. theta energy: -80.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -1062.916688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.916688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.916688 (E_RNA) where: Base-Base interactions energy: -660.160 where: short stacking energy: -296.108 Base-Backbone interact. energy: -1.479 local terms energy: -401.277722 where: bonds (distance) C4'-P energy: -78.316 bonds (distance) P-C4' energy: -85.086 flat angles C4'-P-C4' energy: -100.687 flat angles P-C4'-P energy: -69.120 tors. eta vs tors. theta energy: -68.070 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: 6 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -837.657331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.657331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.657331 (E_RNA) where: Base-Base interactions energy: -473.958 where: short stacking energy: -240.790 Base-Backbone interact. energy: 0.428 local terms energy: -364.127114 where: bonds (distance) C4'-P energy: -81.686 bonds (distance) P-C4' energy: -94.749 flat angles C4'-P-C4' energy: -84.808 flat angles P-C4'-P energy: -58.550 tors. eta vs tors. theta energy: -44.334 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: 3 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -732.529765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.529765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.529765 (E_RNA) where: Base-Base interactions energy: -426.065 where: short stacking energy: -202.080 Base-Backbone interact. energy: -2.932 local terms energy: -303.532197 where: bonds (distance) C4'-P energy: -82.680 bonds (distance) P-C4' energy: -72.123 flat angles C4'-P-C4' energy: -72.037 flat angles P-C4'-P energy: -45.176 tors. eta vs tors. theta energy: -31.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -594.077423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.077423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.077423 (E_RNA) where: Base-Base interactions energy: -302.592 where: short stacking energy: -166.246 Base-Backbone interact. energy: -0.510 local terms energy: -290.975755 where: bonds (distance) C4'-P energy: -87.418 bonds (distance) P-C4' energy: -90.657 flat angles C4'-P-C4' energy: -63.863 flat angles P-C4'-P energy: -42.934 tors. eta vs tors. theta energy: -6.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -489.095643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.095643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.095643 (E_RNA) where: Base-Base interactions energy: -219.434 where: short stacking energy: -123.273 Base-Backbone interact. energy: -0.968 local terms energy: -268.693229 where: bonds (distance) C4'-P energy: -79.564 bonds (distance) P-C4' energy: -81.317 flat angles C4'-P-C4' energy: -64.802 flat angles P-C4'-P energy: -46.453 tors. eta vs tors. theta energy: 3.442 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: 9 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1553.563537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.563537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.563537 (E_RNA) where: Base-Base interactions energy: -1041.868 where: short stacking energy: -438.489 Base-Backbone interact. energy: -2.113 local terms energy: -509.582639 where: bonds (distance) C4'-P energy: -97.707 bonds (distance) P-C4' energy: -104.856 flat angles C4'-P-C4' energy: -112.135 flat angles P-C4'-P energy: -70.910 tors. eta vs tors. theta energy: -123.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1405.871666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.871666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.871666 (E_RNA) where: Base-Base interactions energy: -938.978 where: short stacking energy: -434.144 Base-Backbone interact. energy: -1.188 local terms energy: -465.705219 where: bonds (distance) C4'-P energy: -93.017 bonds (distance) P-C4' energy: -90.250 flat angles C4'-P-C4' energy: -96.919 flat angles P-C4'-P energy: -66.438 tors. eta vs tors. theta energy: -119.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1332.676768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.676768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.676768 (E_RNA) where: Base-Base interactions energy: -881.215 where: short stacking energy: -426.632 Base-Backbone interact. energy: -3.515 local terms energy: -447.946999 where: bonds (distance) C4'-P energy: -84.585 bonds (distance) P-C4' energy: -84.359 flat angles C4'-P-C4' energy: -97.723 flat angles P-C4'-P energy: -68.147 tors. eta vs tors. theta energy: -113.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -1225.422872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.422872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.422872 (E_RNA) where: Base-Base interactions energy: -769.676 where: short stacking energy: -366.602 Base-Backbone interact. energy: -3.352 local terms energy: -452.394329 where: bonds (distance) C4'-P energy: -90.094 bonds (distance) P-C4' energy: -99.468 flat angles C4'-P-C4' energy: -107.409 flat angles P-C4'-P energy: -60.240 tors. eta vs tors. theta energy: -95.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -1138.060995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.060995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.060995 (E_RNA) where: Base-Base interactions energy: -727.855 where: short stacking energy: -319.218 Base-Backbone interact. energy: -1.379 local terms energy: -408.827660 where: bonds (distance) C4'-P energy: -89.487 bonds (distance) P-C4' energy: -94.769 flat angles C4'-P-C4' energy: -87.865 flat angles P-C4'-P energy: -52.258 tors. eta vs tors. theta energy: -84.448 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: 7 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -1035.762340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.762340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.762340 (E_RNA) where: Base-Base interactions energy: -652.160 where: short stacking energy: -288.910 Base-Backbone interact. energy: -1.958 local terms energy: -381.644058 where: bonds (distance) C4'-P energy: -78.549 bonds (distance) P-C4' energy: -93.278 flat angles C4'-P-C4' energy: -88.526 flat angles P-C4'-P energy: -60.576 tors. eta vs tors. theta energy: -60.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -833.715572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.715572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.715572 (E_RNA) where: Base-Base interactions energy: -484.787 where: short stacking energy: -236.106 Base-Backbone interact. energy: 3.841 local terms energy: -352.768918 where: bonds (distance) C4'-P energy: -94.514 bonds (distance) P-C4' energy: -79.515 flat angles C4'-P-C4' energy: -82.376 flat angles P-C4'-P energy: -60.331 tors. eta vs tors. theta energy: -36.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -679.675103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.675103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.675103 (E_RNA) where: Base-Base interactions energy: -387.635 where: short stacking energy: -177.420 Base-Backbone interact. energy: 2.274 local terms energy: -294.314106 where: bonds (distance) C4'-P energy: -77.645 bonds (distance) P-C4' energy: -86.230 flat angles C4'-P-C4' energy: -83.252 flat angles P-C4'-P energy: -41.246 tors. eta vs tors. theta energy: -5.941 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: 467 Temperature: 1.300000 Total energy: -598.305822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.305822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.305822 (E_RNA) where: Base-Base interactions energy: -305.526 where: short stacking energy: -182.729 Base-Backbone interact. energy: 1.440 local terms energy: -294.220317 where: bonds (distance) C4'-P energy: -85.653 bonds (distance) P-C4' energy: -88.174 flat angles C4'-P-C4' energy: -60.040 flat angles P-C4'-P energy: -58.436 tors. eta vs tors. theta energy: -1.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -487.690127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.690127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.690127 (E_RNA) where: Base-Base interactions energy: -209.946 where: short stacking energy: -135.052 Base-Backbone interact. energy: -1.466 local terms energy: -276.277838 where: bonds (distance) C4'-P energy: -89.319 bonds (distance) P-C4' energy: -85.676 flat angles C4'-P-C4' energy: -66.068 flat angles P-C4'-P energy: -38.327 tors. eta vs tors. theta energy: 3.113 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: 9 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1550.248960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.248960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.248960 (E_RNA) where: Base-Base interactions energy: -1042.172 where: short stacking energy: -480.974 Base-Backbone interact. energy: 2.951 local terms energy: -511.027747 where: bonds (distance) C4'-P energy: -97.154 bonds (distance) P-C4' energy: -89.013 flat angles C4'-P-C4' energy: -103.126 flat angles P-C4'-P energy: -82.124 tors. eta vs tors. theta energy: -139.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1391.941598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.941598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.941598 (E_RNA) where: Base-Base interactions energy: -889.704 where: short stacking energy: -388.532 Base-Backbone interact. energy: -1.560 local terms energy: -500.678089 where: bonds (distance) C4'-P energy: -106.492 bonds (distance) P-C4' energy: -92.525 flat angles C4'-P-C4' energy: -111.768 flat angles P-C4'-P energy: -76.419 tors. eta vs tors. theta energy: -113.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1359.603759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.603759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.603759 (E_RNA) where: Base-Base interactions energy: -882.496 where: short stacking energy: -422.755 Base-Backbone interact. energy: -3.171 local terms energy: -473.936914 where: bonds (distance) C4'-P energy: -84.793 bonds (distance) P-C4' energy: -91.766 flat angles C4'-P-C4' energy: -100.821 flat angles P-C4'-P energy: -75.413 tors. eta vs tors. theta energy: -121.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -1233.337606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.337606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.337606 (E_RNA) where: Base-Base interactions energy: -800.559 where: short stacking energy: -358.590 Base-Backbone interact. energy: -0.572 local terms energy: -432.206031 where: bonds (distance) C4'-P energy: -87.486 bonds (distance) P-C4' energy: -96.425 flat angles C4'-P-C4' energy: -103.544 flat angles P-C4'-P energy: -54.974 tors. eta vs tors. theta energy: -89.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -1161.796635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.796635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.796635 (E_RNA) where: Base-Base interactions energy: -749.170 where: short stacking energy: -367.097 Base-Backbone interact. energy: -0.676 local terms energy: -411.950426 where: bonds (distance) C4'-P energy: -83.143 bonds (distance) P-C4' energy: -88.209 flat angles C4'-P-C4' energy: -81.365 flat angles P-C4'-P energy: -53.940 tors. eta vs tors. theta energy: -105.294 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: 7 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -1067.305372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.305372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.305372 (E_RNA) where: Base-Base interactions energy: -693.161 where: short stacking energy: -301.083 Base-Backbone interact. energy: -3.687 local terms energy: -370.457489 where: bonds (distance) C4'-P energy: -67.172 bonds (distance) P-C4' energy: -75.695 flat angles C4'-P-C4' energy: -97.035 flat angles P-C4'-P energy: -54.298 tors. eta vs tors. theta energy: -76.257 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: 6 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -899.845476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.845476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.845476 (E_RNA) where: Base-Base interactions energy: -533.997 where: short stacking energy: -261.312 Base-Backbone interact. energy: -1.389 local terms energy: -364.459994 where: bonds (distance) C4'-P energy: -91.523 bonds (distance) P-C4' energy: -96.616 flat angles C4'-P-C4' energy: -81.893 flat angles P-C4'-P energy: -53.221 tors. eta vs tors. theta energy: -41.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -682.421143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.421143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.421143 (E_RNA) where: Base-Base interactions energy: -387.330 where: short stacking energy: -191.109 Base-Backbone interact. energy: -2.221 local terms energy: -292.869447 where: bonds (distance) C4'-P energy: -74.830 bonds (distance) P-C4' energy: -85.998 flat angles C4'-P-C4' energy: -79.011 flat angles P-C4'-P energy: -45.892 tors. eta vs tors. theta energy: -7.139 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: 8 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -546.680139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.680139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.680139 (E_RNA) where: Base-Base interactions energy: -258.298 where: short stacking energy: -151.834 Base-Backbone interact. energy: -1.410 local terms energy: -286.972092 where: bonds (distance) C4'-P energy: -79.777 bonds (distance) P-C4' energy: -84.754 flat angles C4'-P-C4' energy: -76.815 flat angles P-C4'-P energy: -22.966 tors. eta vs tors. theta energy: -22.661 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: 4 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -572.288260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.288260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.288260 (E_RNA) where: Base-Base interactions energy: -276.147 where: short stacking energy: -146.253 Base-Backbone interact. energy: 1.389 local terms energy: -297.529820 where: bonds (distance) C4'-P energy: -86.838 bonds (distance) P-C4' energy: -85.232 flat angles C4'-P-C4' energy: -72.223 flat angles P-C4'-P energy: -38.750 tors. eta vs tors. theta energy: -14.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1549.889246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.889246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.889246 (E_RNA) where: Base-Base interactions energy: -1026.349 where: short stacking energy: -474.384 Base-Backbone interact. energy: -2.135 local terms energy: -521.405354 where: bonds (distance) C4'-P energy: -97.870 bonds (distance) P-C4' energy: -101.776 flat angles C4'-P-C4' energy: -111.235 flat angles P-C4'-P energy: -68.765 tors. eta vs tors. theta energy: -141.760 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: 469 Temperature: 0.950000 Total energy: -1425.667770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.667770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.667770 (E_RNA) where: Base-Base interactions energy: -944.233 where: short stacking energy: -423.130 Base-Backbone interact. energy: 2.331 local terms energy: -483.765601 where: bonds (distance) C4'-P energy: -85.549 bonds (distance) P-C4' energy: -93.820 flat angles C4'-P-C4' energy: -108.880 flat angles P-C4'-P energy: -71.228 tors. eta vs tors. theta energy: -124.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1308.902187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.902187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.902187 (E_RNA) where: Base-Base interactions energy: -851.207 where: short stacking energy: -401.250 Base-Backbone interact. energy: -2.495 local terms energy: -455.200465 where: bonds (distance) C4'-P energy: -87.951 bonds (distance) P-C4' energy: -88.123 flat angles C4'-P-C4' energy: -90.219 flat angles P-C4'-P energy: -77.029 tors. eta vs tors. theta energy: -111.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1236.468238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.468238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.468238 (E_RNA) where: Base-Base interactions energy: -813.343 where: short stacking energy: -376.490 Base-Backbone interact. energy: -1.504 local terms energy: -421.620349 where: bonds (distance) C4'-P energy: -95.615 bonds (distance) P-C4' energy: -90.021 flat angles C4'-P-C4' energy: -94.304 flat angles P-C4'-P energy: -50.726 tors. eta vs tors. theta energy: -90.955 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: 5 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -1159.354825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.354825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.354825 (E_RNA) where: Base-Base interactions energy: -750.641 where: short stacking energy: -331.667 Base-Backbone interact. energy: 0.493 local terms energy: -409.207732 where: bonds (distance) C4'-P energy: -60.756 bonds (distance) P-C4' energy: -94.741 flat angles C4'-P-C4' energy: -88.582 flat angles P-C4'-P energy: -75.570 tors. eta vs tors. theta energy: -89.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -1038.768883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.768883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.768883 (E_RNA) where: Base-Base interactions energy: -645.935 where: short stacking energy: -303.774 Base-Backbone interact. energy: -0.998 local terms energy: -391.835893 where: bonds (distance) C4'-P energy: -78.132 bonds (distance) P-C4' energy: -87.322 flat angles C4'-P-C4' energy: -95.154 flat angles P-C4'-P energy: -61.701 tors. eta vs tors. theta energy: -69.527 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: 7, replica: 6 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -850.080217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.080217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.080217 (E_RNA) where: Base-Base interactions energy: -506.212 where: short stacking energy: -253.950 Base-Backbone interact. energy: 0.679 local terms energy: -344.547487 where: bonds (distance) C4'-P energy: -69.387 bonds (distance) P-C4' energy: -85.425 flat angles C4'-P-C4' energy: -79.794 flat angles P-C4'-P energy: -51.757 tors. eta vs tors. theta energy: -58.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -719.784948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.784948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.784948 (E_RNA) where: Base-Base interactions energy: -417.624 where: short stacking energy: -224.172 Base-Backbone interact. energy: -1.302 local terms energy: -300.859868 where: bonds (distance) C4'-P energy: -63.915 bonds (distance) P-C4' energy: -79.385 flat angles C4'-P-C4' energy: -83.644 flat angles P-C4'-P energy: -44.906 tors. eta vs tors. theta energy: -29.010 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: 9, replica: 8 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -536.327274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.327274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.327274 (E_RNA) where: Base-Base interactions energy: -275.947 where: short stacking energy: -152.239 Base-Backbone interact. energy: 3.899 local terms energy: -264.278972 where: bonds (distance) C4'-P energy: -51.515 bonds (distance) P-C4' energy: -70.565 flat angles C4'-P-C4' energy: -75.167 flat angles P-C4'-P energy: -51.797 tors. eta vs tors. theta energy: -15.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -554.145597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.145597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.145597 (E_RNA) where: Base-Base interactions energy: -277.358 where: short stacking energy: -168.360 Base-Backbone interact. energy: -2.763 local terms energy: -274.024609 where: bonds (distance) C4'-P energy: -79.909 bonds (distance) P-C4' energy: -70.830 flat angles C4'-P-C4' energy: -54.374 flat angles P-C4'-P energy: -52.804 tors. eta vs tors. theta energy: -16.107 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: 9 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1557.766595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.766595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.766595 (E_RNA) where: Base-Base interactions energy: -1051.741 where: short stacking energy: -478.596 Base-Backbone interact. energy: -1.988 local terms energy: -504.037075 where: bonds (distance) C4'-P energy: -91.730 bonds (distance) P-C4' energy: -94.782 flat angles C4'-P-C4' energy: -99.889 flat angles P-C4'-P energy: -71.020 tors. eta vs tors. theta energy: -146.616 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: 2 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1428.295553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.295553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.295553 (E_RNA) where: Base-Base interactions energy: -944.927 where: short stacking energy: -418.967 Base-Backbone interact. energy: -1.022 local terms energy: -482.346617 where: bonds (distance) C4'-P energy: -90.178 bonds (distance) P-C4' energy: -89.454 flat angles C4'-P-C4' energy: -110.408 flat angles P-C4'-P energy: -73.817 tors. eta vs tors. theta energy: -118.489 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: 3, replica: 10 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -1315.298255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.298255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.298255 (E_RNA) where: Base-Base interactions energy: -860.589 where: short stacking energy: -396.203 Base-Backbone interact. energy: -1.684 local terms energy: -453.025553 where: bonds (distance) C4'-P energy: -84.335 bonds (distance) P-C4' energy: -87.401 flat angles C4'-P-C4' energy: -103.865 flat angles P-C4'-P energy: -67.802 tors. eta vs tors. theta energy: -109.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -1236.112519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.112519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.112519 (E_RNA) where: Base-Base interactions energy: -797.445 where: short stacking energy: -365.585 Base-Backbone interact. energy: -2.092 local terms energy: -436.575638 where: bonds (distance) C4'-P energy: -86.467 bonds (distance) P-C4' energy: -89.282 flat angles C4'-P-C4' energy: -100.637 flat angles P-C4'-P energy: -65.061 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: 5, replica: 5 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -1175.667187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.667187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.667187 (E_RNA) where: Base-Base interactions energy: -751.013 where: short stacking energy: -347.730 Base-Backbone interact. energy: -1.871 local terms energy: -422.782889 where: bonds (distance) C4'-P energy: -79.195 bonds (distance) P-C4' energy: -89.297 flat angles C4'-P-C4' energy: -100.040 flat angles P-C4'-P energy: -59.020 tors. eta vs tors. theta energy: -95.231 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: 7 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -1048.685954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.685954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.685954 (E_RNA) where: Base-Base interactions energy: -655.601 where: short stacking energy: -293.438 Base-Backbone interact. energy: -2.667 local terms energy: -390.417413 where: bonds (distance) C4'-P energy: -85.824 bonds (distance) P-C4' energy: -79.232 flat angles C4'-P-C4' energy: -91.062 flat angles P-C4'-P energy: -63.216 tors. eta vs tors. theta energy: -71.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -764.914630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.914630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.914630 (E_RNA) where: Base-Base interactions energy: -442.245 where: short stacking energy: -236.480 Base-Backbone interact. energy: -0.921 local terms energy: -321.748835 where: bonds (distance) C4'-P energy: -76.942 bonds (distance) P-C4' energy: -92.107 flat angles C4'-P-C4' energy: -70.189 flat angles P-C4'-P energy: -43.065 tors. eta vs tors. theta energy: -39.446 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: 6 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -818.891272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.891272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.891272 (E_RNA) where: Base-Base interactions energy: -497.421 where: short stacking energy: -266.325 Base-Backbone interact. energy: -2.576 local terms energy: -318.894667 where: bonds (distance) C4'-P energy: -65.595 bonds (distance) P-C4' energy: -84.562 flat angles C4'-P-C4' energy: -85.998 flat angles P-C4'-P energy: -49.803 tors. eta vs tors. theta energy: -32.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -560.598687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.598687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.598687 (E_RNA) where: Base-Base interactions energy: -299.195 where: short stacking energy: -162.456 Base-Backbone interact. energy: 1.087 local terms energy: -262.490671 where: bonds (distance) C4'-P energy: -55.688 bonds (distance) P-C4' energy: -84.669 flat angles C4'-P-C4' energy: -64.023 flat angles P-C4'-P energy: -42.879 tors. eta vs tors. theta energy: -15.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -483.433853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.433853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.433853 (E_RNA) where: Base-Base interactions energy: -239.771 where: short stacking energy: -156.199 Base-Backbone interact. energy: 4.953 local terms energy: -248.616224 where: bonds (distance) C4'-P energy: -84.291 bonds (distance) P-C4' energy: -70.057 flat angles C4'-P-C4' energy: -62.961 flat angles P-C4'-P energy: -34.250 tors. eta vs tors. theta energy: 2.