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/FENG-eabfb631/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/FENG-eabfb631/inputs/seq.fa: 1 curr_seq: _CACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAA 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/FENG-eabfb631/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/FENG-eabfb631/inputs/seq.fa: 1 curr_seq: _CACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAA 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/FENG-eabfb631/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/FENG-eabfb631/inputs/seq.fa: 1 curr_seq: _CACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAA 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/FENG-eabfb631/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/FENG-eabfb631/inputs/seq.fa: 1 curr_seq: _CACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAA 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/FENG-eabfb631/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/FENG-eabfb631/inputs/seq.fa: 1 curr_seq: _CACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAA 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/FENG-eabfb631/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/FENG-eabfb631/inputs/seq.fa: 1 curr_seq: _CACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAA 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/FENG-eabfb631/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/FENG-eabfb631/inputs/seq.fa: 1 curr_seq: _CACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAA 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/FENG-eabfb631/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/FENG-eabfb631/inputs/seq.fa: 1 curr_seq: _CACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAA 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/FENG-eabfb631/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/FENG-eabfb631/inputs/seq.fa: 1 curr_seq: _CACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAA 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/FENG-eabfb631/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/FENG-eabfb631/inputs/seq.fa: 1 curr_seq: _CACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAA 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: -610.667422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.667422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.667422 (E_RNA) where: Base-Base interactions energy: -11.160 where: short stacking energy: -11.160 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: -610.667422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.667422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.667422 (E_RNA) where: Base-Base interactions energy: -11.160 where: short stacking energy: -11.160 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: -610.667422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.667422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.667422 (E_RNA) where: Base-Base interactions energy: -11.160 where: short stacking energy: -11.160 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: -610.667422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.667422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.667422 (E_RNA) where: Base-Base interactions energy: -11.160 where: short stacking energy: -11.160 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: -610.667422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.667422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.667422 (E_RNA) where: Base-Base interactions energy: -11.160 where: short stacking energy: -11.160 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: -610.667422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.667422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.667422 (E_RNA) where: Base-Base interactions energy: -11.160 where: short stacking energy: -11.160 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: -610.667422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.667422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.667422 (E_RNA) where: Base-Base interactions energy: -11.160 where: short stacking energy: -11.160 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: -610.667422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.667422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.667422 (E_RNA) where: Base-Base interactions energy: -11.160 where: short stacking energy: -11.160 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: -610.667422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.667422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.667422 (E_RNA) where: Base-Base interactions energy: -11.160 where: short stacking energy: -11.160 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: -610.667422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.667422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.667422 (E_RNA) where: Base-Base interactions energy: -11.160 where: short stacking energy: -11.160 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: -753.643752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.643752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.643752 (E_RNA) where: Base-Base interactions energy: -300.177 where: short stacking energy: -299.874 Base-Backbone interact. energy: -0.314 local terms energy: -453.152792 where: bonds (distance) C4'-P energy: -103.689 bonds (distance) P-C4' energy: -86.809 flat angles C4'-P-C4' energy: -113.720 flat angles P-C4'-P energy: -68.921 tors. eta vs tors. theta energy: -80.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -719.337015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.337015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.337015 (E_RNA) where: Base-Base interactions energy: -312.995 where: short stacking energy: -300.357 Base-Backbone interact. energy: 0.113 local terms energy: -406.454957 where: bonds (distance) C4'-P energy: -92.569 bonds (distance) P-C4' energy: -93.798 flat angles C4'-P-C4' energy: -85.425 flat angles P-C4'-P energy: -55.200 tors. eta vs tors. theta energy: -79.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -656.338738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.338738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.338738 (E_RNA) where: Base-Base interactions energy: -245.942 where: short stacking energy: -239.812 Base-Backbone interact. energy: 0.629 local terms energy: -411.025992 where: bonds (distance) C4'-P energy: -88.635 bonds (distance) P-C4' energy: -105.160 flat angles C4'-P-C4' energy: -94.432 flat angles P-C4'-P energy: -66.253 tors. eta vs tors. theta energy: -56.546 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: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -615.687280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.687280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.687280 (E_RNA) where: Base-Base interactions energy: -56.874 where: short stacking energy: -56.874 Base-Backbone interact. energy: -0.000 local terms energy: -558.813500 where: bonds (distance) C4'-P energy: -129.801 bonds (distance) P-C4' energy: -118.198 flat angles C4'-P-C4' energy: -113.324 flat angles P-C4'-P energy: -121.489 tors. eta vs tors. theta energy: -76.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -608.480892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.480892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.480892 (E_RNA) where: Base-Base interactions energy: -12.573 where: short stacking energy: -12.573 Base-Backbone interact. energy: -0.000 local terms energy: -595.908161 where: bonds (distance) C4'-P energy: -148.770 bonds (distance) P-C4' energy: -135.929 flat angles C4'-P-C4' energy: -113.129 flat angles P-C4'-P energy: -129.030 tors. eta vs tors. theta energy: -69.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -609.338003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.338003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.338003 (E_RNA) where: Base-Base interactions energy: -18.914 where: short stacking energy: -18.914 Base-Backbone interact. energy: -0.000 local terms energy: -590.424161 where: bonds (distance) C4'-P energy: -146.377 bonds (distance) P-C4' energy: -133.942 flat angles C4'-P-C4' energy: -111.425 flat angles P-C4'-P energy: -128.251 tors. eta vs tors. theta energy: -70.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -608.283269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.283269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.283269 (E_RNA) where: Base-Base interactions energy: -12.570 where: short stacking energy: -12.570 Base-Backbone interact. energy: -0.000 local terms energy: -595.713167 where: bonds (distance) C4'-P energy: -148.770 bonds (distance) P-C4' energy: -135.929 flat angles C4'-P-C4' energy: -112.934 flat angles P-C4'-P energy: -129.030 tors. eta vs tors. theta energy: -69.051 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: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -611.587743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.587743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.587743 (E_RNA) where: Base-Base interactions energy: -27.439 where: short stacking energy: -27.439 Base-Backbone interact. energy: -0.000 local terms energy: -584.148178 where: bonds (distance) C4'-P energy: -144.150 bonds (distance) P-C4' energy: -129.366 flat angles C4'-P-C4' energy: -113.087 flat angles P-C4'-P energy: -127.263 tors. eta vs tors. theta energy: -70.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -608.136365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.136365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.136365 (E_RNA) where: Base-Base interactions energy: -12.567 where: short stacking energy: -12.567 Base-Backbone interact. energy: -0.000 local terms energy: -595.569040 where: bonds (distance) C4'-P energy: -148.770 bonds (distance) P-C4' energy: -135.929 flat angles C4'-P-C4' energy: -112.934 flat angles P-C4'-P energy: -129.030 tors. eta vs tors. theta energy: -68.907 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: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -607.974397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.974397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.974397 (E_RNA) where: Base-Base interactions energy: -12.566 where: short stacking energy: -12.566 Base-Backbone interact. energy: -0.000 local terms energy: -595.408536 where: bonds (distance) C4'-P energy: -148.770 bonds (distance) P-C4' energy: -135.929 flat angles C4'-P-C4' energy: -112.773 flat angles P-C4'-P energy: -129.030 tors. eta vs tors. theta energy: -68.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -823.874517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.874517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.874517 (E_RNA) where: Base-Base interactions energy: -354.469 where: short stacking energy: -317.949 Base-Backbone interact. energy: -0.891 local terms energy: -468.514414 where: bonds (distance) C4'-P energy: -99.206 bonds (distance) P-C4' energy: -103.422 flat angles C4'-P-C4' energy: -102.588 flat angles P-C4'-P energy: -72.556 tors. eta vs tors. theta energy: -90.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -765.999464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.999464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.999464 (E_RNA) where: Base-Base interactions energy: -330.711 where: short stacking energy: -298.562 Base-Backbone interact. energy: -0.453 local terms energy: -434.836056 where: bonds (distance) C4'-P energy: -102.658 bonds (distance) P-C4' energy: -105.197 flat angles C4'-P-C4' energy: -88.248 flat angles P-C4'-P energy: -57.392 tors. eta vs tors. theta energy: -81.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -680.301056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.301056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.301056 (E_RNA) where: Base-Base interactions energy: -281.060 where: short stacking energy: -249.199 Base-Backbone interact. energy: -0.645 local terms energy: -398.595532 where: bonds (distance) C4'-P energy: -99.980 bonds (distance) P-C4' energy: -93.518 flat angles C4'-P-C4' energy: -88.101 flat angles P-C4'-P energy: -55.161 tors. eta vs tors. theta energy: -61.835 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: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -649.078003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.078003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.078003 (E_RNA) where: Base-Base interactions energy: -281.301 where: short stacking energy: -246.146 Base-Backbone interact. energy: -0.345 local terms energy: -367.432099 where: bonds (distance) C4'-P energy: -85.765 bonds (distance) P-C4' energy: -90.560 flat angles C4'-P-C4' energy: -87.575 flat angles P-C4'-P energy: -59.575 tors. eta vs tors. theta energy: -43.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -592.297053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.297053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.297053 (E_RNA) where: Base-Base interactions energy: -251.131 where: short stacking energy: -186.534 Base-Backbone interact. energy: -1.763 local terms energy: -339.403839 where: bonds (distance) C4'-P energy: -95.575 bonds (distance) P-C4' energy: -92.926 flat angles C4'-P-C4' energy: -87.276 flat angles P-C4'-P energy: -40.839 tors. eta vs tors. theta energy: -22.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -520.306880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.306880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.306880 (E_RNA) where: Base-Base interactions energy: -195.339 where: short stacking energy: -170.246 Base-Backbone interact. energy: -1.241 local terms energy: -323.727290 where: bonds (distance) C4'-P energy: -73.213 bonds (distance) P-C4' energy: -87.834 flat angles C4'-P-C4' energy: -88.811 flat angles P-C4'-P energy: -46.260 tors. eta vs tors. theta energy: -27.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -504.077099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.077099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.077099 (E_RNA) where: Base-Base interactions energy: -212.643 where: short stacking energy: -184.499 Base-Backbone interact. energy: -1.210 local terms energy: -290.223618 where: bonds (distance) C4'-P energy: -75.194 bonds (distance) P-C4' energy: -81.429 flat angles C4'-P-C4' energy: -81.703 flat angles P-C4'-P energy: -37.807 tors. eta vs tors. theta energy: -14.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -432.870920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.870920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.870920 (E_RNA) where: Base-Base interactions energy: -135.914 where: short stacking energy: -124.789 Base-Backbone interact. energy: 0.002 local terms energy: -296.958463 where: bonds (distance) C4'-P energy: -93.211 bonds (distance) P-C4' energy: -97.158 flat angles C4'-P-C4' energy: -56.174 flat angles P-C4'-P energy: -36.205 tors. eta vs tors. theta energy: -14.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -399.872175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.872175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.872175 (E_RNA) where: Base-Base interactions energy: -120.420 where: short stacking energy: -100.095 Base-Backbone interact. energy: 1.139 local terms energy: -280.590728 where: bonds (distance) C4'-P energy: -72.826 bonds (distance) P-C4' energy: -88.920 flat angles C4'-P-C4' energy: -68.637 flat angles P-C4'-P energy: -48.532 tors. eta vs tors. theta energy: -1.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -379.426617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.426617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.426617 (E_RNA) where: Base-Base interactions energy: -139.297 where: short stacking energy: -119.594 Base-Backbone interact. energy: -1.794 local terms energy: -238.335820 where: bonds (distance) C4'-P energy: -80.340 bonds (distance) P-C4' energy: -74.912 flat angles C4'-P-C4' energy: -74.888 flat angles P-C4'-P energy: -23.668 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: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -848.106850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.106850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.106850 (E_RNA) where: Base-Base interactions energy: -393.007 where: short stacking energy: -316.659 Base-Backbone interact. energy: -0.342 local terms energy: -454.757934 where: bonds (distance) C4'-P energy: -104.777 bonds (distance) P-C4' energy: -96.028 flat angles C4'-P-C4' energy: -106.778 flat angles P-C4'-P energy: -74.295 tors. eta vs tors. theta energy: -72.880 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: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -787.597046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.597046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.597046 (E_RNA) where: Base-Base interactions energy: -359.258 where: short stacking energy: -331.938 Base-Backbone interact. energy: -0.021 local terms energy: -428.317748 where: bonds (distance) C4'-P energy: -89.943 bonds (distance) P-C4' energy: -93.343 flat angles C4'-P-C4' energy: -94.134 flat angles P-C4'-P energy: -64.316 tors. eta vs tors. theta energy: -86.582 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: 3, replica: 4 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -789.925472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.925472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.925472 (E_RNA) where: Base-Base interactions energy: -416.537 where: short stacking energy: -293.323 Base-Backbone interact. energy: 1.705 local terms energy: -375.093710 where: bonds (distance) C4'-P energy: -78.597 bonds (distance) P-C4' energy: -92.761 flat angles C4'-P-C4' energy: -76.668 flat angles P-C4'-P energy: -58.212 tors. eta vs tors. theta energy: -68.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -648.935425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.935425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.935425 (E_RNA) where: Base-Base interactions energy: -280.586 where: short stacking energy: -184.920 Base-Backbone interact. energy: 0.577 local terms energy: -368.926751 where: bonds (distance) C4'-P energy: -94.518 bonds (distance) P-C4' energy: -101.528 flat angles C4'-P-C4' energy: -91.349 flat angles P-C4'-P energy: -54.959 tors. eta vs tors. theta energy: -26.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -744.751642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.751642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.751642 (E_RNA) where: Base-Base interactions energy: -408.356 where: short stacking energy: -205.424 Base-Backbone interact. energy: -2.483 local terms energy: -333.912795 where: bonds (distance) C4'-P energy: -94.415 bonds (distance) P-C4' energy: -94.251 flat angles C4'-P-C4' energy: -67.941 flat angles P-C4'-P energy: -46.616 tors. eta vs tors. theta energy: -30.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -569.575250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.575250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.575250 (E_RNA) where: Base-Base interactions energy: -250.496 where: short stacking energy: -168.567 Base-Backbone interact. energy: -0.534 local terms energy: -318.545882 where: bonds (distance) C4'-P energy: -73.793 bonds (distance) P-C4' energy: -86.320 flat angles C4'-P-C4' energy: -93.605 flat angles P-C4'-P energy: -55.825 tors. eta vs tors. theta energy: -9.002 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: 4 Temperature: 1.200000 Total energy: -568.703956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.703956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.703956 (E_RNA) where: Base-Base interactions energy: -283.960 where: short stacking energy: -160.255 Base-Backbone interact. energy: 0.644 local terms energy: -285.388126 where: bonds (distance) C4'-P energy: -85.000 bonds (distance) P-C4' energy: -83.046 flat angles C4'-P-C4' energy: -61.275 flat angles P-C4'-P energy: -47.222 tors. eta vs tors. theta energy: -8.845 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: 9 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -443.080817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.080817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.080817 (E_RNA) where: Base-Base interactions energy: -157.017 where: short stacking energy: -122.295 Base-Backbone interact. energy: -0.475 local terms energy: -285.589241 where: bonds (distance) C4'-P energy: -92.060 bonds (distance) P-C4' energy: -92.986 flat angles C4'-P-C4' energy: -82.157 flat angles P-C4'-P energy: -37.957 tors. eta vs tors. theta energy: 19.572 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: 9, replica: 8 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -413.460351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.460351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.460351 (E_RNA) where: Base-Base interactions energy: -157.138 where: short stacking energy: -106.225 Base-Backbone interact. energy: 0.703 local terms energy: -257.025457 where: bonds (distance) C4'-P energy: -79.774 bonds (distance) P-C4' energy: -77.157 flat angles C4'-P-C4' energy: -66.717 flat angles P-C4'-P energy: -51.660 tors. eta vs tors. theta energy: 18.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -370.929042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.929042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.929042 (E_RNA) where: Base-Base interactions energy: -129.747 where: short stacking energy: -105.810 Base-Backbone interact. energy: -0.834 local terms energy: -240.348191 where: bonds (distance) C4'-P energy: -72.483 bonds (distance) P-C4' energy: -69.662 flat angles C4'-P-C4' energy: -69.968 flat angles P-C4'-P energy: -46.134 tors. eta vs tors. theta energy: 17.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -848.507954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.507954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.507954 (E_RNA) where: Base-Base interactions energy: -398.779 where: short stacking energy: -324.021 Base-Backbone interact. energy: 0.779 local terms energy: -450.508428 where: bonds (distance) C4'-P energy: -98.963 bonds (distance) P-C4' energy: -103.850 flat angles C4'-P-C4' energy: -103.438 flat angles P-C4'-P energy: -70.214 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: 2, replica: 4 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -898.103580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.103580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.103580 (E_RNA) where: Base-Base interactions energy: -462.301 where: short stacking energy: -329.521 Base-Backbone interact. energy: -1.154 local terms energy: -434.648278 where: bonds (distance) C4'-P energy: -85.515 bonds (distance) P-C4' energy: -85.784 flat angles C4'-P-C4' energy: -108.609 flat angles P-C4'-P energy: -60.462 tors. eta vs tors. theta energy: -94.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -734.800005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.800005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.800005 (E_RNA) where: Base-Base interactions energy: -323.762 where: short stacking energy: -277.110 Base-Backbone interact. energy: -0.605 local terms energy: -410.433595 where: bonds (distance) C4'-P energy: -92.072 bonds (distance) P-C4' energy: -83.274 flat angles C4'-P-C4' energy: -95.336 flat angles P-C4'-P energy: -76.564 tors. eta vs tors. theta energy: -63.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -855.899472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.899472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.899472 (E_RNA) where: Base-Base interactions energy: -494.662 where: short stacking energy: -244.376 Base-Backbone interact. energy: -4.056 local terms energy: -357.181143 where: bonds (distance) C4'-P energy: -92.445 bonds (distance) P-C4' energy: -81.729 flat angles C4'-P-C4' energy: -89.090 flat angles P-C4'-P energy: -56.862 tors. eta vs tors. theta energy: -37.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -651.913574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.913574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.913574 (E_RNA) where: Base-Base interactions energy: -320.948 where: short stacking energy: -206.093 Base-Backbone interact. energy: -3.454 local terms energy: -327.511958 where: bonds (distance) C4'-P energy: -93.530 bonds (distance) P-C4' energy: -88.901 flat angles C4'-P-C4' energy: -79.282 flat angles P-C4'-P energy: -38.343 tors. eta vs tors. theta energy: -27.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -661.320375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.320375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.320375 (E_RNA) where: Base-Base interactions energy: -336.717 where: short stacking energy: -188.138 Base-Backbone interact. energy: -1.689 local terms energy: -322.914083 where: bonds (distance) C4'-P energy: -77.664 bonds (distance) P-C4' energy: -91.847 flat angles C4'-P-C4' energy: -83.652 flat angles P-C4'-P energy: -54.266 tors. eta vs tors. theta energy: -15.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -682.122489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.122489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.122489 (E_RNA) where: Base-Base interactions energy: -352.652 where: short stacking energy: -184.160 Base-Backbone interact. energy: -0.363 local terms energy: -329.107254 where: bonds (distance) C4'-P energy: -87.563 bonds (distance) P-C4' energy: -75.014 flat angles C4'-P-C4' energy: -80.512 flat angles P-C4'-P energy: -55.047 tors. eta vs tors. theta energy: -30.971 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: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -469.393094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.393094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.393094 (E_RNA) where: Base-Base interactions energy: -204.014 where: short stacking energy: -143.246 Base-Backbone interact. energy: 1.283 local terms energy: -266.662306 where: bonds (distance) C4'-P energy: -72.572 bonds (distance) P-C4' energy: -87.186 flat angles C4'-P-C4' energy: -63.995 flat angles P-C4'-P energy: -36.065 tors. eta vs tors. theta energy: -6.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -404.426510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.426510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.426510 (E_RNA) where: Base-Base interactions energy: -150.919 where: short stacking energy: -114.674 Base-Backbone interact. energy: -0.089 local terms energy: -253.418525 where: bonds (distance) C4'-P energy: -67.773 bonds (distance) P-C4' energy: -89.902 flat angles C4'-P-C4' energy: -60.230 flat angles P-C4'-P energy: -41.019 tors. eta vs tors. theta energy: 5.