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1558.266793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.266793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.266793 (E_RNA) where: Base-Base interactions energy: -1040.714 where: short stacking energy: -471.412 Base-Backbone interact. energy: -3.652 local terms energy: -513.900530 where: bonds (distance) C4'-P energy: -97.841 bonds (distance) P-C4' energy: -96.534 flat angles C4'-P-C4' energy: -113.203 flat angles P-C4'-P energy: -70.048 tors. eta vs tors. theta energy: -136.276 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: 2 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -1414.152066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.152066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.152066 (E_RNA) where: Base-Base interactions energy: -932.247 where: short stacking energy: -413.117 Base-Backbone interact. energy: -0.218 local terms energy: -481.687152 where: bonds (distance) C4'-P energy: -92.364 bonds (distance) P-C4' energy: -96.516 flat angles C4'-P-C4' energy: -99.996 flat angles P-C4'-P energy: -64.991 tors. eta vs tors. theta energy: -127.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -1309.504080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.504080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.504080 (E_RNA) where: Base-Base interactions energy: -861.569 where: short stacking energy: -393.485 Base-Backbone interact. energy: -0.655 local terms energy: -447.280584 where: bonds (distance) C4'-P energy: -95.615 bonds (distance) P-C4' energy: -85.698 flat angles C4'-P-C4' energy: -94.229 flat angles P-C4'-P energy: -66.544 tors. eta vs tors. theta energy: -105.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -1242.396670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.396670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.396670 (E_RNA) where: Base-Base interactions energy: -805.628 where: short stacking energy: -395.387 Base-Backbone interact. energy: 1.056 local terms energy: -437.825213 where: bonds (distance) C4'-P energy: -89.673 bonds (distance) P-C4' energy: -77.228 flat angles C4'-P-C4' energy: -101.447 flat angles P-C4'-P energy: -66.044 tors. eta vs tors. theta energy: -103.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -1156.481999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.481999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.481999 (E_RNA) where: Base-Base interactions energy: -724.698 where: short stacking energy: -345.466 Base-Backbone interact. energy: -0.381 local terms energy: -431.403276 where: bonds (distance) C4'-P energy: -96.265 bonds (distance) P-C4' energy: -84.881 flat angles C4'-P-C4' energy: -95.508 flat angles P-C4'-P energy: -60.938 tors. eta vs tors. theta energy: -93.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -1052.228285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.228285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.228285 (E_RNA) where: Base-Base interactions energy: -666.864 where: short stacking energy: -298.838 Base-Backbone interact. energy: 0.412 local terms energy: -385.776718 where: bonds (distance) C4'-P energy: -83.568 bonds (distance) P-C4' energy: -84.222 flat angles C4'-P-C4' energy: -85.847 flat angles P-C4'-P energy: -56.676 tors. eta vs tors. theta energy: -75.463 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: 3 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -695.808302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.808302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.808302 (E_RNA) where: Base-Base interactions energy: -361.677 where: short stacking energy: -212.703 Base-Backbone interact. energy: -1.056 local terms energy: -333.074974 where: bonds (distance) C4'-P energy: -76.067 bonds (distance) P-C4' energy: -84.213 flat angles C4'-P-C4' energy: -92.493 flat angles P-C4'-P energy: -48.210 tors. eta vs tors. theta energy: -32.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -787.267132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.267132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.267132 (E_RNA) where: Base-Base interactions energy: -430.725 where: short stacking energy: -229.999 Base-Backbone interact. energy: 3.725 local terms energy: -360.267948 where: bonds (distance) C4'-P energy: -79.604 bonds (distance) P-C4' energy: -81.131 flat angles C4'-P-C4' energy: -100.350 flat angles P-C4'-P energy: -55.403 tors. eta vs tors. theta energy: -43.780 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: 471 Temperature: 1.300000 Total energy: -548.238998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.238998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.238998 (E_RNA) where: Base-Base interactions energy: -261.272 where: short stacking energy: -132.977 Base-Backbone interact. energy: -1.397 local terms energy: -285.570032 where: bonds (distance) C4'-P energy: -84.003 bonds (distance) P-C4' energy: -84.650 flat angles C4'-P-C4' energy: -77.845 flat angles P-C4'-P energy: -40.426 tors. eta vs tors. theta energy: 1.355 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: 10, replica: 8 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -482.416244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.416244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.416244 (E_RNA) where: Base-Base interactions energy: -240.545 where: short stacking energy: -156.469 Base-Backbone interact. energy: 2.676 local terms energy: -244.546530 where: bonds (distance) C4'-P energy: -68.227 bonds (distance) P-C4' energy: -74.071 flat angles C4'-P-C4' energy: -64.397 flat angles P-C4'-P energy: -34.972 tors. eta vs tors. theta energy: -2.880 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: 9 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1577.006920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.006920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.006920 (E_RNA) where: Base-Base interactions energy: -1057.782 where: short stacking energy: -465.977 Base-Backbone interact. energy: -3.272 local terms energy: -515.952761 where: bonds (distance) C4'-P energy: -96.967 bonds (distance) P-C4' energy: -104.765 flat angles C4'-P-C4' energy: -106.618 flat angles P-C4'-P energy: -67.346 tors. eta vs tors. theta energy: -140.257 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: 2 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1409.613494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.613494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.613494 (E_RNA) where: Base-Base interactions energy: -948.284 where: short stacking energy: -426.722 Base-Backbone interact. energy: -1.507 local terms energy: -459.822207 where: bonds (distance) C4'-P energy: -91.714 bonds (distance) P-C4' energy: -84.418 flat angles C4'-P-C4' energy: -99.515 flat angles P-C4'-P energy: -68.400 tors. eta vs tors. theta energy: -115.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1301.860130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.860130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.860130 (E_RNA) where: Base-Base interactions energy: -864.239 where: short stacking energy: -383.274 Base-Backbone interact. energy: -1.022 local terms energy: -436.598848 where: bonds (distance) C4'-P energy: -84.730 bonds (distance) P-C4' energy: -103.882 flat angles C4'-P-C4' energy: -94.307 flat angles P-C4'-P energy: -50.546 tors. eta vs tors. theta energy: -103.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -1234.504878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.504878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.504878 (E_RNA) where: Base-Base interactions energy: -782.084 where: short stacking energy: -373.464 Base-Backbone interact. energy: -1.556 local terms energy: -450.864322 where: bonds (distance) C4'-P energy: -96.318 bonds (distance) P-C4' energy: -96.556 flat angles C4'-P-C4' energy: -99.889 flat angles P-C4'-P energy: -64.695 tors. eta vs tors. theta energy: -93.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -1147.057991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.057991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.057991 (E_RNA) where: Base-Base interactions energy: -741.712 where: short stacking energy: -351.526 Base-Backbone interact. energy: -0.564 local terms energy: -404.782417 where: bonds (distance) C4'-P energy: -79.739 bonds (distance) P-C4' energy: -90.513 flat angles C4'-P-C4' energy: -78.324 flat angles P-C4'-P energy: -56.861 tors. eta vs tors. theta energy: -99.346 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: 7 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -1060.964516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.964516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.964516 (E_RNA) where: Base-Base interactions energy: -689.508 where: short stacking energy: -331.428 Base-Backbone interact. energy: -2.315 local terms energy: -369.140741 where: bonds (distance) C4'-P energy: -67.627 bonds (distance) P-C4' energy: -83.996 flat angles C4'-P-C4' energy: -82.438 flat angles P-C4'-P energy: -51.046 tors. eta vs tors. theta energy: -84.034 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: 6 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -762.431516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.431516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.431516 (E_RNA) where: Base-Base interactions energy: -435.357 where: short stacking energy: -249.164 Base-Backbone interact. energy: -0.857 local terms energy: -326.217198 where: bonds (distance) C4'-P energy: -85.906 bonds (distance) P-C4' energy: -81.324 flat angles C4'-P-C4' energy: -89.964 flat angles P-C4'-P energy: -38.450 tors. eta vs tors. theta energy: -30.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -652.901488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.901488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.901488 (E_RNA) where: Base-Base interactions energy: -347.742 where: short stacking energy: -178.093 Base-Backbone interact. energy: -0.445 local terms energy: -304.714856 where: bonds (distance) C4'-P energy: -85.696 bonds (distance) P-C4' energy: -81.764 flat angles C4'-P-C4' energy: -63.323 flat angles P-C4'-P energy: -47.991 tors. eta vs tors. theta energy: -25.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -506.310309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.310309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.310309 (E_RNA) where: Base-Base interactions energy: -250.133 where: short stacking energy: -156.202 Base-Backbone interact. energy: -0.661 local terms energy: -255.516143 where: bonds (distance) C4'-P energy: -66.823 bonds (distance) P-C4' energy: -69.395 flat angles C4'-P-C4' energy: -64.074 flat angles P-C4'-P energy: -48.129 tors. eta vs tors. theta energy: -7.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -539.430280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.430280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.430280 (E_RNA) where: Base-Base interactions energy: -249.750 where: short stacking energy: -157.701 Base-Backbone interact. energy: 5.449 local terms energy: -295.128797 where: bonds (distance) C4'-P energy: -77.327 bonds (distance) P-C4' energy: -89.154 flat angles C4'-P-C4' energy: -78.745 flat angles P-C4'-P energy: -46.214 tors. eta vs tors. theta energy: -3.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -1559.631472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.631472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.631472 (E_RNA) where: Base-Base interactions energy: -1038.935 where: short stacking energy: -491.029 Base-Backbone interact. energy: -2.555 local terms energy: -518.141537 where: bonds (distance) C4'-P energy: -96.856 bonds (distance) P-C4' energy: -98.173 flat angles C4'-P-C4' energy: -113.867 flat angles P-C4'-P energy: -67.585 tors. eta vs tors. theta energy: -141.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -1425.301929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.301929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.301929 (E_RNA) where: Base-Base interactions energy: -958.419 where: short stacking energy: -444.100 Base-Backbone interact. energy: 0.574 local terms energy: -467.457103 where: bonds (distance) C4'-P energy: -86.947 bonds (distance) P-C4' energy: -90.143 flat angles C4'-P-C4' energy: -103.405 flat angles P-C4'-P energy: -56.635 tors. eta vs tors. theta energy: -130.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -1299.840328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.840328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.840328 (E_RNA) where: Base-Base interactions energy: -843.990 where: short stacking energy: -406.714 Base-Backbone interact. energy: -2.764 local terms energy: -453.086848 where: bonds (distance) C4'-P energy: -90.175 bonds (distance) P-C4' energy: -85.649 flat angles C4'-P-C4' energy: -104.282 flat angles P-C4'-P energy: -66.333 tors. eta vs tors. theta energy: -106.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -1244.950637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.950637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.950637 (E_RNA) where: Base-Base interactions energy: -814.578 where: short stacking energy: -386.514 Base-Backbone interact. energy: -3.014 local terms energy: -427.358293 where: bonds (distance) C4'-P energy: -74.663 bonds (distance) P-C4' energy: -89.218 flat angles C4'-P-C4' energy: -94.480 flat angles P-C4'-P energy: -63.822 tors. eta vs tors. theta energy: -105.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -1182.071159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.071159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.071159 (E_RNA) where: Base-Base interactions energy: -771.827 where: short stacking energy: -367.559 Base-Backbone interact. energy: 0.526 local terms energy: -410.769981 where: bonds (distance) C4'-P energy: -86.746 bonds (distance) P-C4' energy: -83.550 flat angles C4'-P-C4' energy: -91.402 flat angles P-C4'-P energy: -50.819 tors. eta vs tors. theta energy: -98.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -1055.027228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.027228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.027228 (E_RNA) where: Base-Base interactions energy: -678.695 where: short stacking energy: -314.384 Base-Backbone interact. energy: -0.510 local terms energy: -375.823092 where: bonds (distance) C4'-P energy: -72.802 bonds (distance) P-C4' energy: -91.297 flat angles C4'-P-C4' energy: -89.290 flat angles P-C4'-P energy: -50.766 tors. eta vs tors. theta energy: -71.669 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: 7, replica: 6 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -848.381077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.381077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.381077 (E_RNA) where: Base-Base interactions energy: -510.103 where: short stacking energy: -248.764 Base-Backbone interact. energy: -2.601 local terms energy: -335.676218 where: bonds (distance) C4'-P energy: -85.399 bonds (distance) P-C4' energy: -80.114 flat angles C4'-P-C4' energy: -70.881 flat angles P-C4'-P energy: -53.496 tors. eta vs tors. theta energy: -45.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -538.407040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.407040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.407040 (E_RNA) where: Base-Base interactions energy: -262.864 where: short stacking energy: -161.662 Base-Backbone interact. energy: -0.814 local terms energy: -274.728787 where: bonds (distance) C4'-P energy: -67.202 bonds (distance) P-C4' energy: -89.801 flat angles C4'-P-C4' energy: -62.777 flat angles P-C4'-P energy: -46.033 tors. eta vs tors. theta energy: -8.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -611.113875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.113875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.113875 (E_RNA) where: Base-Base interactions energy: -312.973 where: short stacking energy: -167.356 Base-Backbone interact. energy: -1.750 local terms energy: -296.391364 where: bonds (distance) C4'-P energy: -80.563 bonds (distance) P-C4' energy: -75.793 flat angles C4'-P-C4' energy: -75.118 flat angles P-C4'-P energy: -47.730 tors. eta vs tors. theta energy: -17.187 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: 4 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -510.455890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.455890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.455890 (E_RNA) where: Base-Base interactions energy: -232.124 where: short stacking energy: -153.280 Base-Backbone interact. energy: 1.948 local terms energy: -280.279342 where: bonds (distance) C4'-P energy: -81.065 bonds (distance) P-C4' energy: -87.663 flat angles C4'-P-C4' energy: -60.992 flat angles P-C4'-P energy: -38.491 tors. eta vs tors. theta energy: -12.070 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: 9 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -1550.578178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.578178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.578178 (E_RNA) where: Base-Base interactions energy: -1036.440 where: short stacking energy: -472.967 Base-Backbone interact. energy: -2.535 local terms energy: -511.602971 where: bonds (distance) C4'-P energy: -99.976 bonds (distance) P-C4' energy: -98.194 flat angles C4'-P-C4' energy: -97.290 flat angles P-C4'-P energy: -73.672 tors. eta vs tors. theta energy: -142.470 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: 2 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -1388.537207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.537207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.537207 (E_RNA) where: Base-Base interactions energy: -910.015 where: short stacking energy: -414.486 Base-Backbone interact. energy: -4.551 local terms energy: -473.971246 where: bonds (distance) C4'-P energy: -86.190 bonds (distance) P-C4' energy: -90.157 flat angles C4'-P-C4' energy: -106.857 flat angles P-C4'-P energy: -72.525 tors. eta vs tors. theta energy: -118.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -1286.378429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.378429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.378429 (E_RNA) where: Base-Base interactions energy: -846.602 where: short stacking energy: -405.458 Base-Backbone interact. energy: -0.645 local terms energy: -439.131550 where: bonds (distance) C4'-P energy: -84.572 bonds (distance) P-C4' energy: -81.680 flat angles C4'-P-C4' energy: -100.291 flat angles P-C4'-P energy: -61.082 tors. eta vs tors. theta energy: -111.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -1223.235750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.235750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.235750 (E_RNA) where: Base-Base interactions energy: -785.413 where: short stacking energy: -378.939 Base-Backbone interact. energy: -0.490 local terms energy: -437.332789 where: bonds (distance) C4'-P energy: -75.012 bonds (distance) P-C4' energy: -98.681 flat angles C4'-P-C4' energy: -94.032 flat angles P-C4'-P energy: -70.695 tors. eta vs tors. theta energy: -98.913 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: 474 Temperature: 1.100000 Total energy: -1223.350773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.350773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.350773 (E_RNA) where: Base-Base interactions energy: -800.822 where: short stacking energy: -358.037 Base-Backbone interact. energy: 2.164 local terms energy: -424.692054 where: bonds (distance) C4'-P energy: -81.006 bonds (distance) P-C4' energy: -93.129 flat angles C4'-P-C4' energy: -91.825 flat angles P-C4'-P energy: -61.916 tors. eta vs tors. theta energy: -96.817 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: 6, replica: 7 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -1019.797796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.797796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.797796 (E_RNA) where: Base-Base interactions energy: -662.221 where: short stacking energy: -302.047 Base-Backbone interact. energy: 0.861 local terms energy: -358.437351 where: bonds (distance) C4'-P energy: -77.675 bonds (distance) P-C4' energy: -84.777 flat angles C4'-P-C4' energy: -91.396 flat angles P-C4'-P energy: -44.214 tors. eta vs tors. theta energy: -60.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -887.989589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.989589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.989589 (E_RNA) where: Base-Base interactions energy: -561.389 where: short stacking energy: -266.810 Base-Backbone interact. energy: -0.720 local terms energy: -325.880227 where: bonds (distance) C4'-P energy: -66.707 bonds (distance) P-C4' energy: -85.024 flat angles C4'-P-C4' energy: -77.153 flat angles P-C4'-P energy: -36.640 tors. eta vs tors. theta energy: -60.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -563.870893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.870893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.870893 (E_RNA) where: Base-Base interactions energy: -269.345 where: short stacking energy: -172.452 Base-Backbone interact. energy: -1.506 local terms energy: -293.020555 where: bonds (distance) C4'-P energy: -83.854 bonds (distance) P-C4' energy: -79.994 flat angles C4'-P-C4' energy: -70.464 flat angles P-C4'-P energy: -48.953 tors. eta vs tors. theta energy: -9.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -616.425264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.425264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.425264 (E_RNA) where: Base-Base interactions energy: -311.518 where: short stacking energy: -143.191 Base-Backbone interact. energy: 0.766 local terms energy: -305.672520 where: bonds (distance) C4'-P energy: -92.552 bonds (distance) P-C4' energy: -84.830 flat angles C4'-P-C4' energy: -76.370 flat angles P-C4'-P energy: -48.618 tors. eta vs tors. theta energy: -3.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -547.374244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.374244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.374244 (E_RNA) where: Base-Base interactions energy: -297.510 where: short stacking energy: -155.611 Base-Backbone interact. energy: 4.420 local terms energy: -254.283828 where: bonds (distance) C4'-P energy: -72.824 bonds (distance) P-C4' energy: -62.719 flat angles C4'-P-C4' energy: -78.210 flat angles P-C4'-P energy: -41.726 tors. eta vs tors. theta energy: 1.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -1608.105611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.105611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.105611 (E_RNA) where: Base-Base interactions energy: -1112.979 where: short stacking energy: -499.001 Base-Backbone interact. energy: -3.460 local terms energy: -491.666217 where: bonds (distance) C4'-P energy: -87.710 bonds (distance) P-C4' energy: -101.935 flat angles C4'-P-C4' energy: -102.084 flat angles P-C4'-P energy: -60.332 tors. eta vs tors. theta energy: -139.606 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: 2 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -1414.382981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.382981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.382981 (E_RNA) where: Base-Base interactions energy: -947.836 where: short stacking energy: -428.244 Base-Backbone interact. energy: -0.948 local terms energy: -465.598580 where: bonds (distance) C4'-P energy: -94.368 bonds (distance) P-C4' energy: -87.260 flat angles C4'-P-C4' energy: -89.014 flat angles P-C4'-P energy: -62.876 tors. eta vs tors. theta energy: -132.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -1292.359272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.359272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.359272 (E_RNA) where: Base-Base interactions energy: -828.636 where: short stacking energy: -416.136 Base-Backbone interact. energy: -1.197 local terms energy: -462.526001 where: bonds (distance) C4'-P energy: -94.326 bonds (distance) P-C4' energy: -88.158 flat angles C4'-P-C4' energy: -99.454 flat angles P-C4'-P energy: -60.088 tors. eta vs tors. theta energy: -120.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -1177.023003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.023003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.023003 (E_RNA) where: Base-Base interactions energy: -778.885 where: short stacking energy: -342.958 Base-Backbone interact. energy: 0.214 local terms energy: -398.351793 where: bonds (distance) C4'-P energy: -83.700 bonds (distance) P-C4' energy: -94.863 flat angles C4'-P-C4' energy: -78.585 flat angles P-C4'-P energy: -63.971 tors. eta vs tors. theta energy: -77.