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -401.360979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.360979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.360979 (E_RNA) where: Base-Base interactions energy: -172.076 where: short stacking energy: -118.875 Base-Backbone interact. energy: -0.931 local terms energy: -228.354430 where: bonds (distance) C4'-P energy: -76.503 bonds (distance) P-C4' energy: -76.627 flat angles C4'-P-C4' energy: -56.679 flat angles P-C4'-P energy: -39.497 tors. eta vs tors. theta energy: 20.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1021.907300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.907300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.907300 (E_RNA) where: Base-Base interactions energy: -561.193 where: short stacking energy: -361.294 Base-Backbone interact. energy: -0.097 local terms energy: -460.617731 where: bonds (distance) C4'-P energy: -91.186 bonds (distance) P-C4' energy: -96.196 flat angles C4'-P-C4' energy: -101.484 flat angles P-C4'-P energy: -78.672 tors. eta vs tors. theta energy: -93.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -837.030309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.030309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.030309 (E_RNA) where: Base-Base interactions energy: -386.915 where: short stacking energy: -290.344 Base-Backbone interact. energy: -1.270 local terms energy: -448.845545 where: bonds (distance) C4'-P energy: -98.191 bonds (distance) P-C4' energy: -105.512 flat angles C4'-P-C4' energy: -102.632 flat angles P-C4'-P energy: -62.649 tors. eta vs tors. theta energy: -79.861 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: 5 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -947.046581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.046581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.046581 (E_RNA) where: Base-Base interactions energy: -581.993 where: short stacking energy: -276.306 Base-Backbone interact. energy: -1.672 local terms energy: -363.381875 where: bonds (distance) C4'-P energy: -81.317 bonds (distance) P-C4' energy: -87.310 flat angles C4'-P-C4' energy: -94.580 flat angles P-C4'-P energy: -58.581 tors. eta vs tors. theta energy: -41.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -649.028235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.028235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.028235 (E_RNA) where: Base-Base interactions energy: -284.631 where: short stacking energy: -215.446 Base-Backbone interact. energy: -1.041 local terms energy: -363.356174 where: bonds (distance) C4'-P energy: -92.585 bonds (distance) P-C4' energy: -95.454 flat angles C4'-P-C4' energy: -80.888 flat angles P-C4'-P energy: -54.856 tors. eta vs tors. theta energy: -39.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -908.892933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.892933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.892933 (E_RNA) where: Base-Base interactions energy: -541.395 where: short stacking energy: -246.504 Base-Backbone interact. energy: -0.675 local terms energy: -366.822394 where: bonds (distance) C4'-P energy: -86.290 bonds (distance) P-C4' energy: -90.462 flat angles C4'-P-C4' energy: -82.927 flat angles P-C4'-P energy: -60.234 tors. eta vs tors. theta energy: -46.910 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: 6 Temperature: 1.150000 Total energy: -652.465155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.465155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.465155 (E_RNA) where: Base-Base interactions energy: -331.878 where: short stacking energy: -191.553 Base-Backbone interact. energy: 0.619 local terms energy: -321.206408 where: bonds (distance) C4'-P energy: -78.039 bonds (distance) P-C4' energy: -81.690 flat angles C4'-P-C4' energy: -84.556 flat angles P-C4'-P energy: -56.111 tors. eta vs tors. theta energy: -20.810 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: 7 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -686.434319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.434319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.434319 (E_RNA) where: Base-Base interactions energy: -365.059 where: short stacking energy: -196.672 Base-Backbone interact. energy: -2.134 local terms energy: -319.241390 where: bonds (distance) C4'-P energy: -78.671 bonds (distance) P-C4' energy: -86.816 flat angles C4'-P-C4' energy: -86.064 flat angles P-C4'-P energy: -45.568 tors. eta vs tors. theta energy: -22.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -481.507759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.507759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.507759 (E_RNA) where: Base-Base interactions energy: -230.804 where: short stacking energy: -121.732 Base-Backbone interact. energy: 2.923 local terms energy: -253.626143 where: bonds (distance) C4'-P energy: -78.964 bonds (distance) P-C4' energy: -75.788 flat angles C4'-P-C4' energy: -67.181 flat angles P-C4'-P energy: -47.286 tors. eta vs tors. theta energy: 15.593 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: 10 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -409.233755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.233755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.233755 (E_RNA) where: Base-Base interactions energy: -154.018 where: short stacking energy: -108.356 Base-Backbone interact. energy: 0.819 local terms energy: -256.034629 where: bonds (distance) C4'-P energy: -76.539 bonds (distance) P-C4' energy: -87.210 flat angles C4'-P-C4' energy: -65.550 flat angles P-C4'-P energy: -44.774 tors. eta vs tors. theta energy: 18.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -386.398399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.398399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.398399 (E_RNA) where: Base-Base interactions energy: -132.542 where: short stacking energy: -109.695 Base-Backbone interact. energy: -1.905 local terms energy: -251.952127 where: bonds (distance) C4'-P energy: -62.613 bonds (distance) P-C4' energy: -84.649 flat angles C4'-P-C4' energy: -71.323 flat angles P-C4'-P energy: -34.437 tors. eta vs tors. theta energy: 1.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1039.048624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.048624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.048624 (E_RNA) where: Base-Base interactions energy: -600.893 where: short stacking energy: -349.269 Base-Backbone interact. energy: 1.986 local terms energy: -440.141505 where: bonds (distance) C4'-P energy: -96.421 bonds (distance) P-C4' energy: -91.553 flat angles C4'-P-C4' energy: -97.230 flat angles P-C4'-P energy: -69.195 tors. eta vs tors. theta energy: -85.743 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: 5 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1084.758783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.758783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.758783 (E_RNA) where: Base-Base interactions energy: -662.061 where: short stacking energy: -324.817 Base-Backbone interact. energy: -1.073 local terms energy: -421.625336 where: bonds (distance) C4'-P energy: -89.683 bonds (distance) P-C4' energy: -94.143 flat angles C4'-P-C4' energy: -92.473 flat angles P-C4'-P energy: -70.871 tors. eta vs tors. theta energy: -74.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -830.105205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.105205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.105205 (E_RNA) where: Base-Base interactions energy: -412.645 where: short stacking energy: -280.583 Base-Backbone interact. energy: 1.617 local terms energy: -419.076808 where: bonds (distance) C4'-P energy: -80.198 bonds (distance) P-C4' energy: -96.842 flat angles C4'-P-C4' energy: -103.230 flat angles P-C4'-P energy: -62.022 tors. eta vs tors. theta energy: -76.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -1012.565633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.565633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.565633 (E_RNA) where: Base-Base interactions energy: -637.674 where: short stacking energy: -307.998 Base-Backbone interact. energy: 1.103 local terms energy: -375.995102 where: bonds (distance) C4'-P energy: -85.914 bonds (distance) P-C4' energy: -86.450 flat angles C4'-P-C4' energy: -83.305 flat angles P-C4'-P energy: -54.318 tors. eta vs tors. theta energy: -66.008 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: 2 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -619.743230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.743230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.743230 (E_RNA) where: Base-Base interactions energy: -272.882 where: short stacking energy: -202.086 Base-Backbone interact. energy: -1.336 local terms energy: -345.525072 where: bonds (distance) C4'-P energy: -94.527 bonds (distance) P-C4' energy: -81.833 flat angles C4'-P-C4' energy: -87.271 flat angles P-C4'-P energy: -61.759 tors. eta vs tors. theta energy: -20.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -873.659209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.659209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.659209 (E_RNA) where: Base-Base interactions energy: -524.014 where: short stacking energy: -248.778 Base-Backbone interact. energy: -0.787 local terms energy: -348.858158 where: bonds (distance) C4'-P energy: -83.594 bonds (distance) P-C4' energy: -97.261 flat angles C4'-P-C4' energy: -68.909 flat angles P-C4'-P energy: -41.794 tors. eta vs tors. theta energy: -57.300 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: 7, replica: 6 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -678.122528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.122528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.122528 (E_RNA) where: Base-Base interactions energy: -349.698 where: short stacking energy: -184.162 Base-Backbone interact. energy: -2.066 local terms energy: -326.358651 where: bonds (distance) C4'-P energy: -90.506 bonds (distance) P-C4' energy: -93.955 flat angles C4'-P-C4' energy: -74.179 flat angles P-C4'-P energy: -39.510 tors. eta vs tors. theta energy: -28.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -552.765264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.765264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.765264 (E_RNA) where: Base-Base interactions energy: -284.174 where: short stacking energy: -149.151 Base-Backbone interact. energy: 4.994 local terms energy: -273.585052 where: bonds (distance) C4'-P energy: -69.468 bonds (distance) P-C4' energy: -86.946 flat angles C4'-P-C4' energy: -88.482 flat angles P-C4'-P energy: -32.573 tors. eta vs tors. theta energy: 3.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -445.524064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.524064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.524064 (E_RNA) where: Base-Base interactions energy: -166.713 where: short stacking energy: -135.194 Base-Backbone interact. energy: -2.547 local terms energy: -276.264280 where: bonds (distance) C4'-P energy: -69.892 bonds (distance) P-C4' energy: -82.807 flat angles C4'-P-C4' energy: -78.219 flat angles P-C4'-P energy: -49.365 tors. eta vs tors. theta energy: 4.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -367.397431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.397431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.397431 (E_RNA) where: Base-Base interactions energy: -135.190 where: short stacking energy: -80.084 Base-Backbone interact. energy: 3.207 local terms energy: -235.414326 where: bonds (distance) C4'-P energy: -78.191 bonds (distance) P-C4' energy: -85.642 flat angles C4'-P-C4' energy: -57.912 flat angles P-C4'-P energy: -29.601 tors. eta vs tors. theta energy: 15.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1061.459182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.459182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.459182 (E_RNA) where: Base-Base interactions energy: -604.625 where: short stacking energy: -336.375 Base-Backbone interact. energy: -0.988 local terms energy: -455.846170 where: bonds (distance) C4'-P energy: -94.856 bonds (distance) P-C4' energy: -102.798 flat angles C4'-P-C4' energy: -101.027 flat angles P-C4'-P energy: -70.299 tors. eta vs tors. theta energy: -86.867 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: 8 Temperature: 0.950000 Total energy: -1079.783205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.783205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.783205 (E_RNA) where: Base-Base interactions energy: -662.007 where: short stacking energy: -311.021 Base-Backbone interact. energy: -0.496 local terms energy: -417.280542 where: bonds (distance) C4'-P energy: -93.320 bonds (distance) P-C4' energy: -96.035 flat angles C4'-P-C4' energy: -92.248 flat angles P-C4'-P energy: -65.237 tors. eta vs tors. theta energy: -70.