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -1204.152372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.152372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.152372 (E_RNA) where: Base-Base interactions energy: -794.569 where: short stacking energy: -353.023 Base-Backbone interact. energy: -1.083 local terms energy: -408.500748 where: bonds (distance) C4'-P energy: -75.652 bonds (distance) P-C4' energy: -87.435 flat angles C4'-P-C4' energy: -93.238 flat angles P-C4'-P energy: -57.512 tors. eta vs tors. theta energy: -94.663 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: 7 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -1052.999849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.999849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.999849 (E_RNA) where: Base-Base interactions energy: -669.947 where: short stacking energy: -304.712 Base-Backbone interact. energy: 3.723 local terms energy: -386.776076 where: bonds (distance) C4'-P energy: -88.998 bonds (distance) P-C4' energy: -90.759 flat angles C4'-P-C4' energy: -97.807 flat angles P-C4'-P energy: -54.537 tors. eta vs tors. theta energy: -54.676 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: 6 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -879.770887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.770887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.770887 (E_RNA) where: Base-Base interactions energy: -540.851 where: short stacking energy: -235.948 Base-Backbone interact. energy: -2.508 local terms energy: -336.411227 where: bonds (distance) C4'-P energy: -65.016 bonds (distance) P-C4' energy: -89.060 flat angles C4'-P-C4' energy: -78.317 flat angles P-C4'-P energy: -64.191 tors. eta vs tors. theta energy: -39.827 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: 3 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -651.892940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.892940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.892940 (E_RNA) where: Base-Base interactions energy: -350.198 where: short stacking energy: -176.695 Base-Backbone interact. energy: 2.361 local terms energy: -304.055101 where: bonds (distance) C4'-P energy: -76.975 bonds (distance) P-C4' energy: -82.036 flat angles C4'-P-C4' energy: -86.285 flat angles P-C4'-P energy: -46.934 tors. eta vs tors. theta energy: -11.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -546.697267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.697267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.697267 (E_RNA) where: Base-Base interactions energy: -265.977 where: short stacking energy: -147.110 Base-Backbone interact. energy: -1.641 local terms energy: -279.079388 where: bonds (distance) C4'-P energy: -74.724 bonds (distance) P-C4' energy: -87.278 flat angles C4'-P-C4' energy: -63.733 flat angles P-C4'-P energy: -39.090 tors. eta vs tors. theta energy: -14.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -525.067286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.067286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.067286 (E_RNA) where: Base-Base interactions energy: -251.179 where: short stacking energy: -139.919 Base-Backbone interact. energy: 1.646 local terms energy: -275.534698 where: bonds (distance) C4'-P energy: -65.704 bonds (distance) P-C4' energy: -79.845 flat angles C4'-P-C4' energy: -66.733 flat angles P-C4'-P energy: -43.309 tors. eta vs tors. theta energy: -19.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -1571.996592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.996592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.996592 (E_RNA) where: Base-Base interactions energy: -1063.353 where: short stacking energy: -492.695 Base-Backbone interact. energy: -0.907 local terms energy: -507.737199 where: bonds (distance) C4'-P energy: -98.005 bonds (distance) P-C4' energy: -89.221 flat angles C4'-P-C4' energy: -111.013 flat angles P-C4'-P energy: -72.737 tors. eta vs tors. theta energy: -136.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -1398.425851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.425851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.425851 (E_RNA) where: Base-Base interactions energy: -907.912 where: short stacking energy: -418.327 Base-Backbone interact. energy: 0.657 local terms energy: -491.170842 where: bonds (distance) C4'-P energy: -104.173 bonds (distance) P-C4' energy: -98.081 flat angles C4'-P-C4' energy: -97.962 flat angles P-C4'-P energy: -63.691 tors. eta vs tors. theta energy: -127.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -1292.193729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.193729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.193729 (E_RNA) where: Base-Base interactions energy: -844.749 where: short stacking energy: -430.115 Base-Backbone interact. energy: -0.398 local terms energy: -447.046457 where: bonds (distance) C4'-P energy: -88.001 bonds (distance) P-C4' energy: -93.415 flat angles C4'-P-C4' energy: -105.813 flat angles P-C4'-P energy: -49.287 tors. eta vs tors. theta energy: -110.531 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: 1 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -1194.635050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.635050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.635050 (E_RNA) where: Base-Base interactions energy: -778.003 where: short stacking energy: -337.794 Base-Backbone interact. energy: -1.224 local terms energy: -415.407782 where: bonds (distance) C4'-P energy: -84.987 bonds (distance) P-C4' energy: -93.488 flat angles C4'-P-C4' energy: -88.560 flat angles P-C4'-P energy: -64.412 tors. eta vs tors. theta energy: -83.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -1162.899277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.899277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.899277 (E_RNA) where: Base-Base interactions energy: -746.451 where: short stacking energy: -347.031 Base-Backbone interact. energy: -0.160 local terms energy: -416.287787 where: bonds (distance) C4'-P energy: -89.851 bonds (distance) P-C4' energy: -87.842 flat angles C4'-P-C4' energy: -88.826 flat angles P-C4'-P energy: -55.693 tors. eta vs tors. theta energy: -94.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -1026.134283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.134283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.134283 (E_RNA) where: Base-Base interactions energy: -654.802 where: short stacking energy: -315.860 Base-Backbone interact. energy: -0.325 local terms energy: -371.006830 where: bonds (distance) C4'-P energy: -68.753 bonds (distance) P-C4' energy: -87.423 flat angles C4'-P-C4' energy: -84.405 flat angles P-C4'-P energy: -61.301 tors. eta vs tors. theta energy: -69.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -858.074823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.074823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.074823 (E_RNA) where: Base-Base interactions energy: -516.040 where: short stacking energy: -243.813 Base-Backbone interact. energy: -1.993 local terms energy: -340.041517 where: bonds (distance) C4'-P energy: -78.692 bonds (distance) P-C4' energy: -90.108 flat angles C4'-P-C4' energy: -80.977 flat angles P-C4'-P energy: -54.579 tors. eta vs tors. theta energy: -35.685 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: 3 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -653.192962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.192962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.192962 (E_RNA) where: Base-Base interactions energy: -360.611 where: short stacking energy: -210.636 Base-Backbone interact. energy: 4.387 local terms energy: -296.968384 where: bonds (distance) C4'-P energy: -85.726 bonds (distance) P-C4' energy: -88.288 flat angles C4'-P-C4' energy: -71.084 flat angles P-C4'-P energy: -31.828 tors. eta vs tors. theta energy: -20.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -533.997556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.997556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.997556 (E_RNA) where: Base-Base interactions energy: -246.055 where: short stacking energy: -152.146 Base-Backbone interact. energy: -2.973 local terms energy: -284.969787 where: bonds (distance) C4'-P energy: -87.945 bonds (distance) P-C4' energy: -74.032 flat angles C4'-P-C4' energy: -85.172 flat angles P-C4'-P energy: -40.204 tors. eta vs tors. theta energy: 2.383 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: 4 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -509.495542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.495542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.495542 (E_RNA) where: Base-Base interactions energy: -223.149 where: short stacking energy: -128.004 Base-Backbone interact. energy: -0.561 local terms energy: -285.786231 where: bonds (distance) C4'-P energy: -63.293 bonds (distance) P-C4' energy: -94.059 flat angles C4'-P-C4' energy: -73.094 flat angles P-C4'-P energy: -51.241 tors. eta vs tors. theta energy: -4.099 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: 9 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -1575.111187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.111187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.111187 (E_RNA) where: Base-Base interactions energy: -1078.656 where: short stacking energy: -473.779 Base-Backbone interact. energy: -1.727 local terms energy: -494.728987 where: bonds (distance) C4'-P energy: -84.899 bonds (distance) P-C4' energy: -102.701 flat angles C4'-P-C4' energy: -91.584 flat angles P-C4'-P energy: -76.151 tors. eta vs tors. theta energy: -139.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -1369.991795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.991795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.991795 (E_RNA) where: Base-Base interactions energy: -890.557 where: short stacking energy: -393.173 Base-Backbone interact. energy: -3.094 local terms energy: -476.341563 where: bonds (distance) C4'-P energy: -95.130 bonds (distance) P-C4' energy: -96.375 flat angles C4'-P-C4' energy: -107.244 flat angles P-C4'-P energy: -55.447 tors. eta vs tors. theta energy: -122.145 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: 10 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -1277.325111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.325111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.325111 (E_RNA) where: Base-Base interactions energy: -824.315 where: short stacking energy: -392.417 Base-Backbone interact. energy: 1.664 local terms energy: -454.674326 where: bonds (distance) C4'-P energy: -95.452 bonds (distance) P-C4' energy: -94.408 flat angles C4'-P-C4' energy: -92.332 flat angles P-C4'-P energy: -63.852 tors. eta vs tors. theta energy: -108.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -1215.834887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.834887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.834887 (E_RNA) where: Base-Base interactions energy: -781.671 where: short stacking energy: -369.943 Base-Backbone interact. energy: -1.675 local terms energy: -432.488387 where: bonds (distance) C4'-P energy: -88.409 bonds (distance) P-C4' energy: -95.238 flat angles C4'-P-C4' energy: -95.731 flat angles P-C4'-P energy: -60.881 tors. eta vs tors. theta energy: -92.229 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: 5 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -1185.548214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.548214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.548214 (E_RNA) where: Base-Base interactions energy: -761.475 where: short stacking energy: -336.342 Base-Backbone interact. energy: -0.942 local terms energy: -423.132149 where: bonds (distance) C4'-P energy: -82.732 bonds (distance) P-C4' energy: -79.783 flat angles C4'-P-C4' energy: -96.503 flat angles P-C4'-P energy: -69.951 tors. eta vs tors. theta energy: -94.164 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: 7 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -1066.572787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.572787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.572787 (E_RNA) where: Base-Base interactions energy: -671.029 where: short stacking energy: -303.679 Base-Backbone interact. energy: -0.965 local terms energy: -394.578546 where: bonds (distance) C4'-P energy: -92.289 bonds (distance) P-C4' energy: -86.156 flat angles C4'-P-C4' energy: -86.553 flat angles P-C4'-P energy: -60.548 tors. eta vs tors. theta energy: -69.033 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: 6 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -895.608516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.608516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.608516 (E_RNA) where: Base-Base interactions energy: -550.955 where: short stacking energy: -239.505 Base-Backbone interact. energy: 0.918 local terms energy: -345.571329 where: bonds (distance) C4'-P energy: -80.171 bonds (distance) P-C4' energy: -86.675 flat angles C4'-P-C4' energy: -89.818 flat angles P-C4'-P energy: -53.611 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: 477 Temperature: 1.250000 Total energy: -660.231283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.231283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.231283 (E_RNA) where: Base-Base interactions energy: -355.564 where: short stacking energy: -193.238 Base-Backbone interact. energy: -0.991 local terms energy: -303.676433 where: bonds (distance) C4'-P energy: -81.750 bonds (distance) P-C4' energy: -88.318 flat angles C4'-P-C4' energy: -74.731 flat angles P-C4'-P energy: -37.329 tors. eta vs tors. theta energy: -21.547 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: 9, replica: 8 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -531.863245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.863245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.863245 (E_RNA) where: Base-Base interactions energy: -256.283 where: short stacking energy: -172.929 Base-Backbone interact. energy: -1.763 local terms energy: -273.817097 where: bonds (distance) C4'-P energy: -72.980 bonds (distance) P-C4' energy: -89.763 flat angles C4'-P-C4' energy: -60.933 flat angles P-C4'-P energy: -41.893 tors. eta vs tors. theta energy: -8.248 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: 4 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -520.251021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.251021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.251021 (E_RNA) where: Base-Base interactions energy: -264.853 where: short stacking energy: -143.605 Base-Backbone interact. energy: -0.440 local terms energy: -254.958824 where: bonds (distance) C4'-P energy: -71.486 bonds (distance) P-C4' energy: -73.790 flat angles C4'-P-C4' energy: -73.098 flat angles P-C4'-P energy: -32.072 tors. eta vs tors. theta energy: -4.512 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: 9 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -1579.061213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.061213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.061213 (E_RNA) where: Base-Base interactions energy: -1074.686 where: short stacking energy: -488.124 Base-Backbone interact. energy: -1.637 local terms energy: -502.737421 where: bonds (distance) C4'-P energy: -88.789 bonds (distance) P-C4' energy: -98.054 flat angles C4'-P-C4' energy: -105.543 flat angles P-C4'-P energy: -77.713 tors. eta vs tors. theta energy: -132.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -1379.115030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.115030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.115030 (E_RNA) where: Base-Base interactions energy: -889.435 where: short stacking energy: -407.375 Base-Backbone interact. energy: -0.504 local terms energy: -489.175845 where: bonds (distance) C4'-P energy: -87.837 bonds (distance) P-C4' energy: -105.124 flat angles C4'-P-C4' energy: -109.760 flat angles P-C4'-P energy: -66.705 tors. eta vs tors. theta energy: -119.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -1258.139563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.139563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.139563 (E_RNA) where: Base-Base interactions energy: -824.175 where: short stacking energy: -368.728 Base-Backbone interact. energy: -0.718 local terms energy: -433.247098 where: bonds (distance) C4'-P energy: -95.748 bonds (distance) P-C4' energy: -90.914 flat angles C4'-P-C4' energy: -88.601 flat angles P-C4'-P energy: -60.584 tors. eta vs tors. theta energy: -97.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -1209.289059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.289059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.289059 (E_RNA) where: Base-Base interactions energy: -778.553 where: short stacking energy: -373.020 Base-Backbone interact. energy: -1.579 local terms energy: -429.157057 where: bonds (distance) C4'-P energy: -95.824 bonds (distance) P-C4' energy: -75.541 flat angles C4'-P-C4' energy: -93.323 flat angles P-C4'-P energy: -66.982 tors. eta vs tors. theta energy: -97.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -1185.192517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.192517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.192517 (E_RNA) where: Base-Base interactions energy: -770.026 where: short stacking energy: -317.977 Base-Backbone interact. energy: -2.160 local terms energy: -413.005952 where: bonds (distance) C4'-P energy: -81.709 bonds (distance) P-C4' energy: -87.529 flat angles C4'-P-C4' energy: -92.597 flat angles P-C4'-P energy: -59.537 tors. eta vs tors. theta energy: -91.633 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: 7 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -1060.875286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.875286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.875286 (E_RNA) where: Base-Base interactions energy: -697.129 where: short stacking energy: -305.318 Base-Backbone interact. energy: -2.164 local terms energy: -361.581671 where: bonds (distance) C4'-P energy: -67.304 bonds (distance) P-C4' energy: -95.560 flat angles C4'-P-C4' energy: -75.668 flat angles P-C4'-P energy: -53.639 tors. eta vs tors. theta energy: -69.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -859.124468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.124468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.124468 (E_RNA) where: Base-Base interactions energy: -533.627 where: short stacking energy: -246.463 Base-Backbone interact. energy: 2.325 local terms energy: -327.822154 where: bonds (distance) C4'-P energy: -80.429 bonds (distance) P-C4' energy: -87.828 flat angles C4'-P-C4' energy: -87.075 flat angles P-C4'-P energy: -29.118 tors. eta vs tors. theta energy: -43.372 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: 3 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -679.487001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.487001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.487001 (E_RNA) where: Base-Base interactions energy: -378.183 where: short stacking energy: -198.315 Base-Backbone interact. energy: -0.794 local terms energy: -300.509275 where: bonds (distance) C4'-P energy: -71.738 bonds (distance) P-C4' energy: -113.735 flat angles C4'-P-C4' energy: -66.821 flat angles P-C4'-P energy: -33.186 tors. eta vs tors. theta energy: -15.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -537.437819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.437819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.437819 (E_RNA) where: Base-Base interactions energy: -248.887 where: short stacking energy: -163.635 Base-Backbone interact. energy: 0.544 local terms energy: -289.094973 where: bonds (distance) C4'-P energy: -80.591 bonds (distance) P-C4' energy: -84.163 flat angles C4'-P-C4' energy: -74.780 flat angles P-C4'-P energy: -40.498 tors. eta vs tors. theta energy: -9.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -477.748933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.748933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.748933 (E_RNA) where: Base-Base interactions energy: -232.224 where: short stacking energy: -139.198 Base-Backbone interact. energy: 0.916 local terms energy: -246.440855 where: bonds (distance) C4'-P energy: -70.282 bonds (distance) P-C4' energy: -87.449 flat angles C4'-P-C4' energy: -65.956 flat angles P-C4'-P energy: -32.756 tors. eta vs tors. theta energy: 10.002 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: 9 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -1539.938222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.938222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.938222 (E_RNA) where: Base-Base interactions energy: -1044.832 where: short stacking energy: -480.605 Base-Backbone interact. energy: -2.697 local terms energy: -492.410049 where: bonds (distance) C4'-P energy: -81.830 bonds (distance) P-C4' energy: -91.254 flat angles C4'-P-C4' energy: -117.659 flat angles P-C4'-P energy: -70.070 tors. eta vs tors. theta energy: -131.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -1395.474942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.474942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.474942 (E_RNA) where: Base-Base interactions energy: -904.563 where: short stacking energy: -414.986 Base-Backbone interact. energy: 1.039 local terms energy: -491.950338 where: bonds (distance) C4'-P energy: -93.883 bonds (distance) P-C4' energy: -104.478 flat angles C4'-P-C4' energy: -103.270 flat angles P-C4'-P energy: -62.701 tors. eta vs tors. theta energy: -127.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -1278.565468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.565468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.565468 (E_RNA) where: Base-Base interactions energy: -816.413 where: short stacking energy: -387.820 Base-Backbone interact. energy: -1.226 local terms energy: -460.926199 where: bonds (distance) C4'-P energy: -80.675 bonds (distance) P-C4' energy: -93.792 flat angles C4'-P-C4' energy: -105.449 flat angles P-C4'-P energy: -75.394 tors. eta vs tors. theta energy: -105.616 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: 10 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -1244.603529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.603529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.603529 (E_RNA) where: Base-Base interactions energy: -804.334 where: short stacking energy: -374.248 Base-Backbone interact. energy: -0.634 local terms energy: -439.635545 where: bonds (distance) C4'-P energy: -87.935 bonds (distance) P-C4' energy: -93.051 flat angles C4'-P-C4' energy: -100.115 flat angles P-C4'-P energy: -55.626 tors. eta vs tors. theta energy: -102.909 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: 5, replica: 5 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -1180.321245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.321245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.321245 (E_RNA) where: Base-Base interactions energy: -757.305 where: short stacking energy: -340.224 Base-Backbone interact. energy: -2.435 local terms energy: -420.580987 where: bonds (distance) C4'-P energy: -79.332 bonds (distance) P-C4' energy: -96.502 flat angles C4'-P-C4' energy: -87.121 flat angles P-C4'-P energy: -62.214 tors. eta vs tors. theta energy: -95.414 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: 7 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -1018.661735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.661735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.661735 (E_RNA) where: Base-Base interactions energy: -644.726 where: short stacking energy: -298.555 Base-Backbone interact. energy: 4.759 local terms energy: -378.694963 where: bonds (distance) C4'-P energy: -77.352 bonds (distance) P-C4' energy: -90.448 flat angles C4'-P-C4' energy: -89.970 flat angles P-C4'-P energy: -58.103 tors. eta vs tors. theta energy: -62.822 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: 6 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -841.450323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.450323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.450323 (E_RNA) where: Base-Base interactions energy: -502.967 where: short stacking energy: -232.227 Base-Backbone interact. energy: -2.579 local terms energy: -335.903730 where: bonds (distance) C4'-P energy: -88.760 bonds (distance) P-C4' energy: -91.314 flat angles C4'-P-C4' energy: -60.301 flat angles P-C4'-P energy: -50.869 tors. eta vs tors. theta energy: -44.660 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: 3 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -677.083375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.083375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.083375 (E_RNA) where: Base-Base interactions energy: -362.005 where: short stacking energy: -226.761 Base-Backbone interact. energy: -2.669 local terms energy: -312.408494 where: bonds (distance) C4'-P energy: -86.689 bonds (distance) P-C4' energy: -81.539 flat angles C4'-P-C4' energy: -75.365 flat angles P-C4'-P energy: -47.284 tors. eta vs tors. theta energy: -21.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -551.294249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.294249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.294249 (E_RNA) where: Base-Base interactions energy: -283.326 where: short stacking energy: -171.412 Base-Backbone interact. energy: 1.079 local terms energy: -269.047482 where: bonds (distance) C4'-P energy: -64.211 bonds (distance) P-C4' energy: -86.925 flat angles C4'-P-C4' energy: -67.805 flat angles P-C4'-P energy: -38.972 tors. eta vs tors. theta energy: -11.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -475.574546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.574546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.574546 (E_RNA) where: Base-Base interactions energy: -211.636 where: short stacking energy: -122.316 Base-Backbone interact. energy: 1.032 local terms energy: -264.970665 where: bonds (distance) C4'-P energy: -68.770 bonds (distance) P-C4' energy: -85.332 flat angles C4'-P-C4' energy: -76.690 flat angles P-C4'-P energy: -46.840 tors. eta vs tors. theta energy: 12.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -1537.350199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.350199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.350199 (E_RNA) where: Base-Base interactions energy: -1025.987 where: short stacking energy: -466.497 Base-Backbone interact. energy: -2.358 local terms energy: -509.004436 where: bonds (distance) C4'-P energy: -92.542 bonds (distance) P-C4' energy: -103.953 flat angles C4'-P-C4' energy: -112.109 flat angles P-C4'-P energy: -68.108 tors. eta vs tors. theta energy: -132.292 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: 2 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -1381.342655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.342655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.342655 (E_RNA) where: Base-Base interactions energy: -887.323 where: short stacking energy: -406.534 Base-Backbone interact. energy: -1.547 local terms energy: -492.472705 where: bonds (distance) C4'-P energy: -104.499 bonds (distance) P-C4' energy: -95.043 flat angles C4'-P-C4' energy: -95.988 flat angles P-C4'-P energy: -68.474 tors. eta vs tors. theta energy: -128.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -1265.892522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.892522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.892522 (E_RNA) where: Base-Base interactions energy: -807.840 where: short stacking energy: -363.554 Base-Backbone interact. energy: -0.917 local terms energy: -457.135271 where: bonds (distance) C4'-P energy: -87.633 bonds (distance) P-C4' energy: -85.502 flat angles C4'-P-C4' energy: -107.103 flat angles P-C4'-P energy: -71.272 tors. eta vs tors. theta energy: -105.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -1236.178629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.178629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.178629 (E_RNA) where: Base-Base interactions energy: -817.337 where: short stacking energy: -384.531 Base-Backbone interact. energy: 0.921 local terms energy: -419.763035 where: bonds (distance) C4'-P energy: -90.465 bonds (distance) P-C4' energy: -89.685 flat angles C4'-P-C4' energy: -81.850 flat angles P-C4'-P energy: -57.593 tors. eta vs tors. theta energy: -100.170 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: 5, replica: 5 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -1172.232297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.232297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.232297 (E_RNA) where: Base-Base interactions energy: -749.263 where: short stacking energy: -352.033 Base-Backbone interact. energy: -2.666 local terms energy: -420.303083 where: bonds (distance) C4'-P energy: -83.882 bonds (distance) P-C4' energy: -85.736 flat angles C4'-P-C4' energy: -90.239 flat angles P-C4'-P energy: -58.131 tors. eta vs tors. theta energy: -102.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -1001.488074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.488074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.488074 (E_RNA) where: Base-Base interactions energy: -633.211 where: short stacking energy: -301.309 Base-Backbone interact. energy: -2.577 local terms energy: -365.700870 where: bonds (distance) C4'-P energy: -80.522 bonds (distance) P-C4' energy: -73.672 flat angles C4'-P-C4' energy: -94.702 flat angles P-C4'-P energy: -56.760 tors. eta vs tors. theta energy: -60.044 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: 6 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -907.337805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.337805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.337805 (E_RNA) where: Base-Base interactions energy: -557.572 where: short stacking energy: -264.940 Base-Backbone interact. energy: -1.493 local terms energy: -348.273569 where: bonds (distance) C4'-P energy: -68.429 bonds (distance) P-C4' energy: -97.053 flat angles C4'-P-C4' energy: -87.832 flat angles P-C4'-P energy: -45.746 tors. eta vs tors. theta energy: -49.213 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: 480 Temperature: 1.250000 Total energy: -659.592228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.592228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.592228 (E_RNA) where: Base-Base interactions energy: -348.813 where: short stacking energy: -171.381 Base-Backbone interact. energy: -0.532 local terms energy: -310.247671 where: bonds (distance) C4'-P energy: -98.283 bonds (distance) P-C4' energy: -69.662 flat angles C4'-P-C4' energy: -91.589 flat angles P-C4'-P energy: -32.612 tors. eta vs tors. theta energy: -18.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -496.095617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.095617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.095617 (E_RNA) where: Base-Base interactions energy: -234.245 where: short stacking energy: -160.547 Base-Backbone interact. energy: -1.526 local terms energy: -260.324360 where: bonds (distance) C4'-P energy: -88.575 bonds (distance) P-C4' energy: -82.522 flat angles C4'-P-C4' energy: -62.041 flat angles P-C4'-P energy: -43.598 tors. eta vs tors. theta energy: 16.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -496.841751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.841751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.841751 (E_RNA) where: Base-Base interactions energy: -226.009 where: short stacking energy: -119.136 Base-Backbone interact. energy: 1.264 local terms energy: -272.097327 where: bonds (distance) C4'-P energy: -92.590 bonds (distance) P-C4' energy: -73.341 flat angles C4'-P-C4' energy: -71.086 flat angles P-C4'-P energy: -42.370 tors. eta vs tors. theta energy: 7.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -1552.888185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.888185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.888185 (E_RNA) where: Base-Base interactions energy: -1043.944 where: short stacking energy: -459.913 Base-Backbone interact. energy: -3.367 local terms energy: -505.576736 where: bonds (distance) C4'-P energy: -90.661 bonds (distance) P-C4' energy: -97.717 flat angles C4'-P-C4' energy: -109.542 flat angles P-C4'-P energy: -75.346 tors. eta vs tors. theta energy: -132.312 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: 2 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -1373.874839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.874839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.874839 (E_RNA) where: Base-Base interactions energy: -908.329 where: short stacking energy: -433.306 Base-Backbone interact. energy: -3.060 local terms energy: -462.485805 where: bonds (distance) C4'-P energy: -87.388 bonds (distance) P-C4' energy: -82.782 flat angles C4'-P-C4' energy: -108.049 flat angles P-C4'-P energy: -61.030 tors. eta vs tors. theta energy: -123.237 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: 10 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -1325.270334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.270334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.270334 (E_RNA) where: Base-Base interactions energy: -867.781 where: short stacking energy: -426.200 Base-Backbone interact. energy: -1.084 local terms energy: -456.405896 where: bonds (distance) C4'-P energy: -87.530 bonds (distance) P-C4' energy: -77.930 flat angles C4'-P-C4' energy: -93.154 flat angles P-C4'-P energy: -71.698 tors. eta vs tors. theta energy: -126.094 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: 1 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -1201.264064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.264064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.264064 (E_RNA) where: Base-Base interactions energy: -798.017 where: short stacking energy: -368.177 Base-Backbone interact. energy: 1.098 local terms energy: -404.345423 where: bonds (distance) C4'-P energy: -86.414 bonds (distance) P-C4' energy: -87.634 flat angles C4'-P-C4' energy: -80.980 flat angles P-C4'-P energy: -53.132 tors. eta vs tors. theta energy: -96.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -1184.538194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.538194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.538194 (E_RNA) where: Base-Base interactions energy: -750.566 where: short stacking energy: -341.742 Base-Backbone interact. energy: -1.813 local terms energy: -432.159820 where: bonds (distance) C4'-P energy: -89.831 bonds (distance) P-C4' energy: -95.641 flat angles C4'-P-C4' energy: -93.084 flat angles P-C4'-P energy: -63.973 tors. eta vs tors. theta energy: -89.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -1029.438862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.438862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.438862 (E_RNA) where: Base-Base interactions energy: -651.085 where: short stacking energy: -302.329 Base-Backbone interact. energy: -2.910 local terms energy: -375.443736 where: bonds (distance) C4'-P energy: -71.759 bonds (distance) P-C4' energy: -98.296 flat angles C4'-P-C4' energy: -79.508 flat angles P-C4'-P energy: -52.506 tors. eta vs tors. theta energy: -73.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -814.381139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.381139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.381139 (E_RNA) where: Base-Base interactions energy: -479.869 where: short stacking energy: -236.186 Base-Backbone interact. energy: 2.812 local terms energy: -337.324307 where: bonds (distance) C4'-P energy: -73.641 bonds (distance) P-C4' energy: -93.471 flat angles C4'-P-C4' energy: -82.776 flat angles P-C4'-P energy: -39.767 tors. eta vs tors. theta energy: -47.669 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: 3 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -641.961747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.961747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.961747 (E_RNA) where: Base-Base interactions energy: -354.247 where: short stacking energy: -208.546 Base-Backbone interact. energy: 0.552 local terms energy: -288.267249 where: bonds (distance) C4'-P energy: -56.855 bonds (distance) P-C4' energy: -83.924 flat angles C4'-P-C4' energy: -81.384 flat angles P-C4'-P energy: -58.513 tors. eta vs tors. theta energy: -7.591 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: 4 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -503.156404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.156404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.156404 (E_RNA) where: Base-Base interactions energy: -216.583 where: short stacking energy: -120.563 Base-Backbone interact. energy: -2.334 local terms energy: -284.240023 where: bonds (distance) C4'-P energy: -80.836 bonds (distance) P-C4' energy: -101.746 flat angles C4'-P-C4' energy: -78.391 flat angles P-C4'-P energy: -34.666 tors. eta vs tors. theta energy: 11.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -513.348025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.348025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.348025 (E_RNA) where: Base-Base interactions energy: -256.423 where: short stacking energy: -157.662 Base-Backbone interact. energy: -1.275 local terms energy: -255.650080 where: bonds (distance) C4'-P energy: -73.146 bonds (distance) P-C4' energy: -85.858 flat angles C4'-P-C4' energy: -60.978 flat angles P-C4'-P energy: -21.511 tors. eta vs tors. theta energy: -14.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -1545.048394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.048394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.048394 (E_RNA) where: Base-Base interactions energy: -1046.975 where: short stacking energy: -466.136 Base-Backbone interact. energy: -1.519 local terms energy: -496.553730 where: bonds (distance) C4'-P energy: -82.647 bonds (distance) P-C4' energy: -102.533 flat angles C4'-P-C4' energy: -106.770 flat angles P-C4'-P energy: -73.728 tors. eta vs tors. theta energy: -130.876 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: 2 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -1360.532231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.532231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.532231 (E_RNA) where: Base-Base interactions energy: -884.333 where: short stacking energy: -416.566 Base-Backbone interact. energy: 0.256 local terms energy: -476.454935 where: bonds (distance) C4'-P energy: -85.502 bonds (distance) P-C4' energy: -97.485 flat angles C4'-P-C4' energy: -97.740 flat angles P-C4'-P energy: -71.511 tors. eta vs tors. theta energy: -124.218 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: 10 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -1331.909472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.909472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.909472 (E_RNA) where: Base-Base interactions energy: -879.381 where: short stacking energy: -377.699 Base-Backbone interact. energy: -3.811 local terms energy: -448.718305 where: bonds (distance) C4'-P energy: -81.516 bonds (distance) P-C4' energy: -90.407 flat angles C4'-P-C4' energy: -96.164 flat angles P-C4'-P energy: -71.465 tors. eta vs tors. theta energy: -109.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -1247.235254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.235254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.235254 (E_RNA) where: Base-Base interactions energy: -842.935 where: short stacking energy: -382.902 Base-Backbone interact. energy: -1.808 local terms energy: -402.492564 where: bonds (distance) C4'-P energy: -79.365 bonds (distance) P-C4' energy: -92.156 flat angles C4'-P-C4' energy: -94.024 flat angles P-C4'-P energy: -46.269 tors. eta vs tors. theta energy: -90.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -1170.820199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.820199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.820199 (E_RNA) where: Base-Base interactions energy: -747.107 where: short stacking energy: -328.482 Base-Backbone interact. energy: -1.787 local terms energy: -421.926161 where: bonds (distance) C4'-P energy: -91.936 bonds (distance) P-C4' energy: -90.455 flat angles C4'-P-C4' energy: -90.406 flat angles P-C4'-P energy: -54.544 tors. eta vs tors. theta energy: -94.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -1096.217062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.217062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.217062 (E_RNA) where: Base-Base interactions energy: -722.717 where: short stacking energy: -343.003 Base-Backbone interact. energy: -0.009 local terms energy: -373.490567 where: bonds (distance) C4'-P energy: -77.455 bonds (distance) P-C4' energy: -85.336 flat angles C4'-P-C4' energy: -90.401 flat angles P-C4'-P energy: -43.267 tors. eta vs tors. theta energy: -77.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -767.696712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.696712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.696712 (E_RNA) where: Base-Base interactions energy: -439.115 where: short stacking energy: -226.280 Base-Backbone interact. energy: 2.780 local terms energy: -331.362385 where: bonds (distance) C4'-P energy: -73.057 bonds (distance) P-C4' energy: -79.282 flat angles C4'-P-C4' energy: -81.358 flat angles P-C4'-P energy: -57.229 tors. eta vs tors. theta energy: -40.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -587.252364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.252364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.252364 (E_RNA) where: Base-Base interactions energy: -312.554 where: short stacking energy: -176.236 Base-Backbone interact. energy: -0.708 local terms energy: -273.990606 where: bonds (distance) C4'-P energy: -73.058 bonds (distance) P-C4' energy: -91.878 flat angles C4'-P-C4' energy: -59.328 flat angles P-C4'-P energy: -46.445 tors. eta vs tors. theta energy: -3.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -502.093970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.093970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.093970 (E_RNA) where: Base-Base interactions energy: -234.747 where: short stacking energy: -136.072 Base-Backbone interact. energy: -0.943 local terms energy: -266.403676 where: bonds (distance) C4'-P energy: -85.614 bonds (distance) P-C4' energy: -74.097 flat angles C4'-P-C4' energy: -62.551 flat angles P-C4'-P energy: -51.791 tors. eta vs tors. theta energy: 7.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -499.004275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.004275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.004275 (E_RNA) where: Base-Base interactions energy: -230.755 where: short stacking energy: -143.830 Base-Backbone interact. energy: -2.037 local terms energy: -266.212254 where: bonds (distance) C4'-P energy: -68.101 bonds (distance) P-C4' energy: -91.855 flat angles C4'-P-C4' energy: -76.576 flat angles P-C4'-P energy: -20.164 tors. eta vs tors. theta energy: -9.516 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: 1, replica: 9 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -1597.927123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.927123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.927123 (E_RNA) where: Base-Base interactions energy: -1074.895 where: short stacking energy: -477.330 Base-Backbone interact. energy: -3.128 local terms energy: -519.904698 where: bonds (distance) C4'-P energy: -101.310 bonds (distance) P-C4' energy: -100.296 flat angles C4'-P-C4' energy: -112.594 flat angles P-C4'-P energy: -68.483 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: 2 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -1356.146655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.146655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.146655 (E_RNA) where: Base-Base interactions energy: -862.291 where: short stacking energy: -421.530 Base-Backbone interact. energy: -0.751 local terms energy: -493.104184 where: bonds (distance) C4'-P energy: -90.265 bonds (distance) P-C4' energy: -94.130 flat angles C4'-P-C4' energy: -111.631 flat angles P-C4'-P energy: -73.291 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: 3, replica: 10 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -1349.427787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.427787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.427787 (E_RNA) where: Base-Base interactions energy: -884.038 where: short stacking energy: -437.602 Base-Backbone interact. energy: -2.931 local terms energy: -462.458112 where: bonds (distance) C4'-P energy: -88.301 bonds (distance) P-C4' energy: -97.388 flat angles C4'-P-C4' energy: -96.501 flat angles P-C4'-P energy: -62.680 tors. eta vs tors. theta energy: -117.588 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: 4, replica: 1 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -1228.850650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.850650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.850650 (E_RNA) where: Base-Base interactions energy: -800.082 where: short stacking energy: -370.988 Base-Backbone interact. energy: -0.992 local terms energy: -427.777548 where: bonds (distance) C4'-P energy: -86.363 bonds (distance) P-C4' energy: -76.482 flat angles C4'-P-C4' energy: -97.320 flat angles P-C4'-P energy: -75.665 tors. eta vs tors. theta energy: -91.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -1141.245886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.245886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.245886 (E_RNA) where: Base-Base interactions energy: -739.858 where: short stacking energy: -334.719 Base-Backbone interact. energy: 4.081 local terms energy: -405.468781 where: bonds (distance) C4'-P energy: -87.109 bonds (distance) P-C4' energy: -95.925 flat angles C4'-P-C4' energy: -89.176 flat angles P-C4'-P energy: -55.454 tors. eta vs tors. theta energy: -77.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -1002.307048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.307048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.307048 (E_RNA) where: Base-Base interactions energy: -632.863 where: short stacking energy: -289.043 Base-Backbone interact. energy: -0.062 local terms energy: -369.382776 where: bonds (distance) C4'-P energy: -88.762 bonds (distance) P-C4' energy: -74.485 flat angles C4'-P-C4' energy: -79.225 flat angles P-C4'-P energy: -64.629 tors. eta vs tors. theta energy: -62.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -767.073089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.073089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.073089 (E_RNA) where: Base-Base interactions energy: -446.921 where: short stacking energy: -236.802 Base-Backbone interact. energy: 4.003 local terms energy: -324.154714 where: bonds (distance) C4'-P energy: -76.779 bonds (distance) P-C4' energy: -79.721 flat angles C4'-P-C4' energy: -75.933 flat angles P-C4'-P energy: -50.304 tors. eta vs tors. theta energy: -41.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -567.502200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.502200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.502200 (E_RNA) where: Base-Base interactions energy: -280.816 where: short stacking energy: -164.825 Base-Backbone interact. energy: 2.731 local terms energy: -289.416431 where: bonds (distance) C4'-P energy: -77.992 bonds (distance) P-C4' energy: -84.066 flat angles C4'-P-C4' energy: -66.042 flat angles P-C4'-P energy: -47.804 tors. eta vs tors. theta energy: -13.512 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: 8 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -489.376028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.376028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.376028 (E_RNA) where: Base-Base interactions energy: -213.743 where: short stacking energy: -121.904 Base-Backbone interact. energy: -0.627 local terms energy: -275.006472 where: bonds (distance) C4'-P energy: -84.967 bonds (distance) P-C4' energy: -86.509 flat angles C4'-P-C4' energy: -81.143 flat angles P-C4'-P energy: -28.707 tors. eta vs tors. theta energy: 6.320 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: 10, replica: 4 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -463.741244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.741244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.741244 (E_RNA) where: Base-Base interactions energy: -199.602 where: short stacking energy: -123.326 Base-Backbone interact. energy: 0.102 local terms energy: -264.240790 where: bonds (distance) C4'-P energy: -71.017 bonds (distance) P-C4' energy: -75.905 flat angles C4'-P-C4' energy: -82.278 flat angles P-C4'-P energy: -40.990 tors. eta vs tors. theta energy: 5.950 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: 9 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -1582.624492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.624492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.624492 (E_RNA) where: Base-Base interactions energy: -1066.401 where: short stacking energy: -489.780 Base-Backbone interact. energy: -2.565 local terms energy: -513.657921 where: bonds (distance) C4'-P energy: -97.271 bonds (distance) P-C4' energy: -96.612 flat angles C4'-P-C4' energy: -111.599 flat angles P-C4'-P energy: -70.737 tors. eta vs tors. theta energy: -137.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -1399.040431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.040431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.040431 (E_RNA) where: Base-Base interactions energy: -897.803 where: short stacking energy: -420.926 Base-Backbone interact. energy: -1.400 local terms energy: -499.837705 where: bonds (distance) C4'-P energy: -99.433 bonds (distance) P-C4' energy: -103.601 flat angles C4'-P-C4' energy: -105.584 flat angles P-C4'-P energy: -60.650 tors. eta vs tors. theta energy: -130.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -1329.935256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.935256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.935256 (E_RNA) where: Base-Base interactions energy: -882.164 where: short stacking energy: -397.698 Base-Backbone interact. energy: -3.706 local terms energy: -444.065601 where: bonds (distance) C4'-P energy: -84.577 bonds (distance) P-C4' energy: -91.476 flat angles C4'-P-C4' energy: -102.043 flat angles P-C4'-P energy: -66.045 tors. eta vs tors. theta energy: -99.925 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: 1 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -1245.197830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.197830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.197830 (E_RNA) where: Base-Base interactions energy: -829.057 where: short stacking energy: -384.187 Base-Backbone interact. energy: 0.254 local terms energy: -416.394652 where: bonds (distance) C4'-P energy: -79.205 bonds (distance) P-C4' energy: -82.706 flat angles C4'-P-C4' energy: -99.297 flat angles P-C4'-P energy: -56.682 tors. eta vs tors. theta energy: -98.504 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: 7 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -1048.428500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.428500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.428500 (E_RNA) where: Base-Base interactions energy: -671.463 where: short stacking energy: -314.437 Base-Backbone interact. energy: -0.679 local terms energy: -376.286367 where: bonds (distance) C4'-P energy: -87.721 bonds (distance) P-C4' energy: -78.883 flat angles C4'-P-C4' energy: -94.661 flat angles P-C4'-P energy: -50.352 tors. eta vs tors. theta energy: -64.670 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: 5 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -1130.134681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.134681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.134681 (E_RNA) where: Base-Base interactions energy: -753.681 where: short stacking energy: -337.920 Base-Backbone interact. energy: -0.665 local terms energy: -375.789026 where: bonds (distance) C4'-P energy: -66.629 bonds (distance) P-C4' energy: -80.143 flat angles C4'-P-C4' energy: -93.685 flat angles P-C4'-P energy: -42.818 tors. eta vs tors. theta energy: -92.