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1063.764225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.764225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.764225 (E_RNA) where: Base-Base interactions energy: -639.804 where: short stacking energy: -290.639 Base-Backbone interact. energy: -0.896 local terms energy: -423.064796 where: bonds (distance) C4'-P energy: -101.205 bonds (distance) P-C4' energy: -98.018 flat angles C4'-P-C4' energy: -93.421 flat angles P-C4'-P energy: -65.749 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: 4, replica: 1 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -860.224209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.224209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.224209 (E_RNA) where: Base-Base interactions energy: -470.025 where: short stacking energy: -276.769 Base-Backbone interact. energy: -3.063 local terms energy: -387.135767 where: bonds (distance) C4'-P energy: -83.516 bonds (distance) P-C4' energy: -87.055 flat angles C4'-P-C4' energy: -86.930 flat angles P-C4'-P energy: -55.454 tors. eta vs tors. theta energy: -74.181 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: 7 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -949.106581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.106581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.106581 (E_RNA) where: Base-Base interactions energy: -564.189 where: short stacking energy: -261.011 Base-Backbone interact. energy: -2.398 local terms energy: -382.519879 where: bonds (distance) C4'-P energy: -104.190 bonds (distance) P-C4' energy: -87.135 flat angles C4'-P-C4' energy: -82.412 flat angles P-C4'-P energy: -63.665 tors. eta vs tors. theta energy: -45.117 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: 2 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -622.241170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.241170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.241170 (E_RNA) where: Base-Base interactions energy: -308.818 where: short stacking energy: -198.371 Base-Backbone interact. energy: -0.536 local terms energy: -312.887159 where: bonds (distance) C4'-P energy: -80.326 bonds (distance) P-C4' energy: -79.220 flat angles C4'-P-C4' energy: -80.307 flat angles P-C4'-P energy: -50.821 tors. eta vs tors. theta energy: -22.213 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: 6 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -590.725975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.725975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.725975 (E_RNA) where: Base-Base interactions energy: -278.985 where: short stacking energy: -165.768 Base-Backbone interact. energy: 0.395 local terms energy: -312.136156 where: bonds (distance) C4'-P energy: -79.935 bonds (distance) P-C4' energy: -86.473 flat angles C4'-P-C4' energy: -75.647 flat angles P-C4'-P energy: -48.656 tors. eta vs tors. theta energy: -21.425 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: 8 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -574.305964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.305964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.305964 (E_RNA) where: Base-Base interactions energy: -281.289 where: short stacking energy: -182.836 Base-Backbone interact. energy: -0.182 local terms energy: -292.835142 where: bonds (distance) C4'-P energy: -83.174 bonds (distance) P-C4' energy: -73.886 flat angles C4'-P-C4' energy: -73.067 flat angles P-C4'-P energy: -36.236 tors. eta vs tors. theta energy: -26.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -428.521245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.521245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.521245 (E_RNA) where: Base-Base interactions energy: -162.405 where: short stacking energy: -129.299 Base-Backbone interact. energy: -0.407 local terms energy: -265.708941 where: bonds (distance) C4'-P energy: -70.054 bonds (distance) P-C4' energy: -81.452 flat angles C4'-P-C4' energy: -70.168 flat angles P-C4'-P energy: -41.045 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: 9 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -386.615055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.615055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.615055 (E_RNA) where: Base-Base interactions energy: -173.104 where: short stacking energy: -101.202 Base-Backbone interact. energy: -1.869 local terms energy: -211.641799 where: bonds (distance) C4'-P energy: -63.408 bonds (distance) P-C4' energy: -64.875 flat angles C4'-P-C4' energy: -64.135 flat angles P-C4'-P energy: -32.062 tors. eta vs tors. theta energy: 12.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1082.536626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.536626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.536626 (E_RNA) where: Base-Base interactions energy: -638.393 where: short stacking energy: -334.418 Base-Backbone interact. energy: 1.058 local terms energy: -445.201582 where: bonds (distance) C4'-P energy: -103.212 bonds (distance) P-C4' energy: -92.046 flat angles C4'-P-C4' energy: -102.294 flat angles P-C4'-P energy: -73.515 tors. eta vs tors. theta energy: -74.135 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: 3 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1159.875876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.875876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.875876 (E_RNA) where: Base-Base interactions energy: -730.048 where: short stacking energy: -333.504 Base-Backbone interact. energy: -1.916 local terms energy: -427.912069 where: bonds (distance) C4'-P energy: -89.526 bonds (distance) P-C4' energy: -95.583 flat angles C4'-P-C4' energy: -96.693 flat angles P-C4'-P energy: -69.774 tors. eta vs tors. theta energy: -76.336 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: 5 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1008.164775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.164775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.164775 (E_RNA) where: Base-Base interactions energy: -614.584 where: short stacking energy: -284.276 Base-Backbone interact. energy: -4.797 local terms energy: -388.783660 where: bonds (distance) C4'-P energy: -76.334 bonds (distance) P-C4' energy: -99.839 flat angles C4'-P-C4' energy: -83.564 flat angles P-C4'-P energy: -61.485 tors. eta vs tors. theta energy: -67.562 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: 9 Temperature: 1.050000 Total energy: -1146.778557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.778557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.778557 (E_RNA) where: Base-Base interactions energy: -766.441 where: short stacking energy: -338.327 Base-Backbone interact. energy: -1.351 local terms energy: -378.986664 where: bonds (distance) C4'-P energy: -73.641 bonds (distance) P-C4' energy: -85.514 flat angles C4'-P-C4' energy: -76.128 flat angles P-C4'-P energy: -58.295 tors. eta vs tors. theta energy: -85.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -796.471111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.471111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.471111 (E_RNA) where: Base-Base interactions energy: -420.053 where: short stacking energy: -239.105 Base-Backbone interact. energy: 2.107 local terms energy: -378.525093 where: bonds (distance) C4'-P energy: -80.159 bonds (distance) P-C4' energy: -89.988 flat angles C4'-P-C4' energy: -95.298 flat angles P-C4'-P energy: -53.968 tors. eta vs tors. theta energy: -59.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -636.636024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.636024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.636024 (E_RNA) where: Base-Base interactions energy: -312.790 where: short stacking energy: -194.417 Base-Backbone interact. energy: -1.572 local terms energy: -322.274327 where: bonds (distance) C4'-P energy: -69.314 bonds (distance) P-C4' energy: -87.900 flat angles C4'-P-C4' energy: -82.462 flat angles P-C4'-P energy: -63.530 tors. eta vs tors. theta energy: -19.068 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: 7, replica: 6 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -573.187059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.187059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.187059 (E_RNA) where: Base-Base interactions energy: -282.992 where: short stacking energy: -190.831 Base-Backbone interact. energy: -2.280 local terms energy: -287.914428 where: bonds (distance) C4'-P energy: -65.872 bonds (distance) P-C4' energy: -84.331 flat angles C4'-P-C4' energy: -74.297 flat angles P-C4'-P energy: -40.925 tors. eta vs tors. theta energy: -22.490 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: 8, replica: 8 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -548.153842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.153842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.153842 (E_RNA) where: Base-Base interactions energy: -283.232 where: short stacking energy: -181.143 Base-Backbone interact. energy: -2.405 local terms energy: -262.516544 where: bonds (distance) C4'-P energy: -54.957 bonds (distance) P-C4' energy: -94.397 flat angles C4'-P-C4' energy: -73.927 flat angles P-C4'-P energy: -31.820 tors. eta vs tors. theta energy: -7.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -408.538732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.538732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.538732 (E_RNA) where: Base-Base interactions energy: -159.302 where: short stacking energy: -124.250 Base-Backbone interact. energy: -1.476 local terms energy: -247.761277 where: bonds (distance) C4'-P energy: -86.209 bonds (distance) P-C4' energy: -81.518 flat angles C4'-P-C4' energy: -63.393 flat angles P-C4'-P energy: -33.135 tors. eta vs tors. theta energy: 16.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -408.940338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.940338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.940338 (E_RNA) where: Base-Base interactions energy: -164.320 where: short stacking energy: -100.141 Base-Backbone interact. energy: -0.955 local terms energy: -243.664769 where: bonds (distance) C4'-P energy: -77.108 bonds (distance) P-C4' energy: -79.905 flat angles C4'-P-C4' energy: -73.679 flat angles P-C4'-P energy: -35.956 tors. eta vs tors. theta energy: 22.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1200.675755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.675755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.675755 (E_RNA) where: Base-Base interactions energy: -755.216 where: short stacking energy: -347.330 Base-Backbone interact. energy: 2.463 local terms energy: -447.922943 where: bonds (distance) C4'-P energy: -103.216 bonds (distance) P-C4' energy: -86.960 flat angles C4'-P-C4' energy: -98.490 flat angles P-C4'-P energy: -77.656 tors. eta vs tors. theta energy: -81.601 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: 4 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1094.753256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.753256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.753256 (E_RNA) where: Base-Base interactions energy: -689.839 where: short stacking energy: -338.713 Base-Backbone interact. energy: -1.557 local terms energy: -403.357528 where: bonds (distance) C4'-P energy: -94.214 bonds (distance) P-C4' energy: -85.896 flat angles C4'-P-C4' energy: -97.338 flat angles P-C4'-P energy: -52.989 tors. eta vs tors. theta energy: -72.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1313.291175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.291175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.291175 (E_RNA) where: Base-Base interactions energy: -848.186 where: short stacking energy: -390.502 Base-Backbone interact. energy: -3.399 local terms energy: -461.706429 where: bonds (distance) C4'-P energy: -80.921 bonds (distance) P-C4' energy: -100.538 flat angles C4'-P-C4' energy: -103.391 flat angles P-C4'-P energy: -65.460 tors. eta vs tors. theta energy: -111.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -992.893582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.893582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.893582 (E_RNA) where: Base-Base interactions energy: -594.311 where: short stacking energy: -305.429 Base-Backbone interact. energy: -1.937 local terms energy: -396.645750 where: bonds (distance) C4'-P energy: -83.644 bonds (distance) P-C4' energy: -100.405 flat angles C4'-P-C4' energy: -83.988 flat angles P-C4'-P energy: -61.641 tors. eta vs tors. theta energy: -66.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -850.084379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.084379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.084379 (E_RNA) where: Base-Base interactions energy: -480.324 where: short stacking energy: -246.912 Base-Backbone interact. energy: -3.509 local terms energy: -366.251377 where: bonds (distance) C4'-P energy: -76.358 bonds (distance) P-C4' energy: -88.583 flat angles C4'-P-C4' energy: -97.569 flat angles P-C4'-P energy: -55.346 tors. eta vs tors. theta energy: -48.396 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: 6, replica: 2 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -644.743872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.743872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.743872 (E_RNA) where: Base-Base interactions energy: -315.604 where: short stacking energy: -189.962 Base-Backbone interact. energy: -0.196 local terms energy: -328.943940 where: bonds (distance) C4'-P energy: -104.928 bonds (distance) P-C4' energy: -91.561 flat angles C4'-P-C4' energy: -69.964 flat angles P-C4'-P energy: -38.961 tors. eta vs tors. theta energy: -23.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -650.456756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.456756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.456756 (E_RNA) where: Base-Base interactions energy: -342.013 where: short stacking energy: -196.218 Base-Backbone interact. energy: 1.141 local terms energy: -309.584325 where: bonds (distance) C4'-P energy: -69.388 bonds (distance) P-C4' energy: -95.796 flat angles C4'-P-C4' energy: -77.515 flat angles P-C4'-P energy: -45.759 tors. eta vs tors. theta energy: -21.