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -811.762874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.762874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.762874 (E_RNA) where: Base-Base interactions energy: -459.582 where: short stacking energy: -213.544 Base-Backbone interact. energy: -1.655 local terms energy: -350.525673 where: bonds (distance) C4'-P energy: -74.582 bonds (distance) P-C4' energy: -79.636 flat angles C4'-P-C4' energy: -94.671 flat angles P-C4'-P energy: -62.266 tors. eta vs tors. theta energy: -39.372 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: 3 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -635.741564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.741564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.741564 (E_RNA) where: Base-Base interactions energy: -348.344 where: short stacking energy: -171.178 Base-Backbone interact. energy: 3.094 local terms energy: -290.492091 where: bonds (distance) C4'-P energy: -85.806 bonds (distance) P-C4' energy: -68.449 flat angles C4'-P-C4' energy: -83.692 flat angles P-C4'-P energy: -49.840 tors. eta vs tors. theta energy: -2.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -558.678611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.678611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.678611 (E_RNA) where: Base-Base interactions energy: -259.154 where: short stacking energy: -163.775 Base-Backbone interact. energy: -0.585 local terms energy: -298.938846 where: bonds (distance) C4'-P energy: -92.052 bonds (distance) P-C4' energy: -80.215 flat angles C4'-P-C4' energy: -76.203 flat angles P-C4'-P energy: -42.200 tors. eta vs tors. theta energy: -8.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -493.822186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.822186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.822186 (E_RNA) where: Base-Base interactions energy: -229.507 where: short stacking energy: -134.153 Base-Backbone interact. energy: 0.056 local terms energy: -264.371409 where: bonds (distance) C4'-P energy: -60.893 bonds (distance) P-C4' energy: -74.187 flat angles C4'-P-C4' energy: -70.028 flat angles P-C4'-P energy: -53.800 tors. eta vs tors. theta energy: -5.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -1598.673858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.673858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.673858 (E_RNA) where: Base-Base interactions energy: -1077.865 where: short stacking energy: -483.352 Base-Backbone interact. energy: -3.004 local terms energy: -517.805347 where: bonds (distance) C4'-P energy: -96.316 bonds (distance) P-C4' energy: -89.895 flat angles C4'-P-C4' energy: -111.862 flat angles P-C4'-P energy: -73.843 tors. eta vs tors. theta energy: -145.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -1381.282621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.282621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.282621 (E_RNA) where: Base-Base interactions energy: -885.697 where: short stacking energy: -411.419 Base-Backbone interact. energy: -1.172 local terms energy: -494.413965 where: bonds (distance) C4'-P energy: -96.271 bonds (distance) P-C4' energy: -104.188 flat angles C4'-P-C4' energy: -99.647 flat angles P-C4'-P energy: -78.116 tors. eta vs tors. theta energy: -116.191 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: 10 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -1367.478808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.478808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.478808 (E_RNA) where: Base-Base interactions energy: -898.908 where: short stacking energy: -420.662 Base-Backbone interact. energy: -3.519 local terms energy: -465.052092 where: bonds (distance) C4'-P energy: -77.749 bonds (distance) P-C4' energy: -91.255 flat angles C4'-P-C4' energy: -102.330 flat angles P-C4'-P energy: -69.603 tors. eta vs tors. theta energy: -124.115 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: 1 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -1239.725677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.725677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.725677 (E_RNA) where: Base-Base interactions energy: -811.150 where: short stacking energy: -371.738 Base-Backbone interact. energy: -0.416 local terms energy: -428.159915 where: bonds (distance) C4'-P energy: -91.189 bonds (distance) P-C4' energy: -84.871 flat angles C4'-P-C4' energy: -99.446 flat angles P-C4'-P energy: -46.210 tors. eta vs tors. theta energy: -106.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -1053.685266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.685266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.685266 (E_RNA) where: Base-Base interactions energy: -642.059 where: short stacking energy: -300.152 Base-Backbone interact. energy: -1.454 local terms energy: -410.172470 where: bonds (distance) C4'-P energy: -89.096 bonds (distance) P-C4' energy: -99.162 flat angles C4'-P-C4' energy: -85.892 flat angles P-C4'-P energy: -54.600 tors. eta vs tors. theta energy: -81.423 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: 6, replica: 5 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -1128.701456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.701456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.701456 (E_RNA) where: Base-Base interactions energy: -731.681 where: short stacking energy: -336.482 Base-Backbone interact. energy: -1.995 local terms energy: -395.026356 where: bonds (distance) C4'-P energy: -80.706 bonds (distance) P-C4' energy: -80.811 flat angles C4'-P-C4' energy: -86.424 flat angles P-C4'-P energy: -64.691 tors. eta vs tors. theta energy: -82.395 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: 7, replica: 6 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -779.914158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.914158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.914158 (E_RNA) where: Base-Base interactions energy: -461.374 where: short stacking energy: -230.932 Base-Backbone interact. energy: -0.137 local terms energy: -318.403682 where: bonds (distance) C4'-P energy: -72.378 bonds (distance) P-C4' energy: -84.744 flat angles C4'-P-C4' energy: -78.075 flat angles P-C4'-P energy: -47.086 tors. eta vs tors. theta energy: -36.121 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: 3 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -575.390643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.390643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.390643 (E_RNA) where: Base-Base interactions energy: -301.179 where: short stacking energy: -169.308 Base-Backbone interact. energy: -0.383 local terms energy: -273.828115 where: bonds (distance) C4'-P energy: -67.640 bonds (distance) P-C4' energy: -90.466 flat angles C4'-P-C4' energy: -76.912 flat angles P-C4'-P energy: -25.443 tors. eta vs tors. theta energy: -13.366 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: 9, replica: 4 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -604.392414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.392414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.392414 (E_RNA) where: Base-Base interactions energy: -336.014 where: short stacking energy: -171.993 Base-Backbone interact. energy: 1.465 local terms energy: -269.843755 where: bonds (distance) C4'-P energy: -67.973 bonds (distance) P-C4' energy: -76.192 flat angles C4'-P-C4' energy: -68.146 flat angles P-C4'-P energy: -39.073 tors. eta vs tors. theta energy: -18.460 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: 10, replica: 8 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -496.426478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.426478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.426478 (E_RNA) where: Base-Base interactions energy: -215.398 where: short stacking energy: -132.024 Base-Backbone interact. energy: -3.032 local terms energy: -277.996759 where: bonds (distance) C4'-P energy: -82.488 bonds (distance) P-C4' energy: -78.839 flat angles C4'-P-C4' energy: -51.658 flat angles P-C4'-P energy: -47.686 tors. eta vs tors. theta energy: -17.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -1592.579495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.579495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.579495 (E_RNA) where: Base-Base interactions energy: -1069.127 where: short stacking energy: -481.228 Base-Backbone interact. energy: -1.850 local terms energy: -521.602033 where: bonds (distance) C4'-P energy: -95.033 bonds (distance) P-C4' energy: -98.386 flat angles C4'-P-C4' energy: -116.939 flat angles P-C4'-P energy: -77.420 tors. eta vs tors. theta energy: -133.824 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: 2 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -1362.864610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.864610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.864610 (E_RNA) where: Base-Base interactions energy: -904.694 where: short stacking energy: -413.545 Base-Backbone interact. energy: -3.512 local terms energy: -454.658568 where: bonds (distance) C4'-P energy: -91.232 bonds (distance) P-C4' energy: -75.345 flat angles C4'-P-C4' energy: -108.657 flat angles P-C4'-P energy: -59.531 tors. eta vs tors. theta energy: -119.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -1340.596838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.596838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.596838 (E_RNA) where: Base-Base interactions energy: -893.416 where: short stacking energy: -404.790 Base-Backbone interact. energy: 2.843 local terms energy: -450.023777 where: bonds (distance) C4'-P energy: -91.243 bonds (distance) P-C4' energy: -89.639 flat angles C4'-P-C4' energy: -92.464 flat angles P-C4'-P energy: -70.268 tors. eta vs tors. theta energy: -106.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -1205.862080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.862080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.862080 (E_RNA) where: Base-Base interactions energy: -767.358 where: short stacking energy: -373.525 Base-Backbone interact. energy: 0.889 local terms energy: -439.393016 where: bonds (distance) C4'-P energy: -89.107 bonds (distance) P-C4' energy: -98.001 flat angles C4'-P-C4' energy: -98.855 flat angles P-C4'-P energy: -61.470 tors. eta vs tors. theta energy: -91.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -1180.184009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.184009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.184009 (E_RNA) where: Base-Base interactions energy: -778.247 where: short stacking energy: -337.251 Base-Backbone interact. energy: 2.213 local terms energy: -404.150440 where: bonds (distance) C4'-P energy: -84.499 bonds (distance) P-C4' energy: -84.769 flat angles C4'-P-C4' energy: -90.296 flat angles P-C4'-P energy: -52.223 tors. eta vs tors. theta energy: -92.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -1015.550354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.550354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.550354 (E_RNA) where: Base-Base interactions energy: -637.727 where: short stacking energy: -289.888 Base-Backbone interact. energy: -1.063 local terms energy: -376.759859 where: bonds (distance) C4'-P energy: -78.057 bonds (distance) P-C4' energy: -77.006 flat angles C4'-P-C4' energy: -86.675 flat angles P-C4'-P energy: -63.408 tors. eta vs tors. theta energy: -71.614 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: 6 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -771.785762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.785762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.785762 (E_RNA) where: Base-Base interactions energy: -408.602 where: short stacking energy: -213.971 Base-Backbone interact. energy: -1.885 local terms energy: -361.298199 where: bonds (distance) C4'-P energy: -90.793 bonds (distance) P-C4' energy: -91.225 flat angles C4'-P-C4' energy: -86.391 flat angles P-C4'-P energy: -60.712 tors. eta vs tors. theta energy: -32.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -576.849134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.849134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.849134 (E_RNA) where: Base-Base interactions energy: -295.520 where: short stacking energy: -167.320 Base-Backbone interact. energy: 4.050 local terms energy: -285.378818 where: bonds (distance) C4'-P energy: -77.494 bonds (distance) P-C4' energy: -83.394 flat angles C4'-P-C4' energy: -78.980 flat angles P-C4'-P energy: -42.294 tors. eta vs tors. theta energy: -3.218 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: 486 Temperature: 1.300000 Total energy: -610.763983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.763983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.763983 (E_RNA) where: Base-Base interactions energy: -347.816 where: short stacking energy: -177.444 Base-Backbone interact. energy: 3.788 local terms energy: -266.736275 where: bonds (distance) C4'-P energy: -67.843 bonds (distance) P-C4' energy: -85.423 flat angles C4'-P-C4' energy: -77.564 flat angles P-C4'-P energy: -30.907 tors. eta vs tors. theta energy: -5.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -534.671987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.671987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.671987 (E_RNA) where: Base-Base interactions energy: -275.669 where: short stacking energy: -156.057 Base-Backbone interact. energy: 1.380 local terms energy: -260.382737 where: bonds (distance) C4'-P energy: -79.794 bonds (distance) P-C4' energy: -86.213 flat angles C4'-P-C4' energy: -54.600 flat angles P-C4'-P energy: -29.078 tors. eta vs tors. theta energy: -10.697 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: 9 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -1585.116279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.116279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.116279 (E_RNA) where: Base-Base interactions energy: -1059.866 where: short stacking energy: -495.531 Base-Backbone interact. energy: -4.189 local terms energy: -521.060781 where: bonds (distance) C4'-P energy: -92.196 bonds (distance) P-C4' energy: -105.067 flat angles C4'-P-C4' energy: -111.999 flat angles P-C4'-P energy: -68.580 tors. eta vs tors. theta energy: -143.218 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: 2 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -1380.655523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.655523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.655523 (E_RNA) where: Base-Base interactions energy: -914.301 where: short stacking energy: -422.110 Base-Backbone interact. energy: -0.030 local terms energy: -466.324339 where: bonds (distance) C4'-P energy: -94.953 bonds (distance) P-C4' energy: -83.238 flat angles C4'-P-C4' energy: -105.674 flat angles P-C4'-P energy: -52.378 tors. eta vs tors. theta energy: -130.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -1328.532134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.532134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.532134 (E_RNA) where: Base-Base interactions energy: -873.407 where: short stacking energy: -408.287 Base-Backbone interact. energy: -2.453 local terms energy: -452.671918 where: bonds (distance) C4'-P energy: -92.840 bonds (distance) P-C4' energy: -89.186 flat angles C4'-P-C4' energy: -98.406 flat angles P-C4'-P energy: -57.907 tors. eta vs tors. theta energy: -114.332 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: 4, replica: 1 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -1176.509098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.509098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.509098 (E_RNA) where: Base-Base interactions energy: -720.194 where: short stacking energy: -338.247 Base-Backbone interact. energy: -0.541 local terms energy: -455.773843 where: bonds (distance) C4'-P energy: -98.195 bonds (distance) P-C4' energy: -96.710 flat angles C4'-P-C4' energy: -101.116 flat angles P-C4'-P energy: -71.627 tors. eta vs tors. theta energy: -88.127 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: 487 Temperature: 1.100000 Total energy: -1205.690859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.690859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.690859 (E_RNA) where: Base-Base interactions energy: -775.300 where: short stacking energy: -360.068 Base-Backbone interact. energy: -0.645 local terms energy: -429.746284 where: bonds (distance) C4'-P energy: -90.501 bonds (distance) P-C4' energy: -99.219 flat angles C4'-P-C4' energy: -90.278 flat angles P-C4'-P energy: -51.257 tors. eta vs tors. theta energy: -98.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -1009.031240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.031240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.031240 (E_RNA) where: Base-Base interactions energy: -648.205 where: short stacking energy: -284.537 Base-Backbone interact. energy: -0.533 local terms energy: -360.293432 where: bonds (distance) C4'-P energy: -80.625 bonds (distance) P-C4' energy: -84.178 flat angles C4'-P-C4' energy: -90.909 flat angles P-C4'-P energy: -49.562 tors. eta vs tors. theta energy: -55.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -728.362709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.362709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.362709 (E_RNA) where: Base-Base interactions energy: -415.479 where: short stacking energy: -201.759 Base-Backbone interact. energy: 0.270 local terms energy: -313.153335 where: bonds (distance) C4'-P energy: -69.278 bonds (distance) P-C4' energy: -89.182 flat angles C4'-P-C4' energy: -84.518 flat angles P-C4'-P energy: -40.883 tors. eta vs tors. theta energy: -29.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -692.822646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.822646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.822646 (E_RNA) where: Base-Base interactions energy: -366.298 where: short stacking energy: -200.497 Base-Backbone interact. energy: 0.443 local terms energy: -326.967158 where: bonds (distance) C4'-P energy: -80.241 bonds (distance) P-C4' energy: -82.755 flat angles C4'-P-C4' energy: -79.533 flat angles P-C4'-P energy: -59.987 tors. eta vs tors. theta energy: -24.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -542.974482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.974482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.974482 (E_RNA) where: Base-Base interactions energy: -279.333 where: short stacking energy: -159.480 Base-Backbone interact. energy: -2.003 local terms energy: -261.637754 where: bonds (distance) C4'-P energy: -83.596 bonds (distance) P-C4' energy: -67.434 flat angles C4'-P-C4' energy: -66.688 flat angles P-C4'-P energy: -49.650 tors. eta vs tors. theta energy: 5.729 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: 8 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -576.459689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.459689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.459689 (E_RNA) where: Base-Base interactions energy: -288.024 where: short stacking energy: -157.619 Base-Backbone interact. energy: 1.404 local terms energy: -289.839403 where: bonds (distance) C4'-P energy: -78.558 bonds (distance) P-C4' energy: -81.491 flat angles C4'-P-C4' energy: -83.275 flat angles P-C4'-P energy: -41.100 tors. eta vs tors. theta energy: -5.416 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: 9 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -1551.665044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.665044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.665044 (E_RNA) where: Base-Base interactions energy: -1051.563 where: short stacking energy: -457.348 Base-Backbone interact. energy: -0.864 local terms energy: -499.238316 where: bonds (distance) C4'-P energy: -93.842 bonds (distance) P-C4' energy: -98.612 flat angles C4'-P-C4' energy: -101.102 flat angles P-C4'-P energy: -65.134 tors. eta vs tors. theta energy: -140.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -1425.641580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.641580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.641580 (E_RNA) where: Base-Base interactions energy: -937.640 where: short stacking energy: -438.135 Base-Backbone interact. energy: -0.826 local terms energy: -487.175267 where: bonds (distance) C4'-P energy: -104.768 bonds (distance) P-C4' energy: -82.531 flat angles C4'-P-C4' energy: -103.366 flat angles P-C4'-P energy: -61.242 tors. eta vs tors. theta energy: -135.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -1313.710071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.710071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.710071 (E_RNA) where: Base-Base interactions energy: -865.514 where: short stacking energy: -400.013 Base-Backbone interact. energy: -2.635 local terms energy: -445.560864 where: bonds (distance) C4'-P energy: -85.428 bonds (distance) P-C4' energy: -95.984 flat angles C4'-P-C4' energy: -105.321 flat angles P-C4'-P energy: -59.110 tors. eta vs tors. theta energy: -99.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -1186.042095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.042095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.042095 (E_RNA) where: Base-Base interactions energy: -759.730 where: short stacking energy: -373.233 Base-Backbone interact. energy: 0.113 local terms energy: -426.425358 where: bonds (distance) C4'-P energy: -89.325 bonds (distance) P-C4' energy: -95.138 flat angles C4'-P-C4' energy: -92.957 flat angles P-C4'-P energy: -58.648 tors. eta vs tors. theta energy: -90.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -1147.857433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.857433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.857433 (E_RNA) where: Base-Base interactions energy: -741.482 where: short stacking energy: -349.995 Base-Backbone interact. energy: -0.204 local terms energy: -406.172005 where: bonds (distance) C4'-P energy: -92.492 bonds (distance) P-C4' energy: -85.954 flat angles C4'-P-C4' energy: -79.856 flat angles P-C4'-P energy: -61.669 tors. eta vs tors. theta energy: -86.201 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: 7 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -1042.144805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.144805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.144805 (E_RNA) where: Base-Base interactions energy: -676.741 where: short stacking energy: -311.836 Base-Backbone interact. energy: -3.553 local terms energy: -361.850881 where: bonds (distance) C4'-P energy: -92.640 bonds (distance) P-C4' energy: -70.407 flat angles C4'-P-C4' energy: -79.052 flat angles P-C4'-P energy: -52.784 tors. eta vs tors. theta energy: -66.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -799.404713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.404713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.404713 (E_RNA) where: Base-Base interactions energy: -476.762 where: short stacking energy: -259.928 Base-Backbone interact. energy: 3.642 local terms energy: -326.284529 where: bonds (distance) C4'-P energy: -72.032 bonds (distance) P-C4' energy: -89.969 flat angles C4'-P-C4' energy: -77.666 flat angles P-C4'-P energy: -45.254 tors. eta vs tors. theta energy: -41.364 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: 8, replica: 4 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -687.037475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.037475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.037475 (E_RNA) where: Base-Base interactions energy: -381.025 where: short stacking energy: -193.157 Base-Backbone interact. energy: -0.749 local terms energy: -305.263144 where: bonds (distance) C4'-P energy: -78.385 bonds (distance) P-C4' energy: -75.759 flat angles C4'-P-C4' energy: -72.724 flat angles P-C4'-P energy: -53.738 tors. eta vs tors. theta energy: -24.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -569.699664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.699664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.699664 (E_RNA) where: Base-Base interactions energy: -277.476 where: short stacking energy: -156.308 Base-Backbone interact. energy: -2.325 local terms energy: -289.898245 where: bonds (distance) C4'-P energy: -79.491 bonds (distance) P-C4' energy: -87.926 flat angles C4'-P-C4' energy: -82.399 flat angles P-C4'-P energy: -34.455 tors. eta vs tors. theta energy: -5.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -475.250712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.250712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.250712 (E_RNA) where: Base-Base interactions energy: -220.722 where: short stacking energy: -119.426 Base-Backbone interact. energy: 3.797 local terms energy: -258.325727 where: bonds (distance) C4'-P energy: -85.392 bonds (distance) P-C4' energy: -71.744 flat angles C4'-P-C4' energy: -70.500 flat angles P-C4'-P energy: -39.252 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: 1, replica: 9 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -1551.415929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.415929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.415929 (E_RNA) where: Base-Base interactions energy: -1054.027 where: short stacking energy: -482.044 Base-Backbone interact. energy: -0.357 local terms energy: -497.031634 where: bonds (distance) C4'-P energy: -92.579 bonds (distance) P-C4' energy: -96.663 flat angles C4'-P-C4' energy: -110.833 flat angles P-C4'-P energy: -66.865 tors. eta vs tors. theta energy: -130.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -1432.234920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.234920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.234920 (E_RNA) where: Base-Base interactions energy: -922.997 where: short stacking energy: -441.109 Base-Backbone interact. energy: 1.144 local terms energy: -510.382195 where: bonds (distance) C4'-P energy: -87.590 bonds (distance) P-C4' energy: -98.518 flat angles C4'-P-C4' energy: -109.953 flat angles P-C4'-P energy: -75.364 tors. eta vs tors. theta energy: -138.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -1353.522745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.522745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.522745 (E_RNA) where: Base-Base interactions energy: -892.681 where: short stacking energy: -416.198 Base-Backbone interact. energy: -1.592 local terms energy: -459.249637 where: bonds (distance) C4'-P energy: -89.811 bonds (distance) P-C4' energy: -84.569 flat angles C4'-P-C4' energy: -108.110 flat angles P-C4'-P energy: -66.258 tors. eta vs tors. theta energy: -110.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -1243.381324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.381324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.381324 (E_RNA) where: Base-Base interactions energy: -814.047 where: short stacking energy: -377.352 Base-Backbone interact. energy: 1.444 local terms energy: -430.778606 where: bonds (distance) C4'-P energy: -82.970 bonds (distance) P-C4' energy: -82.167 flat angles C4'-P-C4' energy: -107.039 flat angles P-C4'-P energy: -64.416 tors. eta vs tors. theta energy: -94.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -1171.970750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.970750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.970750 (E_RNA) where: Base-Base interactions energy: -744.461 where: short stacking energy: -334.181 Base-Backbone interact. energy: -1.540 local terms energy: -425.969883 where: bonds (distance) C4'-P energy: -82.625 bonds (distance) P-C4' energy: -95.080 flat angles C4'-P-C4' energy: -95.706 flat angles P-C4'-P energy: -58.822 tors. eta vs tors. theta energy: -93.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -1042.365647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.365647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.365647 (E_RNA) where: Base-Base interactions energy: -684.162 where: short stacking energy: -306.517 Base-Backbone interact. energy: 2.643 local terms energy: -360.847181 where: bonds (distance) C4'-P energy: -83.400 bonds (distance) P-C4' energy: -94.470 flat angles C4'-P-C4' energy: -76.716 flat angles P-C4'-P energy: -51.534 tors. eta vs tors. theta energy: -54.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -824.089345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.089345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.089345 (E_RNA) where: Base-Base interactions energy: -502.127 where: short stacking energy: -258.357 Base-Backbone interact. energy: 2.101 local terms energy: -324.063320 where: bonds (distance) C4'-P energy: -74.879 bonds (distance) P-C4' energy: -92.453 flat angles C4'-P-C4' energy: -77.296 flat angles P-C4'-P energy: -38.962 tors. eta vs tors. theta energy: -40.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -726.723576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.723576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.723576 (E_RNA) where: Base-Base interactions energy: -416.495 where: short stacking energy: -234.455 Base-Backbone interact. energy: 1.813 local terms energy: -312.041913 where: bonds (distance) C4'-P energy: -77.764 bonds (distance) P-C4' energy: -87.089 flat angles C4'-P-C4' energy: -59.334 flat angles P-C4'-P energy: -42.936 tors. eta vs tors. theta energy: -44.919 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: 8 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -590.202051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.202051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.202051 (E_RNA) where: Base-Base interactions energy: -303.184 where: short stacking energy: -172.192 Base-Backbone interact. energy: -0.158 local terms energy: -286.860007 where: bonds (distance) C4'-P energy: -73.640 bonds (distance) P-C4' energy: -80.329 flat angles C4'-P-C4' energy: -74.396 flat angles P-C4'-P energy: -50.386 tors. eta vs tors. theta energy: -8.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -459.409919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.409919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.409919 (E_RNA) where: Base-Base interactions energy: -216.153 where: short stacking energy: -132.343 Base-Backbone interact. energy: 2.210 local terms energy: -245.467251 where: bonds (distance) C4'-P energy: -74.714 bonds (distance) P-C4' energy: -79.969 flat angles C4'-P-C4' energy: -54.782 flat angles P-C4'-P energy: -44.848 tors. eta vs tors. theta energy: 8.846 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: 9 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -1560.939481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.939481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.939481 (E_RNA) where: Base-Base interactions energy: -1056.016 where: short stacking energy: -462.156 Base-Backbone interact. energy: 2.953 local terms energy: -507.876327 where: bonds (distance) C4'-P energy: -99.611 bonds (distance) P-C4' energy: -96.696 flat angles C4'-P-C4' energy: -107.915 flat angles P-C4'-P energy: -76.991 tors. eta vs tors. theta energy: -126.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -1410.674058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.674058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.674058 (E_RNA) where: Base-Base interactions energy: -916.656 where: short stacking energy: -413.393 Base-Backbone interact. energy: 1.586 local terms energy: -495.604036 where: bonds (distance) C4'-P energy: -95.603 bonds (distance) P-C4' energy: -90.432 flat angles C4'-P-C4' energy: -105.709 flat angles P-C4'-P energy: -71.052 tors. eta vs tors. theta energy: -132.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -1364.935633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.935633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.935633 (E_RNA) where: Base-Base interactions energy: -888.922 where: short stacking energy: -429.023 Base-Backbone interact. energy: -0.982 local terms energy: -475.031298 where: bonds (distance) C4'-P energy: -79.745 bonds (distance) P-C4' energy: -98.805 flat angles C4'-P-C4' energy: -99.225 flat angles P-C4'-P energy: -66.634 tors. eta vs tors. theta energy: -130.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -1215.359373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.359373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.359373 (E_RNA) where: Base-Base interactions energy: -771.537 where: short stacking energy: -369.164 Base-Backbone interact. energy: 0.561 local terms energy: -444.383908 where: bonds (distance) C4'-P energy: -81.376 bonds (distance) P-C4' energy: -98.565 flat angles C4'-P-C4' energy: -101.164 flat angles P-C4'-P energy: -69.634 tors. eta vs tors. theta energy: -93.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -1187.671021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.671021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.671021 (E_RNA) where: Base-Base interactions energy: -760.069 where: short stacking energy: -348.959 Base-Backbone interact. energy: -2.051 local terms energy: -425.550681 where: bonds (distance) C4'-P energy: -87.167 bonds (distance) P-C4' energy: -96.716 flat angles C4'-P-C4' energy: -98.336 flat angles P-C4'-P energy: -50.715 tors. eta vs tors. theta energy: -92.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -1062.072521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.072521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.072521 (E_RNA) where: Base-Base interactions energy: -697.573 where: short stacking energy: -320.697 Base-Backbone interact. energy: -2.934 local terms energy: -361.565680 where: bonds (distance) C4'-P energy: -78.603 bonds (distance) P-C4' energy: -66.946 flat angles C4'-P-C4' energy: -95.854 flat angles P-C4'-P energy: -51.805 tors. eta vs tors. theta energy: -68.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -827.655117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.655117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.655117 (E_RNA) where: Base-Base interactions energy: -475.743 where: short stacking energy: -230.242 Base-Backbone interact. energy: -0.056 local terms energy: -351.855566 where: bonds (distance) C4'-P energy: -82.678 bonds (distance) P-C4' energy: -94.075 flat angles C4'-P-C4' energy: -87.811 flat angles P-C4'-P energy: -55.518 tors. eta vs tors. theta energy: -31.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -766.817561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.817561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.817561 (E_RNA) where: Base-Base interactions energy: -425.303 where: short stacking energy: -213.611 Base-Backbone interact. energy: 2.081 local terms energy: -343.596373 where: bonds (distance) C4'-P energy: -81.712 bonds (distance) P-C4' energy: -96.424 flat angles C4'-P-C4' energy: -70.520 flat angles P-C4'-P energy: -47.620 tors. eta vs tors. theta energy: -47.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -595.193698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.193698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.193698 (E_RNA) where: Base-Base interactions energy: -309.645 where: short stacking energy: -166.742 Base-Backbone interact. energy: -1.373 local terms energy: -284.176388 where: bonds (distance) C4'-P energy: -83.753 bonds (distance) P-C4' energy: -80.314 flat angles C4'-P-C4' energy: -75.275 flat angles P-C4'-P energy: -39.470 tors. eta vs tors. theta energy: -5.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -495.136987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.136987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.136987 (E_RNA) where: Base-Base interactions energy: -222.943 where: short stacking energy: -135.986 Base-Backbone interact. energy: -3.846 local terms energy: -268.347671 where: bonds (distance) C4'-P energy: -73.295 bonds (distance) P-C4' energy: -83.398 flat angles C4'-P-C4' energy: -65.653 flat angles P-C4'-P energy: -45.627 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: 9 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -1589.372130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.372130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.372130 (E_RNA) where: Base-Base interactions energy: -1074.208 where: short stacking energy: -470.760 Base-Backbone interact. energy: -3.185 local terms energy: -511.979126 where: bonds (distance) C4'-P energy: -101.376 bonds (distance) P-C4' energy: -101.755 flat angles C4'-P-C4' energy: -110.650 flat angles P-C4'-P energy: -65.577 tors. eta vs tors. theta energy: -132.620 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: 2 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -1415.953573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.953573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.953573 (E_RNA) where: Base-Base interactions energy: -920.182 where: short stacking energy: -444.549 Base-Backbone interact. energy: -0.894 local terms energy: -494.877413 where: bonds (distance) C4'-P energy: -93.368 bonds (distance) P-C4' energy: -97.585 flat angles C4'-P-C4' energy: -106.056 flat angles P-C4'-P energy: -65.407 tors. eta vs tors. theta energy: -132.461 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: 10 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -1346.019548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.019548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.019548 (E_RNA) where: Base-Base interactions energy: -865.803 where: short stacking energy: -404.755 Base-Backbone interact. energy: -0.464 local terms energy: -479.752873 where: bonds (distance) C4'-P energy: -78.561 bonds (distance) P-C4' energy: -106.294 flat angles C4'-P-C4' energy: -105.210 flat angles P-C4'-P energy: -71.531 tors. eta vs tors. theta energy: -118.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -1225.503048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.503048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.503048 (E_RNA) where: Base-Base interactions energy: -787.649 where: short stacking energy: -378.374 Base-Backbone interact. energy: -0.561 local terms energy: -437.293055 where: bonds (distance) C4'-P energy: -86.903 bonds (distance) P-C4' energy: -98.409 flat angles C4'-P-C4' energy: -89.301 flat angles P-C4'-P energy: -56.482 tors. eta vs tors. theta energy: -106.199 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: 491 Temperature: 1.100000 Total energy: -1170.991602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.991602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.991602 (E_RNA) where: Base-Base interactions energy: -746.453 where: short stacking energy: -333.448 Base-Backbone interact. energy: -2.053 local terms energy: -422.485393 where: bonds (distance) C4'-P energy: -83.005 bonds (distance) P-C4' energy: -94.825 flat angles C4'-P-C4' energy: -92.073 flat angles P-C4'-P energy: -70.842 tors. eta vs tors. theta energy: -81.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -1065.373274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.373274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.373274 (E_RNA) where: Base-Base interactions energy: -670.624 where: short stacking energy: -312.367 Base-Backbone interact. energy: -2.480 local terms energy: -392.268828 where: bonds (distance) C4'-P energy: -91.680 bonds (distance) P-C4' energy: -82.937 flat angles C4'-P-C4' energy: -89.651 flat angles P-C4'-P energy: -54.590 tors. eta vs tors. theta energy: -73.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -820.754529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.754529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.754529 (E_RNA) where: Base-Base interactions energy: -481.119 where: short stacking energy: -240.545 Base-Backbone interact. energy: 0.747 local terms energy: -340.383080 where: bonds (distance) C4'-P energy: -87.036 bonds (distance) P-C4' energy: -87.981 flat angles C4'-P-C4' energy: -73.110 flat angles P-C4'-P energy: -53.733 tors. eta vs tors. theta energy: -38.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -720.189398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.189398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.189398 (E_RNA) where: Base-Base interactions energy: -392.828 where: short stacking energy: -212.094 Base-Backbone interact. energy: -0.255 local terms energy: -327.106626 where: bonds (distance) C4'-P energy: -90.458 bonds (distance) P-C4' energy: -75.006 flat angles C4'-P-C4' energy: -76.073 flat angles P-C4'-P energy: -49.951 tors. eta vs tors. theta energy: -35.618 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: 9, replica: 8 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -546.560555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.560555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.560555 (E_RNA) where: Base-Base interactions energy: -253.996 where: short stacking energy: -135.161 Base-Backbone interact. energy: -3.164 local terms energy: -289.400713 where: bonds (distance) C4'-P energy: -78.863 bonds (distance) P-C4' energy: -88.104 flat angles C4'-P-C4' energy: -79.566 flat angles P-C4'-P energy: -42.014 tors. eta vs tors. theta energy: -0.853 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: 3 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -488.303547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.303547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.303547 (E_RNA) where: Base-Base interactions energy: -226.309 where: short stacking energy: -136.276 Base-Backbone interact. energy: -1.950 local terms energy: -260.044330 where: bonds (distance) C4'-P energy: -70.070 bonds (distance) P-C4' energy: -77.771 flat angles C4'-P-C4' energy: -68.833 flat angles P-C4'-P energy: -35.471 tors. eta vs tors. theta energy: -7.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -1572.463468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.463468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.463468 (E_RNA) where: Base-Base interactions energy: -1057.291 where: short stacking energy: -488.461 Base-Backbone interact. energy: -0.735 local terms energy: -514.437782 where: bonds (distance) C4'-P energy: -88.971 bonds (distance) P-C4' energy: -109.479 flat angles C4'-P-C4' energy: -110.776 flat angles P-C4'-P energy: -67.813 tors. eta vs tors. theta energy: -137.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -1430.768163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.768163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.768163 (E_RNA) where: Base-Base interactions energy: -929.158 where: short stacking energy: -450.338 Base-Backbone interact. energy: -0.078 local terms energy: -501.532617 where: bonds (distance) C4'-P energy: -91.603 bonds (distance) P-C4' energy: -98.076 flat angles C4'-P-C4' energy: -108.212 flat angles P-C4'-P energy: -66.576 tors. eta vs tors. theta energy: -137.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -1281.781312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.781312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.781312 (E_RNA) where: Base-Base interactions energy: -806.969 where: short stacking energy: -388.181 Base-Backbone interact. energy: -1.682 local terms energy: -473.130778 where: bonds (distance) C4'-P energy: -79.646 bonds (distance) P-C4' energy: -95.284 flat angles C4'-P-C4' energy: -106.700 flat angles P-C4'-P energy: -79.271 tors. eta vs tors. theta energy: -112.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -1313.030277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.030277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.030277 (E_RNA) where: Base-Base interactions energy: -863.737 where: short stacking energy: -397.604 Base-Backbone interact. energy: -0.292 local terms energy: -449.001182 where: bonds (distance) C4'-P energy: -98.741 bonds (distance) P-C4' energy: -69.787 flat angles C4'-P-C4' energy: -108.046 flat angles P-C4'-P energy: -62.093 tors. eta vs tors. theta energy: -110.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -1175.634628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.634628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.634628 (E_RNA) where: Base-Base interactions energy: -772.025 where: short stacking energy: -368.219 Base-Backbone interact. energy: -0.449 local terms energy: -403.160580 where: bonds (distance) C4'-P energy: -78.393 bonds (distance) P-C4' energy: -74.724 flat angles C4'-P-C4' energy: -96.060 flat angles P-C4'-P energy: -56.251 tors. eta vs tors. theta energy: -97.733 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: 7 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -1058.033886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.033886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.033886 (E_RNA) where: Base-Base interactions energy: -688.014 where: short stacking energy: -305.144 Base-Backbone interact. energy: 1.421 local terms energy: -371.441672 where: bonds (distance) C4'-P energy: -78.090 bonds (distance) P-C4' energy: -91.263 flat angles C4'-P-C4' energy: -85.185 flat angles P-C4'-P energy: -62.074 tors. eta vs tors. theta energy: -54.829 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: 7, replica: 6 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -839.109397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.109397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.109397 (E_RNA) where: Base-Base interactions energy: -492.059 where: short stacking energy: -246.628 Base-Backbone interact. energy: 1.134 local terms energy: -348.183920 where: bonds (distance) C4'-P energy: -87.832 bonds (distance) P-C4' energy: -88.057 flat angles C4'-P-C4' energy: -89.083 flat angles P-C4'-P energy: -28.300 tors. eta vs tors. theta energy: -54.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -719.905961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.905961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.905961 (E_RNA) where: Base-Base interactions energy: -413.398 where: short stacking energy: -214.699 Base-Backbone interact. energy: -1.698 local terms energy: -304.809138 where: bonds (distance) C4'-P energy: -78.692 bonds (distance) P-C4' energy: -81.328 flat angles C4'-P-C4' energy: -69.118 flat angles P-C4'-P energy: -38.740 tors. eta vs tors. theta energy: -36.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -537.006529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.006529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.006529 (E_RNA) where: Base-Base interactions energy: -255.889 where: short stacking energy: -163.646 Base-Backbone interact. energy: -2.416 local terms energy: -278.701631 where: bonds (distance) C4'-P energy: -68.594 bonds (distance) P-C4' energy: -69.238 flat angles C4'-P-C4' energy: -83.204 flat angles P-C4'-P energy: -55.235 tors. eta vs tors. theta energy: -2.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -508.141471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.141471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.141471 (E_RNA) where: Base-Base interactions energy: -219.626 where: short stacking energy: -129.437 Base-Backbone interact. energy: -0.449 local terms energy: -288.066750 where: bonds (distance) C4'-P energy: -86.669 bonds (distance) P-C4' energy: -103.635 flat angles C4'-P-C4' energy: -66.449 flat angles P-C4'-P energy: -36.582 tors. eta vs tors. theta energy: 5.269 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: 1, replica: 9 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -1586.658798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.658798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.658798 (E_RNA) where: Base-Base interactions energy: -1088.022 where: short stacking energy: -476.142 Base-Backbone interact. energy: 4.321 local terms energy: -502.958039 where: bonds (distance) C4'-P energy: -97.584 bonds (distance) P-C4' energy: -94.254 flat angles C4'-P-C4' energy: -106.953 flat angles P-C4'-P energy: -63.211 tors. eta vs tors. theta energy: -140.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -1451.898841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.898841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.898841 (E_RNA) where: Base-Base interactions energy: -954.457 where: short stacking energy: -442.412 Base-Backbone interact. energy: -0.562 local terms energy: -496.879893 where: bonds (distance) C4'-P energy: -91.274 bonds (distance) P-C4' energy: -90.949 flat angles C4'-P-C4' energy: -110.439 flat angles P-C4'-P energy: -65.751 tors. eta vs tors. theta energy: -138.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -1294.274433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.274433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.274433 (E_RNA) where: Base-Base interactions energy: -832.059 where: short stacking energy: -396.688 Base-Backbone interact. energy: -2.682 local terms energy: -459.533391 where: bonds (distance) C4'-P energy: -93.232 bonds (distance) P-C4' energy: -88.805 flat angles C4'-P-C4' energy: -97.407 flat angles P-C4'-P energy: -68.987 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: 4, replica: 10 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -1282.643035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.643035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.643035 (E_RNA) where: Base-Base interactions energy: -828.092 where: short stacking energy: -353.170 Base-Backbone interact. energy: -2.640 local terms energy: -451.910570 where: bonds (distance) C4'-P energy: -102.863 bonds (distance) P-C4' energy: -101.347 flat angles C4'-P-C4' energy: -97.581 flat angles P-C4'-P energy: -51.160 tors. eta vs tors. theta energy: -98.