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -526.446250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.446250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.446250 (E_RNA) where: Base-Base interactions energy: -237.782 where: short stacking energy: -146.083 Base-Backbone interact. energy: -2.419 local terms energy: -286.245036 where: bonds (distance) C4'-P energy: -72.172 bonds (distance) P-C4' energy: -93.161 flat angles C4'-P-C4' energy: -77.350 flat angles P-C4'-P energy: -40.926 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: 9, replica: 10 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -391.334022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.334022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.334022 (E_RNA) where: Base-Base interactions energy: -146.792 where: short stacking energy: -115.191 Base-Backbone interact. energy: -0.235 local terms energy: -244.307145 where: bonds (distance) C4'-P energy: -82.712 bonds (distance) P-C4' energy: -82.062 flat angles C4'-P-C4' energy: -54.718 flat angles P-C4'-P energy: -38.303 tors. eta vs tors. theta energy: 13.488 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: 10, replica: 9 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -354.329293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.329293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.329293 (E_RNA) where: Base-Base interactions energy: -121.639 where: short stacking energy: -104.006 Base-Backbone interact. energy: 1.541 local terms energy: -234.232180 where: bonds (distance) C4'-P energy: -70.329 bonds (distance) P-C4' energy: -83.899 flat angles C4'-P-C4' energy: -64.246 flat angles P-C4'-P energy: -40.200 tors. eta vs tors. theta energy: 24.442 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: 3 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1224.684428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.684428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.684428 (E_RNA) where: Base-Base interactions energy: -762.025 where: short stacking energy: -357.340 Base-Backbone interact. energy: 1.366 local terms energy: -464.025675 where: bonds (distance) C4'-P energy: -110.336 bonds (distance) P-C4' energy: -99.454 flat angles C4'-P-C4' energy: -106.425 flat angles P-C4'-P energy: -62.456 tors. eta vs tors. theta energy: -85.355 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: 2, replica: 7 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1323.767710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.767710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.767710 (E_RNA) where: Base-Base interactions energy: -866.667 where: short stacking energy: -368.670 Base-Backbone interact. energy: -2.373 local terms energy: -454.727862 where: bonds (distance) C4'-P energy: -87.711 bonds (distance) P-C4' energy: -87.999 flat angles C4'-P-C4' energy: -105.632 flat angles P-C4'-P energy: -66.972 tors. eta vs tors. theta energy: -106.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1078.029083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.029083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.029083 (E_RNA) where: Base-Base interactions energy: -622.105 where: short stacking energy: -318.445 Base-Backbone interact. energy: -2.283 local terms energy: -453.640864 where: bonds (distance) C4'-P energy: -108.151 bonds (distance) P-C4' energy: -95.251 flat angles C4'-P-C4' energy: -104.681 flat angles P-C4'-P energy: -64.818 tors. eta vs tors. theta energy: -80.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1075.750696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.750696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.750696 (E_RNA) where: Base-Base interactions energy: -659.321 where: short stacking energy: -331.762 Base-Backbone interact. energy: 1.196 local terms energy: -417.625863 where: bonds (distance) C4'-P energy: -81.252 bonds (distance) P-C4' energy: -92.671 flat angles C4'-P-C4' energy: -97.244 flat angles P-C4'-P energy: -62.393 tors. eta vs tors. theta energy: -84.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -813.528862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.528862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.528862 (E_RNA) where: Base-Base interactions energy: -431.992 where: short stacking energy: -247.171 Base-Backbone interact. energy: -0.706 local terms energy: -380.831432 where: bonds (distance) C4'-P energy: -79.344 bonds (distance) P-C4' energy: -96.546 flat angles C4'-P-C4' energy: -90.528 flat angles P-C4'-P energy: -58.446 tors. eta vs tors. theta energy: -55.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -784.348122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.348122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.348122 (E_RNA) where: Base-Base interactions energy: -435.902 where: short stacking energy: -229.318 Base-Backbone interact. energy: -2.934 local terms energy: -345.512147 where: bonds (distance) C4'-P energy: -95.051 bonds (distance) P-C4' energy: -86.177 flat angles C4'-P-C4' energy: -76.309 flat angles P-C4'-P energy: -53.402 tors. eta vs tors. theta energy: -34.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -664.385777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.385777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.385777 (E_RNA) where: Base-Base interactions energy: -339.266 where: short stacking energy: -195.163 Base-Backbone interact. energy: 0.294 local terms energy: -325.412952 where: bonds (distance) C4'-P energy: -87.392 bonds (distance) P-C4' energy: -86.825 flat angles C4'-P-C4' energy: -67.147 flat angles P-C4'-P energy: -56.429 tors. eta vs tors. theta energy: -27.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -568.452127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.452127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.452127 (E_RNA) where: Base-Base interactions energy: -291.211 where: short stacking energy: -167.487 Base-Backbone interact. energy: -1.562 local terms energy: -275.679258 where: bonds (distance) C4'-P energy: -81.342 bonds (distance) P-C4' energy: -76.997 flat angles C4'-P-C4' energy: -71.994 flat angles P-C4'-P energy: -41.960 tors. eta vs tors. theta energy: -3.386 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: 10 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -420.318823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.318823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.318823 (E_RNA) where: Base-Base interactions energy: -141.923 where: short stacking energy: -120.367 Base-Backbone interact. energy: -2.436 local terms energy: -275.959723 where: bonds (distance) C4'-P energy: -85.951 bonds (distance) P-C4' energy: -75.805 flat angles C4'-P-C4' energy: -61.381 flat angles P-C4'-P energy: -32.951 tors. eta vs tors. theta energy: -19.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -373.646322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.646322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.646322 (E_RNA) where: Base-Base interactions energy: -138.836 where: short stacking energy: -109.382 Base-Backbone interact. energy: 1.994 local terms energy: -236.804965 where: bonds (distance) C4'-P energy: -71.839 bonds (distance) P-C4' energy: -77.762 flat angles C4'-P-C4' energy: -71.659 flat angles P-C4'-P energy: -30.723 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: 7 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1421.502274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.502274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.502274 (E_RNA) where: Base-Base interactions energy: -943.890 where: short stacking energy: -437.466 Base-Backbone interact. energy: -2.279 local terms energy: -475.332885 where: bonds (distance) C4'-P energy: -83.212 bonds (distance) P-C4' energy: -90.591 flat angles C4'-P-C4' energy: -109.234 flat angles P-C4'-P energy: -76.662 tors. eta vs tors. theta energy: -115.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1197.189604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.189604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.189604 (E_RNA) where: Base-Base interactions energy: -749.998 where: short stacking energy: -343.753 Base-Backbone interact. energy: -0.741 local terms energy: -446.450249 where: bonds (distance) C4'-P energy: -92.817 bonds (distance) P-C4' energy: -100.700 flat angles C4'-P-C4' energy: -93.385 flat angles P-C4'-P energy: -63.643 tors. eta vs tors. theta energy: -95.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1021.774703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.774703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.774703 (E_RNA) where: Base-Base interactions energy: -622.016 where: short stacking energy: -310.852 Base-Backbone interact. energy: -2.265 local terms energy: -397.493768 where: bonds (distance) C4'-P energy: -92.126 bonds (distance) P-C4' energy: -101.950 flat angles C4'-P-C4' energy: -89.516 flat angles P-C4'-P energy: -51.448 tors. eta vs tors. theta energy: -62.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1052.139151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.139151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.139151 (E_RNA) where: Base-Base interactions energy: -642.541 where: short stacking energy: -306.298 Base-Backbone interact. energy: -1.599 local terms energy: -407.998518 where: bonds (distance) C4'-P energy: -90.278 bonds (distance) P-C4' energy: -82.951 flat angles C4'-P-C4' energy: -94.790 flat angles P-C4'-P energy: -50.726 tors. eta vs tors. theta energy: -89.254 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: 5, replica: 1 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -850.723118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.723118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.723118 (E_RNA) where: Base-Base interactions energy: -499.732 where: short stacking energy: -229.430 Base-Backbone interact. energy: -1.653 local terms energy: -349.338079 where: bonds (distance) C4'-P energy: -91.685 bonds (distance) P-C4' energy: -87.550 flat angles C4'-P-C4' energy: -80.630 flat angles P-C4'-P energy: -53.140 tors. eta vs tors. theta energy: -36.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -796.773289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.773289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.773289 (E_RNA) where: Base-Base interactions energy: -444.658 where: short stacking energy: -234.891 Base-Backbone interact. energy: 3.648 local terms energy: -355.763592 where: bonds (distance) C4'-P energy: -86.982 bonds (distance) P-C4' energy: -88.680 flat angles C4'-P-C4' energy: -91.993 flat angles P-C4'-P energy: -44.952 tors. eta vs tors. theta energy: -43.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -772.049121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.049121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.049121 (E_RNA) where: Base-Base interactions energy: -395.232 where: short stacking energy: -216.640 Base-Backbone interact. energy: -1.727 local terms energy: -375.090110 where: bonds (distance) C4'-P energy: -86.195 bonds (distance) P-C4' energy: -96.072 flat angles C4'-P-C4' energy: -87.681 flat angles P-C4'-P energy: -57.556 tors. eta vs tors. theta energy: -47.587 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: 8 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -535.727574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.727574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.727574 (E_RNA) where: Base-Base interactions energy: -257.765 where: short stacking energy: -145.296 Base-Backbone interact. energy: -0.823 local terms energy: -277.140075 where: bonds (distance) C4'-P energy: -86.746 bonds (distance) P-C4' energy: -82.112 flat angles C4'-P-C4' energy: -65.171 flat angles P-C4'-P energy: -34.838 tors. eta vs tors. theta energy: -8.272 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: 9, replica: 10 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -400.536494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.536494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.536494 (E_RNA) where: Base-Base interactions energy: -133.281 where: short stacking energy: -113.927 Base-Backbone interact. energy: -1.320 local terms energy: -265.935713 where: bonds (distance) C4'-P energy: -84.377 bonds (distance) P-C4' energy: -86.460 flat angles C4'-P-C4' energy: -73.910 flat angles P-C4'-P energy: -37.680 tors. eta vs tors. theta energy: 16.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -397.001311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.001311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.001311 (E_RNA) where: Base-Base interactions energy: -139.806 where: short stacking energy: -114.340 Base-Backbone interact. energy: -2.511 local terms energy: -254.684391 where: bonds (distance) C4'-P energy: -77.086 bonds (distance) P-C4' energy: -80.364 flat angles C4'-P-C4' energy: -73.520 flat angles P-C4'-P energy: -40.005 tors. eta vs tors. theta energy: 16.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1422.371082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.371082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.371082 (E_RNA) where: Base-Base interactions energy: -927.014 where: short stacking energy: -442.906 Base-Backbone interact. energy: 0.739 local terms energy: -496.096205 where: bonds (distance) C4'-P energy: -102.242 bonds (distance) P-C4' energy: -102.022 flat angles C4'-P-C4' energy: -105.198 flat angles P-C4'-P energy: -67.163 tors. eta vs tors. theta energy: -119.472 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: 2, replica: 3 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1213.792852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.792852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.792852 (E_RNA) where: Base-Base interactions energy: -767.427 where: short stacking energy: -373.847 Base-Backbone interact. energy: 1.707 local terms energy: -448.073227 where: bonds (distance) C4'-P energy: -92.897 bonds (distance) P-C4' energy: -101.407 flat angles C4'-P-C4' energy: -101.168 flat angles P-C4'-P energy: -62.122 tors. eta vs tors. theta energy: -90.479 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: 3, replica: 4 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1019.241922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.241922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.241922 (E_RNA) where: Base-Base interactions energy: -589.701 where: short stacking energy: -306.961 Base-Backbone interact. energy: 1.202 local terms energy: -430.742856 where: bonds (distance) C4'-P energy: -93.322 bonds (distance) P-C4' energy: -109.690 flat angles C4'-P-C4' energy: -102.524 flat angles P-C4'-P energy: -59.893 tors. eta vs tors. theta energy: -65.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1066.156126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.156126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.156126 (E_RNA) where: Base-Base interactions energy: -662.659 where: short stacking energy: -297.228 Base-Backbone interact. energy: -4.022 local terms energy: -399.475230 where: bonds (distance) C4'-P energy: -89.644 bonds (distance) P-C4' energy: -78.864 flat angles C4'-P-C4' energy: -93.559 flat angles P-C4'-P energy: -51.717 tors. eta vs tors. theta energy: -85.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -860.381577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.381577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.381577 (E_RNA) where: Base-Base interactions energy: -511.281 where: short stacking energy: -238.914 Base-Backbone interact. energy: -2.914 local terms energy: -346.186759 where: bonds (distance) C4'-P energy: -85.693 bonds (distance) P-C4' energy: -99.044 flat angles C4'-P-C4' energy: -73.024 flat angles P-C4'-P energy: -38.850 tors. eta vs tors. theta energy: -49.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -795.521949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.521949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.521949 (E_RNA) where: Base-Base interactions energy: -443.193 where: short stacking energy: -224.738 Base-Backbone interact. energy: 0.615 local terms energy: -352.944353 where: bonds (distance) C4'-P energy: -82.069 bonds (distance) P-C4' energy: -78.978 flat angles C4'-P-C4' energy: -82.217 flat angles P-C4'-P energy: -61.931 tors. eta vs tors. theta energy: -47.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -754.278070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.278070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.278070 (E_RNA) where: Base-Base interactions energy: -429.456 where: short stacking energy: -220.523 Base-Backbone interact. energy: -1.358 local terms energy: -323.464175 where: bonds (distance) C4'-P energy: -72.598 bonds (distance) P-C4' energy: -88.254 flat angles C4'-P-C4' energy: -81.286 flat angles P-C4'-P energy: -43.554 tors. eta vs tors. theta energy: -37.772 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: 8, replica: 8 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -537.490022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.490022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.490022 (E_RNA) where: Base-Base interactions energy: -240.406 where: short stacking energy: -146.905 Base-Backbone interact. energy: 0.845 local terms energy: -297.929452 where: bonds (distance) C4'-P energy: -80.444 bonds (distance) P-C4' energy: -88.793 flat angles C4'-P-C4' energy: -76.606 flat angles P-C4'-P energy: -36.657 tors. eta vs tors. theta energy: -15.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -435.337655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.337655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.337655 (E_RNA) where: Base-Base interactions energy: -142.000 where: short stacking energy: -109.663 Base-Backbone interact. energy: 1.485 local terms energy: -294.822905 where: bonds (distance) C4'-P energy: -86.192 bonds (distance) P-C4' energy: -81.741 flat angles C4'-P-C4' energy: -65.049 flat angles P-C4'-P energy: -69.106 tors. eta vs tors. theta energy: 7.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -385.713368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.713368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.713368 (E_RNA) where: Base-Base interactions energy: -118.104 where: short stacking energy: -90.192 Base-Backbone interact. energy: 1.937 local terms energy: -269.546678 where: bonds (distance) C4'-P energy: -76.880 bonds (distance) P-C4' energy: -84.400 flat angles C4'-P-C4' energy: -70.689 flat angles P-C4'-P energy: -47.160 tors. eta vs tors. theta energy: 9.582 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: 7 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1427.863342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.863342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.863342 (E_RNA) where: Base-Base interactions energy: -941.775 where: short stacking energy: -415.269 Base-Backbone interact. energy: -1.233 local terms energy: -484.855391 where: bonds (distance) C4'-P energy: -93.036 bonds (distance) P-C4' energy: -101.903 flat angles C4'-P-C4' energy: -113.010 flat angles P-C4'-P energy: -54.286 tors. eta vs tors. theta energy: -122.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1265.420196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.420196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.420196 (E_RNA) where: Base-Base interactions energy: -815.493 where: short stacking energy: -386.740 Base-Backbone interact. energy: -0.620 local terms energy: -449.306773 where: bonds (distance) C4'-P energy: -88.785 bonds (distance) P-C4' energy: -94.793 flat angles C4'-P-C4' energy: -103.479 flat angles P-C4'-P energy: -63.321 tors. eta vs tors. theta energy: -98.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1115.971088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.971088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.971088 (E_RNA) where: Base-Base interactions energy: -701.045 where: short stacking energy: -344.512 Base-Backbone interact. energy: -0.349 local terms energy: -414.576571 where: bonds (distance) C4'-P energy: -81.237 bonds (distance) P-C4' energy: -87.633 flat angles C4'-P-C4' energy: -88.881 flat angles P-C4'-P energy: -64.335 tors. eta vs tors. theta energy: -92.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -979.566138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.566138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.566138 (E_RNA) where: Base-Base interactions energy: -569.389 where: short stacking energy: -296.248 Base-Backbone interact. energy: 2.785 local terms energy: -412.962070 where: bonds (distance) C4'-P energy: -92.629 bonds (distance) P-C4' energy: -108.547 flat angles C4'-P-C4' energy: -72.918 flat angles P-C4'-P energy: -62.645 tors. eta vs tors. theta energy: -76.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -887.084318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.084318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.084318 (E_RNA) where: Base-Base interactions energy: -518.926 where: short stacking energy: -250.390 Base-Backbone interact. energy: -1.152 local terms energy: -367.005472 where: bonds (distance) C4'-P energy: -95.313 bonds (distance) P-C4' energy: -90.999 flat angles C4'-P-C4' energy: -91.979 flat angles P-C4'-P energy: -50.177 tors. eta vs tors. theta energy: -38.538 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: 14 Temperature: 1.150000 Total energy: -872.303149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.303149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.303149 (E_RNA) where: Base-Base interactions energy: -516.654 where: short stacking energy: -242.802 Base-Backbone interact. energy: 0.175 local terms energy: -355.824364 where: bonds (distance) C4'-P energy: -83.781 bonds (distance) P-C4' energy: -89.188 flat angles C4'-P-C4' energy: -84.782 flat angles P-C4'-P energy: -53.029 tors. eta vs tors. theta energy: -45.044 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: 2 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -797.540635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.540635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.540635 (E_RNA) where: Base-Base interactions energy: -470.878 where: short stacking energy: -223.691 Base-Backbone interact. energy: -0.504 local terms energy: -326.158171 where: bonds (distance) C4'-P energy: -78.956 bonds (distance) P-C4' energy: -84.274 flat angles C4'-P-C4' energy: -88.359 flat angles P-C4'-P energy: -42.938 tors. eta vs tors. theta energy: -31.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -566.358673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.358673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.358673 (E_RNA) where: Base-Base interactions energy: -281.548 where: short stacking energy: -151.169 Base-Backbone interact. energy: -2.515 local terms energy: -282.295998 where: bonds (distance) C4'-P energy: -90.314 bonds (distance) P-C4' energy: -85.398 flat angles C4'-P-C4' energy: -75.667 flat angles P-C4'-P energy: -29.704 tors. eta vs tors. theta energy: -1.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -460.572269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.572269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.572269 (E_RNA) where: Base-Base interactions energy: -180.753 where: short stacking energy: -134.169 Base-Backbone interact. energy: -0.339 local terms energy: -279.480085 where: bonds (distance) C4'-P energy: -72.072 bonds (distance) P-C4' energy: -79.771 flat angles C4'-P-C4' energy: -84.559 flat angles P-C4'-P energy: -29.968 tors. eta vs tors. theta energy: -13.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -411.350002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.350002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.350002 (E_RNA) where: Base-Base interactions energy: -150.705 where: short stacking energy: -113.849 Base-Backbone interact. energy: -0.816 local terms energy: -259.829015 where: bonds (distance) C4'-P energy: -77.032 bonds (distance) P-C4' energy: -79.688 flat angles C4'-P-C4' energy: -68.802 flat angles P-C4'-P energy: -31.672 tors. eta vs tors. theta energy: -2.634 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: 7 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1442.940181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.940181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.940181 (E_RNA) where: Base-Base interactions energy: -942.130 where: short stacking energy: -426.839 Base-Backbone interact. energy: 0.296 local terms energy: -501.105902 where: bonds (distance) C4'-P energy: -107.768 bonds (distance) P-C4' energy: -96.056 flat angles C4'-P-C4' energy: -108.751 flat angles P-C4'-P energy: -71.527 tors. eta vs tors. theta energy: -117.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1295.821413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.821413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.821413 (E_RNA) where: Base-Base interactions energy: -843.177 where: short stacking energy: -391.620 Base-Backbone interact. energy: 0.793 local terms energy: -453.436573 where: bonds (distance) C4'-P energy: -90.304 bonds (distance) P-C4' energy: -85.014 flat angles C4'-P-C4' energy: -100.293 flat angles P-C4'-P energy: -67.822 tors. eta vs tors. theta energy: -110.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1193.794489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.794489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.794489 (E_RNA) where: Base-Base interactions energy: -737.775 where: short stacking energy: -376.206 Base-Backbone interact. energy: -2.853 local terms energy: -453.166452 where: bonds (distance) C4'-P energy: -91.909 bonds (distance) P-C4' energy: -87.525 flat angles C4'-P-C4' energy: -102.815 flat angles P-C4'-P energy: -66.193 tors. eta vs tors. theta energy: -104.724 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: 4 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -999.068392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.068392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.068392 (E_RNA) where: Base-Base interactions energy: -598.279 where: short stacking energy: -294.845 Base-Backbone interact. energy: -0.798 local terms energy: -399.991820 where: bonds (distance) C4'-P energy: -82.039 bonds (distance) P-C4' energy: -94.580 flat angles C4'-P-C4' energy: -97.698 flat angles P-C4'-P energy: -63.810 tors. eta vs tors. theta energy: -61.