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -1127.195646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.195646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.195646 (E_RNA) where: Base-Base interactions energy: -738.910 where: short stacking energy: -335.390 Base-Backbone interact. energy: 1.866 local terms energy: -390.152035 where: bonds (distance) C4'-P energy: -90.505 bonds (distance) P-C4' energy: -84.474 flat angles C4'-P-C4' energy: -77.595 flat angles P-C4'-P energy: -54.310 tors. eta vs tors. theta energy: -83.268 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: 7 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -1070.489676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.489676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.489676 (E_RNA) where: Base-Base interactions energy: -658.940 where: short stacking energy: -296.992 Base-Backbone interact. energy: -0.779 local terms energy: -410.770446 where: bonds (distance) C4'-P energy: -97.368 bonds (distance) P-C4' energy: -78.961 flat angles C4'-P-C4' energy: -97.636 flat angles P-C4'-P energy: -66.582 tors. eta vs tors. theta energy: -70.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -808.862108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.862108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.862108 (E_RNA) where: Base-Base interactions energy: -464.689 where: short stacking energy: -242.861 Base-Backbone interact. energy: 0.018 local terms energy: -344.191396 where: bonds (distance) C4'-P energy: -85.531 bonds (distance) P-C4' energy: -94.514 flat angles C4'-P-C4' energy: -76.830 flat angles P-C4'-P energy: -43.942 tors. eta vs tors. theta energy: -43.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -720.840651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.840651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.840651 (E_RNA) where: Base-Base interactions energy: -393.979 where: short stacking energy: -214.211 Base-Backbone interact. energy: 0.472 local terms energy: -327.333195 where: bonds (distance) C4'-P energy: -88.805 bonds (distance) P-C4' energy: -88.415 flat angles C4'-P-C4' energy: -77.305 flat angles P-C4'-P energy: -49.116 tors. eta vs tors. theta energy: -23.693 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: 3 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -545.705533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.705533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.705533 (E_RNA) where: Base-Base interactions energy: -265.098 where: short stacking energy: -154.886 Base-Backbone interact. energy: -2.709 local terms energy: -277.898464 where: bonds (distance) C4'-P energy: -77.981 bonds (distance) P-C4' energy: -76.165 flat angles C4'-P-C4' energy: -65.425 flat angles P-C4'-P energy: -43.619 tors. eta vs tors. theta energy: -14.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -456.363122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.363122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.363122 (E_RNA) where: Base-Base interactions energy: -225.803 where: short stacking energy: -119.605 Base-Backbone interact. energy: 3.310 local terms energy: -233.870229 where: bonds (distance) C4'-P energy: -61.688 bonds (distance) P-C4' energy: -70.471 flat angles C4'-P-C4' energy: -64.731 flat angles P-C4'-P energy: -42.384 tors. eta vs tors. theta energy: 5.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -1569.023625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.023625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.023625 (E_RNA) where: Base-Base interactions energy: -1062.456 where: short stacking energy: -466.534 Base-Backbone interact. energy: -1.863 local terms energy: -504.704991 where: bonds (distance) C4'-P energy: -93.314 bonds (distance) P-C4' energy: -97.611 flat angles C4'-P-C4' energy: -104.749 flat angles P-C4'-P energy: -64.569 tors. eta vs tors. theta energy: -144.462 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: 2 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -1403.645538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.645538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.645538 (E_RNA) where: Base-Base interactions energy: -908.824 where: short stacking energy: -430.310 Base-Backbone interact. energy: -0.036 local terms energy: -494.785592 where: bonds (distance) C4'-P energy: -84.017 bonds (distance) P-C4' energy: -100.799 flat angles C4'-P-C4' energy: -105.330 flat angles P-C4'-P energy: -75.605 tors. eta vs tors. theta energy: -129.034 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: 10 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -1350.816532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.816532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.816532 (E_RNA) where: Base-Base interactions energy: -888.026 where: short stacking energy: -407.013 Base-Backbone interact. energy: -2.316 local terms energy: -460.474844 where: bonds (distance) C4'-P energy: -88.727 bonds (distance) P-C4' energy: -98.630 flat angles C4'-P-C4' energy: -104.792 flat angles P-C4'-P energy: -55.466 tors. eta vs tors. theta energy: -112.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -1212.208073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.208073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.208073 (E_RNA) where: Base-Base interactions energy: -792.391 where: short stacking energy: -379.559 Base-Backbone interact. energy: -2.636 local terms energy: -417.181373 where: bonds (distance) C4'-P energy: -83.527 bonds (distance) P-C4' energy: -85.784 flat angles C4'-P-C4' energy: -90.312 flat angles P-C4'-P energy: -66.624 tors. eta vs tors. theta energy: -90.934 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: 494 Temperature: 1.100000 Total energy: -1145.004572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.004572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.004572 (E_RNA) where: Base-Base interactions energy: -719.708 where: short stacking energy: -330.497 Base-Backbone interact. energy: -1.221 local terms energy: -424.075372 where: bonds (distance) C4'-P energy: -89.393 bonds (distance) P-C4' energy: -81.023 flat angles C4'-P-C4' energy: -93.806 flat angles P-C4'-P energy: -55.599 tors. eta vs tors. theta energy: -104.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -1059.519824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.519824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.519824 (E_RNA) where: Base-Base interactions energy: -675.304 where: short stacking energy: -297.379 Base-Backbone interact. energy: 0.948 local terms energy: -385.163969 where: bonds (distance) C4'-P energy: -89.113 bonds (distance) P-C4' energy: -86.135 flat angles C4'-P-C4' energy: -77.486 flat angles P-C4'-P energy: -59.067 tors. eta vs tors. theta energy: -73.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -837.235091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.235091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.235091 (E_RNA) where: Base-Base interactions energy: -510.528 where: short stacking energy: -268.740 Base-Backbone interact. energy: 1.920 local terms energy: -328.627137 where: bonds (distance) C4'-P energy: -69.686 bonds (distance) P-C4' energy: -88.837 flat angles C4'-P-C4' energy: -89.906 flat angles P-C4'-P energy: -41.030 tors. eta vs tors. theta energy: -39.168 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: 494 Temperature: 1.250000 Total energy: -646.728893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.728893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.728893 (E_RNA) where: Base-Base interactions energy: -339.599 where: short stacking energy: -202.901 Base-Backbone interact. energy: -2.942 local terms energy: -304.188255 where: bonds (distance) C4'-P energy: -59.979 bonds (distance) P-C4' energy: -93.583 flat angles C4'-P-C4' energy: -75.860 flat angles P-C4'-P energy: -54.611 tors. eta vs tors. theta energy: -20.155 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: 9, replica: 3 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -574.792965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.792965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.792965 (E_RNA) where: Base-Base interactions energy: -295.877 where: short stacking energy: -142.015 Base-Backbone interact. energy: 0.348 local terms energy: -279.263796 where: bonds (distance) C4'-P energy: -74.768 bonds (distance) P-C4' energy: -94.224 flat angles C4'-P-C4' energy: -80.147 flat angles P-C4'-P energy: -35.344 tors. eta vs tors. theta energy: 5.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -452.939111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.939111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.939111 (E_RNA) where: Base-Base interactions energy: -191.907 where: short stacking energy: -130.690 Base-Backbone interact. energy: -1.244 local terms energy: -259.787658 where: bonds (distance) C4'-P energy: -82.478 bonds (distance) P-C4' energy: -84.180 flat angles C4'-P-C4' energy: -62.522 flat angles P-C4'-P energy: -40.914 tors. eta vs tors. theta energy: 10.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -1589.846294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.846294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.846294 (E_RNA) where: Base-Base interactions energy: -1069.516 where: short stacking energy: -483.073 Base-Backbone interact. energy: -0.766 local terms energy: -519.563850 where: bonds (distance) C4'-P energy: -89.416 bonds (distance) P-C4' energy: -94.310 flat angles C4'-P-C4' energy: -111.495 flat angles P-C4'-P energy: -85.865 tors. eta vs tors. theta energy: -138.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -1397.077009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.077009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.077009 (E_RNA) where: Base-Base interactions energy: -914.258 where: short stacking energy: -407.532 Base-Backbone interact. energy: -1.056 local terms energy: -481.762496 where: bonds (distance) C4'-P energy: -96.667 bonds (distance) P-C4' energy: -94.543 flat angles C4'-P-C4' energy: -100.491 flat angles P-C4'-P energy: -62.149 tors. eta vs tors. theta energy: -127.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -1331.116816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.116816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.116816 (E_RNA) where: Base-Base interactions energy: -859.902 where: short stacking energy: -406.093 Base-Backbone interact. energy: -0.682 local terms energy: -470.532079 where: bonds (distance) C4'-P energy: -95.025 bonds (distance) P-C4' energy: -85.477 flat angles C4'-P-C4' energy: -112.291 flat angles P-C4'-P energy: -65.342 tors. eta vs tors. theta energy: -112.396 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: 1 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -1237.669645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.669645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.669645 (E_RNA) where: Base-Base interactions energy: -787.146 where: short stacking energy: -385.351 Base-Backbone interact. energy: 0.164 local terms energy: -450.687947 where: bonds (distance) C4'-P energy: -80.723 bonds (distance) P-C4' energy: -101.143 flat angles C4'-P-C4' energy: -95.767 flat angles P-C4'-P energy: -70.548 tors. eta vs tors. theta energy: -102.507 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: 495 Temperature: 1.100000 Total energy: -1146.661433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.661433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.661433 (E_RNA) where: Base-Base interactions energy: -737.494 where: short stacking energy: -345.592 Base-Backbone interact. energy: -1.332 local terms energy: -407.835698 where: bonds (distance) C4'-P energy: -87.858 bonds (distance) P-C4' energy: -90.364 flat angles C4'-P-C4' energy: -86.824 flat angles P-C4'-P energy: -62.756 tors. eta vs tors. theta energy: -80.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -1026.964891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.964891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.964891 (E_RNA) where: Base-Base interactions energy: -654.728 where: short stacking energy: -318.507 Base-Backbone interact. energy: -2.117 local terms energy: -370.119512 where: bonds (distance) C4'-P energy: -68.875 bonds (distance) P-C4' energy: -96.369 flat angles C4'-P-C4' energy: -92.011 flat angles P-C4'-P energy: -44.460 tors. eta vs tors. theta energy: -68.405 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: 6 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -834.006094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.006094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.006094 (E_RNA) where: Base-Base interactions energy: -495.428 where: short stacking energy: -233.182 Base-Backbone interact. energy: 0.572 local terms energy: -339.150587 where: bonds (distance) C4'-P energy: -87.553 bonds (distance) P-C4' energy: -83.690 flat angles C4'-P-C4' energy: -84.281 flat angles P-C4'-P energy: -44.647 tors. eta vs tors. theta energy: -38.981 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: 495 Temperature: 1.250000 Total energy: -651.331699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.331699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.331699 (E_RNA) where: Base-Base interactions energy: -345.230 where: short stacking energy: -181.493 Base-Backbone interact. energy: 2.422 local terms energy: -308.523993 where: bonds (distance) C4'-P energy: -88.515 bonds (distance) P-C4' energy: -88.286 flat angles C4'-P-C4' energy: -79.560 flat angles P-C4'-P energy: -48.456 tors. eta vs tors. theta energy: -3.707 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: 3 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -601.971010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.971010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.971010 (E_RNA) where: Base-Base interactions energy: -313.379 where: short stacking energy: -194.942 Base-Backbone interact. energy: 3.497 local terms energy: -292.088836 where: bonds (distance) C4'-P energy: -82.628 bonds (distance) P-C4' energy: -65.065 flat angles C4'-P-C4' energy: -57.616 flat angles P-C4'-P energy: -46.722 tors. eta vs tors. theta energy: -40.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -493.120676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.120676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.120676 (E_RNA) where: Base-Base interactions energy: -246.276 where: short stacking energy: -136.050 Base-Backbone interact. energy: -3.392 local terms energy: -243.452412 where: bonds (distance) C4'-P energy: -65.426 bonds (distance) P-C4' energy: -78.366 flat angles C4'-P-C4' energy: -59.013 flat angles P-C4'-P energy: -34.651 tors. eta vs tors. theta energy: -5.996 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: 9 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -1568.943912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.943912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.943912 (E_RNA) where: Base-Base interactions energy: -1057.124 where: short stacking energy: -481.470 Base-Backbone interact. energy: -2.342 local terms energy: -509.477497 where: bonds (distance) C4'-P energy: -96.459 bonds (distance) P-C4' energy: -98.107 flat angles C4'-P-C4' energy: -112.776 flat angles P-C4'-P energy: -61.735 tors. eta vs tors. theta energy: -140.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -1361.214964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.214964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.214964 (E_RNA) where: Base-Base interactions energy: -901.923 where: short stacking energy: -407.401 Base-Backbone interact. energy: -3.240 local terms energy: -456.052368 where: bonds (distance) C4'-P energy: -95.126 bonds (distance) P-C4' energy: -96.413 flat angles C4'-P-C4' energy: -88.140 flat angles P-C4'-P energy: -64.802 tors. eta vs tors. theta energy: -111.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -1358.203084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.203084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.203084 (E_RNA) where: Base-Base interactions energy: -890.591 where: short stacking energy: -405.016 Base-Backbone interact. energy: -1.037 local terms energy: -466.574613 where: bonds (distance) C4'-P energy: -85.646 bonds (distance) P-C4' energy: -86.317 flat angles C4'-P-C4' energy: -102.724 flat angles P-C4'-P energy: -70.528 tors. eta vs tors. theta energy: -121.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -1260.011338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.011338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.011338 (E_RNA) where: Base-Base interactions energy: -850.428 where: short stacking energy: -407.148 Base-Backbone interact. energy: -0.940 local terms energy: -408.642713 where: bonds (distance) C4'-P energy: -77.385 bonds (distance) P-C4' energy: -77.764 flat angles C4'-P-C4' energy: -88.357 flat angles P-C4'-P energy: -62.047 tors. eta vs tors. theta energy: -103.091 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: 5 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -1200.990140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.990140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.990140 (E_RNA) where: Base-Base interactions energy: -760.747 where: short stacking energy: -367.327 Base-Backbone interact. energy: 2.021 local terms energy: -442.264205 where: bonds (distance) C4'-P energy: -83.558 bonds (distance) P-C4' energy: -84.580 flat angles C4'-P-C4' energy: -96.611 flat angles P-C4'-P energy: -75.989 tors. eta vs tors. theta energy: -101.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -1045.148518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.148518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.148518 (E_RNA) where: Base-Base interactions energy: -652.418 where: short stacking energy: -294.958 Base-Backbone interact. energy: -1.606 local terms energy: -391.124270 where: bonds (distance) C4'-P energy: -92.014 bonds (distance) P-C4' energy: -99.871 flat angles C4'-P-C4' energy: -88.292 flat angles P-C4'-P energy: -47.482 tors. eta vs tors. theta energy: -63.466 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: 6 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -829.793323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.793323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.793323 (E_RNA) where: Base-Base interactions energy: -469.184 where: short stacking energy: -226.644 Base-Backbone interact. energy: -0.891 local terms energy: -359.719072 where: bonds (distance) C4'-P energy: -74.048 bonds (distance) P-C4' energy: -96.364 flat angles C4'-P-C4' energy: -97.512 flat angles P-C4'-P energy: -51.568 tors. eta vs tors. theta energy: -40.228 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: 4 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -671.196583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.196583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.196583 (E_RNA) where: Base-Base interactions energy: -383.901 where: short stacking energy: -199.806 Base-Backbone interact. energy: -1.576 local terms energy: -285.719719 where: bonds (distance) C4'-P energy: -87.901 bonds (distance) P-C4' energy: -63.993 flat angles C4'-P-C4' energy: -68.937 flat angles P-C4'-P energy: -43.468 tors. eta vs tors. theta energy: -21.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -605.767482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.767482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.767482 (E_RNA) where: Base-Base interactions energy: -303.529 where: short stacking energy: -174.248 Base-Backbone interact. energy: -1.732 local terms energy: -300.506802 where: bonds (distance) C4'-P energy: -82.183 bonds (distance) P-C4' energy: -78.650 flat angles C4'-P-C4' energy: -73.381 flat angles P-C4'-P energy: -53.011 tors. eta vs tors. theta energy: -13.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -458.434354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.434354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.434354 (E_RNA) where: Base-Base interactions energy: -216.901 where: short stacking energy: -131.100 Base-Backbone interact. energy: -0.397 local terms energy: -241.136659 where: bonds (distance) C4'-P energy: -69.224 bonds (distance) P-C4' energy: -91.133 flat angles C4'-P-C4' energy: -54.754 flat angles P-C4'-P energy: -43.902 tors. eta vs tors. theta energy: 17.877 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: 9 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -1577.140217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.140217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.140217 (E_RNA) where: Base-Base interactions energy: -1069.582 where: short stacking energy: -479.427 Base-Backbone interact. energy: -1.752 local terms energy: -505.806216 where: bonds (distance) C4'-P energy: -93.640 bonds (distance) P-C4' energy: -98.371 flat angles C4'-P-C4' energy: -104.967 flat angles P-C4'-P energy: -71.659 tors. eta vs tors. theta energy: -137.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -1384.911524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.911524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.911524 (E_RNA) where: Base-Base interactions energy: -911.874 where: short stacking energy: -399.720 Base-Backbone interact. energy: -0.791 local terms energy: -472.246617 where: bonds (distance) C4'-P energy: -88.486 bonds (distance) P-C4' energy: -98.451 flat angles C4'-P-C4' energy: -106.026 flat angles P-C4'-P energy: -74.136 tors. eta vs tors. theta energy: -105.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -1372.476205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.476205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.476205 (E_RNA) where: Base-Base interactions energy: -906.228 where: short stacking energy: -424.576 Base-Backbone interact. energy: -1.306 local terms energy: -464.942085 where: bonds (distance) C4'-P energy: -82.777 bonds (distance) P-C4' energy: -88.178 flat angles C4'-P-C4' energy: -109.079 flat angles P-C4'-P energy: -72.975 tors. eta vs tors. theta energy: -111.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -1254.852709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.852709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.852709 (E_RNA) where: Base-Base interactions energy: -818.129 where: short stacking energy: -394.182 Base-Backbone interact. energy: -1.478 local terms energy: -435.245062 where: bonds (distance) C4'-P energy: -84.128 bonds (distance) P-C4' energy: -86.220 flat angles C4'-P-C4' energy: -102.748 flat angles P-C4'-P energy: -55.127 tors. eta vs tors. theta energy: -107.022 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: 5 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -1184.438681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.438681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.438681 (E_RNA) where: Base-Base interactions energy: -768.965 where: short stacking energy: -361.842 Base-Backbone interact. energy: 0.167 local terms energy: -415.641405 where: bonds (distance) C4'-P energy: -83.617 bonds (distance) P-C4' energy: -71.786 flat angles C4'-P-C4' energy: -98.067 flat angles P-C4'-P energy: -66.792 tors. eta vs tors. theta energy: -95.380 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: 6, replica: 7 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -1071.520071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.520071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.520071 (E_RNA) where: Base-Base interactions energy: -682.746 where: short stacking energy: -318.857 Base-Backbone interact. energy: -0.331 local terms energy: -388.443266 where: bonds (distance) C4'-P energy: -73.059 bonds (distance) P-C4' energy: -97.739 flat angles C4'-P-C4' energy: -88.822 flat angles P-C4'-P energy: -67.093 tors. eta vs tors. theta energy: -61.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -845.321922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.321922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.321922 (E_RNA) where: Base-Base interactions energy: -483.056 where: short stacking energy: -254.771 Base-Backbone interact. energy: 0.273 local terms energy: -362.539704 where: bonds (distance) C4'-P energy: -83.280 bonds (distance) P-C4' energy: -94.720 flat angles C4'-P-C4' energy: -96.220 flat angles P-C4'-P energy: -46.143 tors. eta vs tors. theta energy: -42.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -678.058102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.058102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.058102 (E_RNA) where: Base-Base interactions energy: -355.475 where: short stacking energy: -180.789 Base-Backbone interact. energy: 3.751 local terms energy: -326.334032 where: bonds (distance) C4'-P energy: -94.917 bonds (distance) P-C4' energy: -91.550 flat angles C4'-P-C4' energy: -75.344 flat angles P-C4'-P energy: -50.683 tors. eta vs tors. theta energy: -13.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -555.660859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.660859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.660859 (E_RNA) where: Base-Base interactions energy: -289.014 where: short stacking energy: -151.426 Base-Backbone interact. energy: -1.473 local terms energy: -265.173121 where: bonds (distance) C4'-P energy: -79.952 bonds (distance) P-C4' energy: -87.737 flat angles C4'-P-C4' energy: -67.415 flat angles P-C4'-P energy: -25.673 tors. eta vs tors. theta energy: -4.396 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: 8 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -503.701587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.701587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.701587 (E_RNA) where: Base-Base interactions energy: -229.213 where: short stacking energy: -125.454 Base-Backbone interact. energy: -2.318 local terms energy: -272.170082 where: bonds (distance) C4'-P energy: -85.037 bonds (distance) P-C4' energy: -81.929 flat angles C4'-P-C4' energy: -76.085 flat angles P-C4'-P energy: -39.336 tors. eta vs tors. theta energy: 10.217 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: 9 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -1566.079121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.079121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.079121 (E_RNA) where: Base-Base interactions energy: -1054.332 where: short stacking energy: -458.492 Base-Backbone interact. energy: -1.372 local terms energy: -510.374590 where: bonds (distance) C4'-P energy: -92.033 bonds (distance) P-C4' energy: -92.931 flat angles C4'-P-C4' energy: -112.564 flat angles P-C4'-P energy: -79.489 tors. eta vs tors. theta energy: -133.