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -993.700580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.700580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.700580 (E_RNA) where: Base-Base interactions energy: -595.560 where: short stacking energy: -285.697 Base-Backbone interact. energy: -1.164 local terms energy: -396.977016 where: bonds (distance) C4'-P energy: -90.462 bonds (distance) P-C4' energy: -90.122 flat angles C4'-P-C4' energy: -90.437 flat angles P-C4'-P energy: -58.641 tors. eta vs tors. theta energy: -67.315 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: 2 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -792.879773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.879773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.879773 (E_RNA) where: Base-Base interactions energy: -444.275 where: short stacking energy: -228.637 Base-Backbone interact. energy: -0.651 local terms energy: -347.953493 where: bonds (distance) C4'-P energy: -90.969 bonds (distance) P-C4' energy: -90.740 flat angles C4'-P-C4' energy: -69.726 flat angles P-C4'-P energy: -48.575 tors. eta vs tors. theta energy: -47.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -732.788537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.788537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.788537 (E_RNA) where: Base-Base interactions energy: -389.716 where: short stacking energy: -187.703 Base-Backbone interact. energy: 0.862 local terms energy: -343.934541 where: bonds (distance) C4'-P energy: -85.283 bonds (distance) P-C4' energy: -98.495 flat angles C4'-P-C4' energy: -86.693 flat angles P-C4'-P energy: -48.918 tors. eta vs tors. theta energy: -24.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -575.660519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.660519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.660519 (E_RNA) where: Base-Base interactions energy: -283.066 where: short stacking energy: -165.923 Base-Backbone interact. energy: 1.465 local terms energy: -294.059811 where: bonds (distance) C4'-P energy: -76.985 bonds (distance) P-C4' energy: -87.929 flat angles C4'-P-C4' energy: -78.186 flat angles P-C4'-P energy: -39.952 tors. eta vs tors. theta energy: -11.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -457.600356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.600356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.600356 (E_RNA) where: Base-Base interactions energy: -198.990 where: short stacking energy: -106.911 Base-Backbone interact. energy: 1.005 local terms energy: -259.615991 where: bonds (distance) C4'-P energy: -90.920 bonds (distance) P-C4' energy: -97.209 flat angles C4'-P-C4' energy: -50.723 flat angles P-C4'-P energy: -41.033 tors. eta vs tors. theta energy: 20.269 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: 10 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -394.161318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.161318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.161318 (E_RNA) where: Base-Base interactions energy: -126.735 where: short stacking energy: -113.595 Base-Backbone interact. energy: -0.318 local terms energy: -267.108692 where: bonds (distance) C4'-P energy: -73.442 bonds (distance) P-C4' energy: -83.712 flat angles C4'-P-C4' energy: -67.513 flat angles P-C4'-P energy: -41.223 tors. eta vs tors. theta energy: -1.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1473.104732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.104732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.104732 (E_RNA) where: Base-Base interactions energy: -972.150 where: short stacking energy: -439.539 Base-Backbone interact. energy: -1.765 local terms energy: -499.189971 where: bonds (distance) C4'-P energy: -107.626 bonds (distance) P-C4' energy: -94.334 flat angles C4'-P-C4' energy: -100.618 flat angles P-C4'-P energy: -68.046 tors. eta vs tors. theta energy: -128.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1375.271709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.271709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.271709 (E_RNA) where: Base-Base interactions energy: -905.033 where: short stacking energy: -437.373 Base-Backbone interact. energy: -0.104 local terms energy: -470.135194 where: bonds (distance) C4'-P energy: -91.717 bonds (distance) P-C4' energy: -93.955 flat angles C4'-P-C4' energy: -101.275 flat angles P-C4'-P energy: -71.448 tors. eta vs tors. theta energy: -111.741 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: 5 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1162.046514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.046514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.046514 (E_RNA) where: Base-Base interactions energy: -733.560 where: short stacking energy: -379.701 Base-Backbone interact. energy: -0.941 local terms energy: -427.545950 where: bonds (distance) C4'-P energy: -80.900 bonds (distance) P-C4' energy: -93.002 flat angles C4'-P-C4' energy: -94.867 flat angles P-C4'-P energy: -52.278 tors. eta vs tors. theta energy: -106.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1024.878027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.878027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.878027 (E_RNA) where: Base-Base interactions energy: -624.239 where: short stacking energy: -294.482 Base-Backbone interact. energy: 0.290 local terms energy: -400.929944 where: bonds (distance) C4'-P energy: -84.600 bonds (distance) P-C4' energy: -94.401 flat angles C4'-P-C4' energy: -97.295 flat angles P-C4'-P energy: -53.279 tors. eta vs tors. theta energy: -71.355 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: 5, replica: 1 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -915.074797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.074797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.074797 (E_RNA) where: Base-Base interactions energy: -537.881 where: short stacking energy: -279.365 Base-Backbone interact. energy: -2.229 local terms energy: -374.964773 where: bonds (distance) C4'-P energy: -69.722 bonds (distance) P-C4' energy: -97.603 flat angles C4'-P-C4' energy: -79.516 flat angles P-C4'-P energy: -63.287 tors. eta vs tors. theta energy: -64.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -843.868138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.868138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.868138 (E_RNA) where: Base-Base interactions energy: -499.288 where: short stacking energy: -236.058 Base-Backbone interact. energy: -2.551 local terms energy: -342.028977 where: bonds (distance) C4'-P energy: -83.305 bonds (distance) P-C4' energy: -87.104 flat angles C4'-P-C4' energy: -83.217 flat angles P-C4'-P energy: -44.682 tors. eta vs tors. theta energy: -43.720 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: 6 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -743.107695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.107695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.107695 (E_RNA) where: Base-Base interactions energy: -381.325 where: short stacking energy: -212.612 Base-Backbone interact. energy: 1.350 local terms energy: -363.133188 where: bonds (distance) C4'-P energy: -82.070 bonds (distance) P-C4' energy: -95.788 flat angles C4'-P-C4' energy: -87.137 flat angles P-C4'-P energy: -55.027 tors. eta vs tors. theta energy: -43.110 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: 8 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -508.713542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.713542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.713542 (E_RNA) where: Base-Base interactions energy: -233.851 where: short stacking energy: -134.828 Base-Backbone interact. energy: 0.798 local terms energy: -275.661142 where: bonds (distance) C4'-P energy: -68.846 bonds (distance) P-C4' energy: -83.933 flat angles C4'-P-C4' energy: -77.421 flat angles P-C4'-P energy: -52.268 tors. eta vs tors. theta energy: 6.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -445.163215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.163215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.163215 (E_RNA) where: Base-Base interactions energy: -188.468 where: short stacking energy: -142.568 Base-Backbone interact. energy: 1.066 local terms energy: -257.760689 where: bonds (distance) C4'-P energy: -63.352 bonds (distance) P-C4' energy: -93.177 flat angles C4'-P-C4' energy: -67.220 flat angles P-C4'-P energy: -46.639 tors. eta vs tors. theta energy: 12.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -406.891842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.891842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.891842 (E_RNA) where: Base-Base interactions energy: -167.196 where: short stacking energy: -123.719 Base-Backbone interact. energy: 1.613 local terms energy: -241.308841 where: bonds (distance) C4'-P energy: -76.769 bonds (distance) P-C4' energy: -86.408 flat angles C4'-P-C4' energy: -77.088 flat angles P-C4'-P energy: -11.869 tors. eta vs tors. theta energy: 10.825 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: 7 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1511.483246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.483246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.483246 (E_RNA) where: Base-Base interactions energy: -991.501 where: short stacking energy: -424.813 Base-Backbone interact. energy: 1.707 local terms energy: -521.689737 where: bonds (distance) C4'-P energy: -101.410 bonds (distance) P-C4' energy: -107.924 flat angles C4'-P-C4' energy: -110.238 flat angles P-C4'-P energy: -82.378 tors. eta vs tors. theta energy: -119.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1384.664752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.664752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.664752 (E_RNA) where: Base-Base interactions energy: -904.841 where: short stacking energy: -419.306 Base-Backbone interact. energy: -0.435 local terms energy: -479.388260 where: bonds (distance) C4'-P energy: -97.428 bonds (distance) P-C4' energy: -87.358 flat angles C4'-P-C4' energy: -110.264 flat angles P-C4'-P energy: -62.813 tors. eta vs tors. theta energy: -121.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1133.719729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.719729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.719729 (E_RNA) where: Base-Base interactions energy: -708.087 where: short stacking energy: -325.095 Base-Backbone interact. energy: -1.181 local terms energy: -424.452544 where: bonds (distance) C4'-P energy: -85.281 bonds (distance) P-C4' energy: -98.132 flat angles C4'-P-C4' energy: -100.328 flat angles P-C4'-P energy: -62.060 tors. eta vs tors. theta energy: -78.651 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: 4 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1113.394073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.394073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.394073 (E_RNA) where: Base-Base interactions energy: -715.846 where: short stacking energy: -319.708 Base-Backbone interact. energy: -2.288 local terms energy: -395.260224 where: bonds (distance) C4'-P energy: -79.852 bonds (distance) P-C4' energy: -89.770 flat angles C4'-P-C4' energy: -81.604 flat angles P-C4'-P energy: -68.127 tors. eta vs tors. theta energy: -75.907 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: 1 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -959.236572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.236572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.236572 (E_RNA) where: Base-Base interactions energy: -595.030 where: short stacking energy: -275.166 Base-Backbone interact. energy: -1.721 local terms energy: -362.485735 where: bonds (distance) C4'-P energy: -71.084 bonds (distance) P-C4' energy: -91.885 flat angles C4'-P-C4' energy: -74.158 flat angles P-C4'-P energy: -59.946 tors. eta vs tors. theta energy: -65.412 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: 2 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -934.033589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.033589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.033589 (E_RNA) where: Base-Base interactions energy: -578.701 where: short stacking energy: -273.940 Base-Backbone interact. energy: -2.469 local terms energy: -352.863303 where: bonds (distance) C4'-P energy: -79.804 bonds (distance) P-C4' energy: -81.357 flat angles C4'-P-C4' energy: -83.093 flat angles P-C4'-P energy: -44.628 tors. eta vs tors. theta energy: -63.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -796.306185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.306185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.306185 (E_RNA) where: Base-Base interactions energy: -452.728 where: short stacking energy: -211.270 Base-Backbone interact. energy: -1.900 local terms energy: -341.678685 where: bonds (distance) C4'-P energy: -75.557 bonds (distance) P-C4' energy: -88.380 flat angles C4'-P-C4' energy: -78.545 flat angles P-C4'-P energy: -52.652 tors. eta vs tors. theta energy: -46.