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -1420.004668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.004668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.004668 (E_RNA) where: Base-Base interactions energy: -926.335 where: short stacking energy: -398.159 Base-Backbone interact. energy: -2.421 local terms energy: -491.248825 where: bonds (distance) C4'-P energy: -98.153 bonds (distance) P-C4' energy: -100.234 flat angles C4'-P-C4' energy: -99.272 flat angles P-C4'-P energy: -74.045 tors. eta vs tors. theta energy: -119.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -1372.236050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.236050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.236050 (E_RNA) where: Base-Base interactions energy: -886.630 where: short stacking energy: -420.952 Base-Backbone interact. energy: -2.894 local terms energy: -482.711462 where: bonds (distance) C4'-P energy: -92.371 bonds (distance) P-C4' energy: -91.541 flat angles C4'-P-C4' energy: -107.351 flat angles P-C4'-P energy: -65.581 tors. eta vs tors. theta energy: -125.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -1264.832679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.832679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.832679 (E_RNA) where: Base-Base interactions energy: -801.134 where: short stacking energy: -391.683 Base-Backbone interact. energy: -1.201 local terms energy: -462.497772 where: bonds (distance) C4'-P energy: -97.790 bonds (distance) P-C4' energy: -87.848 flat angles C4'-P-C4' energy: -94.055 flat angles P-C4'-P energy: -66.474 tors. eta vs tors. theta energy: -116.330 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: 5 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -1177.352532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.352532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.352532 (E_RNA) where: Base-Base interactions energy: -730.963 where: short stacking energy: -340.415 Base-Backbone interact. energy: -0.367 local terms energy: -446.021774 where: bonds (distance) C4'-P energy: -96.292 bonds (distance) P-C4' energy: -97.228 flat angles C4'-P-C4' energy: -97.980 flat angles P-C4'-P energy: -54.478 tors. eta vs tors. theta energy: -100.043 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: 7 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -1057.095249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.095249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.095249 (E_RNA) where: Base-Base interactions energy: -675.941 where: short stacking energy: -309.081 Base-Backbone interact. energy: -1.115 local terms energy: -380.039525 where: bonds (distance) C4'-P energy: -76.383 bonds (distance) P-C4' energy: -91.745 flat angles C4'-P-C4' energy: -86.016 flat angles P-C4'-P energy: -56.946 tors. eta vs tors. theta energy: -68.949 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: 498 Temperature: 1.200000 Total energy: -814.074054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.074054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.074054 (E_RNA) where: Base-Base interactions energy: -453.143 where: short stacking energy: -235.514 Base-Backbone interact. energy: 0.257 local terms energy: -361.187532 where: bonds (distance) C4'-P energy: -99.573 bonds (distance) P-C4' energy: -92.423 flat angles C4'-P-C4' energy: -83.331 flat angles P-C4'-P energy: -50.850 tors. eta vs tors. theta energy: -35.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -639.463405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.463405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.463405 (E_RNA) where: Base-Base interactions energy: -346.535 where: short stacking energy: -195.914 Base-Backbone interact. energy: 0.079 local terms energy: -293.007615 where: bonds (distance) C4'-P energy: -90.903 bonds (distance) P-C4' energy: -82.477 flat angles C4'-P-C4' energy: -68.590 flat angles P-C4'-P energy: -27.799 tors. eta vs tors. theta energy: -23.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -628.276568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.276568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.276568 (E_RNA) where: Base-Base interactions energy: -329.454 where: short stacking energy: -189.683 Base-Backbone interact. energy: -2.201 local terms energy: -296.620851 where: bonds (distance) C4'-P energy: -86.741 bonds (distance) P-C4' energy: -76.763 flat angles C4'-P-C4' energy: -70.727 flat angles P-C4'-P energy: -50.574 tors. eta vs tors. theta energy: -11.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -493.162196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.162196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.162196 (E_RNA) where: Base-Base interactions energy: -220.135 where: short stacking energy: -132.624 Base-Backbone interact. energy: -1.745 local terms energy: -271.281850 where: bonds (distance) C4'-P energy: -92.694 bonds (distance) P-C4' energy: -64.515 flat angles C4'-P-C4' energy: -77.452 flat angles P-C4'-P energy: -34.219 tors. eta vs tors. theta energy: -2.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -1570.376376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.376376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.376376 (E_RNA) where: Base-Base interactions energy: -1061.953 where: short stacking energy: -458.036 Base-Backbone interact. energy: -2.814 local terms energy: -505.608547 where: bonds (distance) C4'-P energy: -98.321 bonds (distance) P-C4' energy: -113.473 flat angles C4'-P-C4' energy: -102.076 flat angles P-C4'-P energy: -58.787 tors. eta vs tors. theta energy: -132.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -1404.141485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.141485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.141485 (E_RNA) where: Base-Base interactions energy: -946.613 where: short stacking energy: -413.818 Base-Backbone interact. energy: -0.901 local terms energy: -456.627644 where: bonds (distance) C4'-P energy: -95.538 bonds (distance) P-C4' energy: -93.213 flat angles C4'-P-C4' energy: -92.582 flat angles P-C4'-P energy: -58.240 tors. eta vs tors. theta energy: -117.054 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: 3, replica: 10 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -1368.184373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.184373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.184373 (E_RNA) where: Base-Base interactions energy: -894.001 where: short stacking energy: -401.045 Base-Backbone interact. energy: -1.942 local terms energy: -472.241821 where: bonds (distance) C4'-P energy: -97.216 bonds (distance) P-C4' energy: -86.955 flat angles C4'-P-C4' energy: -109.145 flat angles P-C4'-P energy: -73.677 tors. eta vs tors. theta energy: -105.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -1264.140150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.140150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.140150 (E_RNA) where: Base-Base interactions energy: -814.323 where: short stacking energy: -398.935 Base-Backbone interact. energy: -0.362 local terms energy: -449.455009 where: bonds (distance) C4'-P energy: -88.632 bonds (distance) P-C4' energy: -96.779 flat angles C4'-P-C4' energy: -97.806 flat angles P-C4'-P energy: -60.922 tors. eta vs tors. theta energy: -105.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -1133.177591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.177591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.177591 (E_RNA) where: Base-Base interactions energy: -725.794 where: short stacking energy: -321.585 Base-Backbone interact. energy: -1.933 local terms energy: -405.451138 where: bonds (distance) C4'-P energy: -77.206 bonds (distance) P-C4' energy: -86.999 flat angles C4'-P-C4' energy: -95.701 flat angles P-C4'-P energy: -64.905 tors. eta vs tors. theta energy: -80.640 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: 7 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -1048.333495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.333495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.333495 (E_RNA) where: Base-Base interactions energy: -652.291 where: short stacking energy: -308.448 Base-Backbone interact. energy: -1.267 local terms energy: -394.776161 where: bonds (distance) C4'-P energy: -84.529 bonds (distance) P-C4' energy: -79.992 flat angles C4'-P-C4' energy: -95.449 flat angles P-C4'-P energy: -53.631 tors. eta vs tors. theta energy: -81.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -856.726574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.726574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.726574 (E_RNA) where: Base-Base interactions energy: -491.454 where: short stacking energy: -259.240 Base-Backbone interact. energy: 1.250 local terms energy: -366.522607 where: bonds (distance) C4'-P energy: -82.139 bonds (distance) P-C4' energy: -87.864 flat angles C4'-P-C4' energy: -90.654 flat angles P-C4'-P energy: -50.751 tors. eta vs tors. theta energy: -55.114 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: 8, replica: 4 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -659.270871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.270871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.270871 (E_RNA) where: Base-Base interactions energy: -360.875 where: short stacking energy: -199.204 Base-Backbone interact. energy: -0.500 local terms energy: -297.895589 where: bonds (distance) C4'-P energy: -77.917 bonds (distance) P-C4' energy: -87.848 flat angles C4'-P-C4' energy: -79.685 flat angles P-C4'-P energy: -34.285 tors. eta vs tors. theta energy: -18.160 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: 3 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -572.140151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.140151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.140151 (E_RNA) where: Base-Base interactions energy: -293.407 where: short stacking energy: -174.878 Base-Backbone interact. energy: 2.109 local terms energy: -280.841805 where: bonds (distance) C4'-P energy: -80.886 bonds (distance) P-C4' energy: -69.850 flat angles C4'-P-C4' energy: -78.772 flat angles P-C4'-P energy: -57.358 tors. eta vs tors. theta energy: 6.025 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: 8 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -504.108123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.108123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.108123 (E_RNA) where: Base-Base interactions energy: -242.749 where: short stacking energy: -141.586 Base-Backbone interact. energy: 2.214 local terms energy: -263.573300 where: bonds (distance) C4'-P energy: -76.475 bonds (distance) P-C4' energy: -87.398 flat angles C4'-P-C4' energy: -63.414 flat angles P-C4'-P energy: -39.190 tors. eta vs tors. theta energy: 2.904 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: 9 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -1562.529100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.529100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.529100 (E_RNA) where: Base-Base interactions energy: -1051.769 where: short stacking energy: -472.603 Base-Backbone interact. energy: -0.538 local terms energy: -510.221925 where: bonds (distance) C4'-P energy: -99.553 bonds (distance) P-C4' energy: -101.675 flat angles C4'-P-C4' energy: -104.487 flat angles P-C4'-P energy: -73.793 tors. eta vs tors. theta energy: -130.714 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: 2, replica: 2 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -1385.683690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.683690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.683690 (E_RNA) where: Base-Base interactions energy: -902.580 where: short stacking energy: -430.065 Base-Backbone interact. energy: -2.392 local terms energy: -480.711327 where: bonds (distance) C4'-P energy: -96.305 bonds (distance) P-C4' energy: -90.700 flat angles C4'-P-C4' energy: -100.890 flat angles P-C4'-P energy: -68.993 tors. eta vs tors. theta energy: -123.824 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: 10 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -1375.627767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.627767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.627767 (E_RNA) where: Base-Base interactions energy: -915.861 where: short stacking energy: -416.869 Base-Backbone interact. energy: -0.998 local terms energy: -458.769135 where: bonds (distance) C4'-P energy: -84.939 bonds (distance) P-C4' energy: -85.213 flat angles C4'-P-C4' energy: -102.172 flat angles P-C4'-P energy: -73.931 tors. eta vs tors. theta energy: -112.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -1207.395985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.395985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.395985 (E_RNA) where: Base-Base interactions energy: -785.998 where: short stacking energy: -356.764 Base-Backbone interact. energy: 2.298 local terms energy: -423.695519 where: bonds (distance) C4'-P energy: -95.552 bonds (distance) P-C4' energy: -85.535 flat angles C4'-P-C4' energy: -94.188 flat angles P-C4'-P energy: -61.368 tors. eta vs tors. theta energy: -87.052 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: 500 Temperature: 1.100000 Total energy: -1188.444057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.444057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.444057 (E_RNA) where: Base-Base interactions energy: -760.661 where: short stacking energy: -360.300 Base-Backbone interact. energy: -0.816 local terms energy: -426.967938 where: bonds (distance) C4'-P energy: -87.624 bonds (distance) P-C4' energy: -96.375 flat angles C4'-P-C4' energy: -88.282 flat angles P-C4'-P energy: -58.141 tors. eta vs tors. theta energy: -96.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -1066.922130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.922130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.922130 (E_RNA) where: Base-Base interactions energy: -675.060 where: short stacking energy: -307.914 Base-Backbone interact. energy: -1.269 local terms energy: -390.593959 where: bonds (distance) C4'-P energy: -85.579 bonds (distance) P-C4' energy: -84.269 flat angles C4'-P-C4' energy: -98.601 flat angles P-C4'-P energy: -51.229 tors. eta vs tors. theta energy: -70.916 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: 7, replica: 6 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -845.513019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.513019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.513019 (E_RNA) where: Base-Base interactions energy: -498.215 where: short stacking energy: -245.388 Base-Backbone interact. energy: 0.844 local terms energy: -348.142094 where: bonds (distance) C4'-P energy: -85.038 bonds (distance) P-C4' energy: -78.486 flat angles C4'-P-C4' energy: -94.040 flat angles P-C4'-P energy: -48.705 tors. eta vs tors. theta energy: -41.873 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: 8, replica: 4 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -603.076969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.076969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.076969 (E_RNA) where: Base-Base interactions energy: -320.835 where: short stacking energy: -165.444 Base-Backbone interact. energy: -1.306 local terms energy: -280.935805 where: bonds (distance) C4'-P energy: -78.253 bonds (distance) P-C4' energy: -95.029 flat angles C4'-P-C4' energy: -74.889 flat angles P-C4'-P energy: -33.072 tors. eta vs tors. theta energy: 0.308 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: 500 Temperature: 1.300000 Total energy: -593.899906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.899906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.899906 (E_RNA) where: Base-Base interactions energy: -305.178 where: short stacking energy: -164.031 Base-Backbone interact. energy: 1.941 local terms energy: -290.662563 where: bonds (distance) C4'-P energy: -80.231 bonds (distance) P-C4' energy: -87.062 flat angles C4'-P-C4' energy: -74.402 flat angles P-C4'-P energy: -42.914 tors. eta vs tors. theta energy: -6.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -517.251352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.251352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.251352 (E_RNA) where: Base-Base interactions energy: -262.942 where: short stacking energy: -171.713 Base-Backbone interact. energy: 1.196 local terms energy: -255.504936 where: bonds (distance) C4'-P energy: -67.513 bonds (distance) P-C4' energy: -65.454 flat angles C4'-P-C4' energy: -84.986 flat angles P-C4'-P energy: -31.580 tors. eta vs tors. theta energy: -5.971 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: 9 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -1561.872610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.872610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.872610 (E_RNA) where: Base-Base interactions energy: -1073.340 where: short stacking energy: -471.635 Base-Backbone interact. energy: -1.919 local terms energy: -486.614086 where: bonds (distance) C4'-P energy: -90.583 bonds (distance) P-C4' energy: -89.681 flat angles C4'-P-C4' energy: -107.557 flat angles P-C4'-P energy: -61.524 tors. eta vs tors. theta energy: -137.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -1353.416573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.416573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.416573 (E_RNA) where: Base-Base interactions energy: -894.539 where: short stacking energy: -410.782 Base-Backbone interact. energy: -3.689 local terms energy: -455.188950 where: bonds (distance) C4'-P energy: -93.509 bonds (distance) P-C4' energy: -90.451 flat angles C4'-P-C4' energy: -90.890 flat angles P-C4'-P energy: -70.362 tors. eta vs tors. theta energy: -109.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -1350.186331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.186331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.186331 (E_RNA) where: Base-Base interactions energy: -892.298 where: short stacking energy: -399.377 Base-Backbone interact. energy: -1.796 local terms energy: -456.092102 where: bonds (distance) C4'-P energy: -95.048 bonds (distance) P-C4' energy: -90.048 flat angles C4'-P-C4' energy: -105.029 flat angles P-C4'-P energy: -62.586 tors. eta vs tors. theta energy: -103.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -1224.013440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.013440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.013440 (E_RNA) where: Base-Base interactions energy: -766.247 where: short stacking energy: -362.861 Base-Backbone interact. energy: -0.050 local terms energy: -457.716182 where: bonds (distance) C4'-P energy: -83.583 bonds (distance) P-C4' energy: -92.173 flat angles C4'-P-C4' energy: -110.572 flat angles P-C4'-P energy: -66.745 tors. eta vs tors. theta energy: -104.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -1208.534481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.534481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.534481 (E_RNA) where: Base-Base interactions energy: -809.875 where: short stacking energy: -357.544 Base-Backbone interact. energy: -0.738 local terms energy: -397.920849 where: bonds (distance) C4'-P energy: -78.733 bonds (distance) P-C4' energy: -75.155 flat angles C4'-P-C4' energy: -89.937 flat angles P-C4'-P energy: -60.667 tors. eta vs tors. theta energy: -93.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -1060.154224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.154224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.154224 (E_RNA) where: Base-Base interactions energy: -695.318 where: short stacking energy: -319.272 Base-Backbone interact. energy: -1.475 local terms energy: -363.361453 where: bonds (distance) C4'-P energy: -71.014 bonds (distance) P-C4' energy: -82.045 flat angles C4'-P-C4' energy: -98.946 flat angles P-C4'-P energy: -43.318 tors. eta vs tors. theta energy: -68.038 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: 6 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -836.006814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.006814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.006814 (E_RNA) where: Base-Base interactions energy: -473.373 where: short stacking energy: -263.163 Base-Backbone interact. energy: 7.621 local terms energy: -370.254766 where: bonds (distance) C4'-P energy: -84.010 bonds (distance) P-C4' energy: -88.053 flat angles C4'-P-C4' energy: -90.834 flat angles P-C4'-P energy: -52.397 tors. eta vs tors. theta energy: -54.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -638.888049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.888049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.888049 (E_RNA) where: Base-Base interactions energy: -332.417 where: short stacking energy: -179.541 Base-Backbone interact. energy: 1.528 local terms energy: -307.999549 where: bonds (distance) C4'-P energy: -94.159 bonds (distance) P-C4' energy: -83.895 flat angles C4'-P-C4' energy: -75.909 flat angles P-C4'-P energy: -33.401 tors. eta vs tors. theta energy: -20.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -589.494125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.494125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.494125 (E_RNA) where: Base-Base interactions energy: -315.801 where: short stacking energy: -157.036 Base-Backbone interact. energy: -3.208 local terms energy: -270.485458 where: bonds (distance) C4'-P energy: -77.055 bonds (distance) P-C4' energy: -56.325 flat angles C4'-P-C4' energy: -83.912 flat angles P-C4'-P energy: -44.007 tors. eta vs tors. theta energy: -9.187 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: 8 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -471.799589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.799589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.799589 (E_RNA) where: Base-Base interactions energy: -203.290 where: short stacking energy: -124.687 Base-Backbone interact. energy: 2.188 local terms energy: -270.696989 where: bonds (distance) C4'-P energy: -86.597 bonds (distance) P-C4' energy: -85.668 flat angles C4'-P-C4' energy: -60.355 flat angles P-C4'-P energy: -41.050 tors. eta vs tors. theta energy: 2.973 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) replica 9 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 90985393 moves confirmed later: 100431262 all moves confirmed: 191416655 percent of confirmed moves: 23.927082 current total energy: -1446.963083 recalc. total energy: -1446.963083 replica 2 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 94451408 moves confirmed later: 104533362 all moves confirmed: 198984770 percent of confirmed moves: 24.873096 current total energy: -1280.425244 recalc. total energy: -1280.425244 replica 10 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 106439420 moves confirmed later: 120181215 all moves confirmed: 226620635 percent of confirmed moves: 28.327579 current total energy: -1187.696403 recalc. total energy: -1187.696403 replica 1 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 152785763 moves confirmed later: 180966191 all moves confirmed: 333751954 percent of confirmed moves: 41.718994 current total energy: -1069.084496 recalc. total energy: -1069.084496 replica 5 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 87226341 moves confirmed later: 95842388 all moves confirmed: 183068729 percent of confirmed moves: 22.883591 current total energy: -1162.980019 recalc. total energy: -1162.980019 replica 7 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 141888389 moves confirmed later: 166593609 all moves confirmed: 308481998 percent of confirmed moves: 38.560250 current total energy: -957.269372 recalc. total energy: -957.269372 replica 6 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 134189342 moves confirmed later: 156782200 all moves confirmed: 290971542 percent of confirmed moves: 36.371443 current total energy: -756.439669 recalc. total energy: -756.439669 replica 4 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 160599915 moves confirmed later: 191025958 all moves confirmed: 351625873 percent of confirmed moves: 43.953234 current total energy: -534.611915 recalc. total energy: -534.611915 replica 3 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 126571409 moves confirmed later: 146904904 all moves confirmed: 273476313 percent of confirmed moves: 34.184539 current total energy: -513.385424 recalc. total energy: -513.385424 replica 8 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 165363974 moves confirmed later: 197466889 all moves confirmed: 362830863 percent of confirmed moves: 45.353858 current total energy: -393.056157 recalc. total energy: -393.056157 out arg RESULTS//1/UTR4_1-abfa5b74_01 Time of doing 8000000 iterations: 25112.051 seconds