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -520.349912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.349912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.349912 (E_RNA) where: Base-Base interactions energy: -219.992 where: short stacking energy: -158.455 Base-Backbone interact. energy: 2.172 local terms energy: -302.529783 where: bonds (distance) C4'-P energy: -88.293 bonds (distance) P-C4' energy: -90.705 flat angles C4'-P-C4' energy: -59.574 flat angles P-C4'-P energy: -54.423 tors. eta vs tors. theta energy: -9.534 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: 9, replica: 10 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -483.115424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.115424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.115424 (E_RNA) where: Base-Base interactions energy: -214.895 where: short stacking energy: -132.068 Base-Backbone interact. energy: -1.447 local terms energy: -266.773494 where: bonds (distance) C4'-P energy: -77.504 bonds (distance) P-C4' energy: -86.839 flat angles C4'-P-C4' energy: -67.513 flat angles P-C4'-P energy: -40.242 tors. eta vs tors. theta energy: 5.325 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: 10, replica: 9 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -369.457089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.457089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.457089 (E_RNA) where: Base-Base interactions energy: -120.035 where: short stacking energy: -95.078 Base-Backbone interact. energy: 2.589 local terms energy: -252.011114 where: bonds (distance) C4'-P energy: -73.370 bonds (distance) P-C4' energy: -90.916 flat angles C4'-P-C4' energy: -77.109 flat angles P-C4'-P energy: -30.833 tors. eta vs tors. theta energy: 20.217 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: 7 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1504.033916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.033916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.033916 (E_RNA) where: Base-Base interactions energy: -1012.164 where: short stacking energy: -416.491 Base-Backbone interact. energy: -0.935 local terms energy: -490.934459 where: bonds (distance) C4'-P energy: -105.215 bonds (distance) P-C4' energy: -91.664 flat angles C4'-P-C4' energy: -104.950 flat angles P-C4'-P energy: -69.954 tors. eta vs tors. theta energy: -119.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1338.410781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.410781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.410781 (E_RNA) where: Base-Base interactions energy: -836.842 where: short stacking energy: -435.837 Base-Backbone interact. energy: 0.453 local terms energy: -502.022368 where: bonds (distance) C4'-P energy: -96.679 bonds (distance) P-C4' energy: -92.576 flat angles C4'-P-C4' energy: -105.476 flat angles P-C4'-P energy: -75.846 tors. eta vs tors. theta energy: -131.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1189.393699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.393699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.393699 (E_RNA) where: Base-Base interactions energy: -758.343 where: short stacking energy: -349.928 Base-Backbone interact. energy: -0.357 local terms energy: -430.693094 where: bonds (distance) C4'-P energy: -88.402 bonds (distance) P-C4' energy: -96.371 flat angles C4'-P-C4' energy: -92.082 flat angles P-C4'-P energy: -58.540 tors. eta vs tors. theta energy: -95.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1168.802064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.802064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.802064 (E_RNA) where: Base-Base interactions energy: -740.056 where: short stacking energy: -345.458 Base-Backbone interact. energy: 2.751 local terms energy: -431.497146 where: bonds (distance) C4'-P energy: -81.675 bonds (distance) P-C4' energy: -98.089 flat angles C4'-P-C4' energy: -95.131 flat angles P-C4'-P energy: -69.360 tors. eta vs tors. theta energy: -87.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1095.707573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.707573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.707573 (E_RNA) where: Base-Base interactions energy: -687.849 where: short stacking energy: -317.471 Base-Backbone interact. energy: 2.307 local terms energy: -410.164833 where: bonds (distance) C4'-P energy: -90.003 bonds (distance) P-C4' energy: -89.569 flat angles C4'-P-C4' energy: -95.060 flat angles P-C4'-P energy: -58.309 tors. eta vs tors. theta energy: -77.223 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: 1 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -952.580159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.580159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.580159 (E_RNA) where: Base-Base interactions energy: -590.908 where: short stacking energy: -292.701 Base-Backbone interact. energy: -0.844 local terms energy: -360.828900 where: bonds (distance) C4'-P energy: -75.641 bonds (distance) P-C4' energy: -81.249 flat angles C4'-P-C4' energy: -83.167 flat angles P-C4'-P energy: -52.359 tors. eta vs tors. theta energy: -68.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -826.554652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.554652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.554652 (E_RNA) where: Base-Base interactions energy: -479.028 where: short stacking energy: -237.890 Base-Backbone interact. energy: 0.426 local terms energy: -347.952500 where: bonds (distance) C4'-P energy: -77.442 bonds (distance) P-C4' energy: -74.549 flat angles C4'-P-C4' energy: -98.177 flat angles P-C4'-P energy: -61.554 tors. eta vs tors. theta energy: -36.231 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: 8 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -534.421824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.421824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.421824 (E_RNA) where: Base-Base interactions energy: -256.814 where: short stacking energy: -168.486 Base-Backbone interact. energy: -0.788 local terms energy: -276.820111 where: bonds (distance) C4'-P energy: -75.335 bonds (distance) P-C4' energy: -71.752 flat angles C4'-P-C4' energy: -76.882 flat angles P-C4'-P energy: -40.099 tors. eta vs tors. theta energy: -12.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -434.518092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.518092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.518092 (E_RNA) where: Base-Base interactions energy: -171.128 where: short stacking energy: -134.506 Base-Backbone interact. energy: -0.263 local terms energy: -263.126510 where: bonds (distance) C4'-P energy: -79.533 bonds (distance) P-C4' energy: -79.259 flat angles C4'-P-C4' energy: -72.455 flat angles P-C4'-P energy: -43.710 tors. eta vs tors. theta energy: 11.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -365.584190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.584190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.584190 (E_RNA) where: Base-Base interactions energy: -139.815 where: short stacking energy: -115.031 Base-Backbone interact. energy: 0.727 local terms energy: -226.496264 where: bonds (distance) C4'-P energy: -64.776 bonds (distance) P-C4' energy: -85.233 flat angles C4'-P-C4' energy: -54.077 flat angles P-C4'-P energy: -35.748 tors. eta vs tors. theta energy: 13.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1542.914174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.914174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.914174 (E_RNA) where: Base-Base interactions energy: -1032.141 where: short stacking energy: -425.389 Base-Backbone interact. energy: -2.967 local terms energy: -507.805675 where: bonds (distance) C4'-P energy: -94.260 bonds (distance) P-C4' energy: -106.788 flat angles C4'-P-C4' energy: -119.538 flat angles P-C4'-P energy: -78.112 tors. eta vs tors. theta energy: -109.107 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: 3 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1369.181309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.181309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.181309 (E_RNA) where: Base-Base interactions energy: -885.514 where: short stacking energy: -408.799 Base-Backbone interact. energy: -1.974 local terms energy: -481.692876 where: bonds (distance) C4'-P energy: -92.889 bonds (distance) P-C4' energy: -94.713 flat angles C4'-P-C4' energy: -109.955 flat angles P-C4'-P energy: -73.228 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: 3, replica: 4 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1214.627632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.627632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.627632 (E_RNA) where: Base-Base interactions energy: -786.781 where: short stacking energy: -353.680 Base-Backbone interact. energy: -2.045 local terms energy: -425.802108 where: bonds (distance) C4'-P energy: -89.946 bonds (distance) P-C4' energy: -81.078 flat angles C4'-P-C4' energy: -99.868 flat angles P-C4'-P energy: -60.023 tors. eta vs tors. theta energy: -94.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1150.197153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.197153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.197153 (E_RNA) where: Base-Base interactions energy: -724.110 where: short stacking energy: -317.295 Base-Backbone interact. energy: 1.134 local terms energy: -427.220997 where: bonds (distance) C4'-P energy: -76.432 bonds (distance) P-C4' energy: -93.818 flat angles C4'-P-C4' energy: -94.675 flat angles P-C4'-P energy: -69.237 tors. eta vs tors. theta energy: -93.058 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: 2 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1139.941068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.941068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.941068 (E_RNA) where: Base-Base interactions energy: -721.714 where: short stacking energy: -330.704 Base-Backbone interact. energy: -0.513 local terms energy: -417.714240 where: bonds (distance) C4'-P energy: -89.910 bonds (distance) P-C4' energy: -83.285 flat angles C4'-P-C4' energy: -91.864 flat angles P-C4'-P energy: -64.088 tors. eta vs tors. theta energy: -88.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -915.968610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.968610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.968610 (E_RNA) where: Base-Base interactions energy: -574.322 where: short stacking energy: -259.336 Base-Backbone interact. energy: -2.540 local terms energy: -339.106283 where: bonds (distance) C4'-P energy: -79.523 bonds (distance) P-C4' energy: -85.948 flat angles C4'-P-C4' energy: -89.476 flat angles P-C4'-P energy: -46.757 tors. eta vs tors. theta energy: -37.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -842.926345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.926345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.926345 (E_RNA) where: Base-Base interactions energy: -521.876 where: short stacking energy: -267.640 Base-Backbone interact. energy: -0.399 local terms energy: -320.651578 where: bonds (distance) C4'-P energy: -84.025 bonds (distance) P-C4' energy: -79.354 flat angles C4'-P-C4' energy: -74.550 flat angles P-C4'-P energy: -42.831 tors. eta vs tors. theta energy: -39.892 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: 8, replica: 8 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -559.150009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.150009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.150009 (E_RNA) where: Base-Base interactions energy: -274.194 where: short stacking energy: -138.719 Base-Backbone interact. energy: -1.216 local terms energy: -283.739724 where: bonds (distance) C4'-P energy: -78.470 bonds (distance) P-C4' energy: -82.484 flat angles C4'-P-C4' energy: -71.394 flat angles P-C4'-P energy: -45.911 tors. eta vs tors. theta energy: -5.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -469.721606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.721606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.721606 (E_RNA) where: Base-Base interactions energy: -204.528 where: short stacking energy: -119.029 Base-Backbone interact. energy: 0.100 local terms energy: -265.293207 where: bonds (distance) C4'-P energy: -77.638 bonds (distance) P-C4' energy: -79.259 flat angles C4'-P-C4' energy: -70.954 flat angles P-C4'-P energy: -53.324 tors. eta vs tors. theta energy: 15.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -372.481606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.481606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.481606 (E_RNA) where: Base-Base interactions energy: -170.974 where: short stacking energy: -112.938 Base-Backbone interact. energy: 5.937 local terms energy: -207.444740 where: bonds (distance) C4'-P energy: -72.986 bonds (distance) P-C4' energy: -74.983 flat angles C4'-P-C4' energy: -58.000 flat angles P-C4'-P energy: -26.728 tors. eta vs tors. theta energy: 25.251 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: 7 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1537.110067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.110067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.110067 (E_RNA) where: Base-Base interactions energy: -1021.137 where: short stacking energy: -445.466 Base-Backbone interact. energy: -4.145 local terms energy: -511.827507 where: bonds (distance) C4'-P energy: -104.626 bonds (distance) P-C4' energy: -102.645 flat angles C4'-P-C4' energy: -110.022 flat angles P-C4'-P energy: -70.539 tors. eta vs tors. theta energy: -123.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1322.596475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.596475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.596475 (E_RNA) where: Base-Base interactions energy: -844.735 where: short stacking energy: -410.560 Base-Backbone interact. energy: -1.605 local terms energy: -476.256576 where: bonds (distance) C4'-P energy: -87.083 bonds (distance) P-C4' energy: -102.436 flat angles C4'-P-C4' energy: -116.996 flat angles P-C4'-P energy: -63.294 tors. eta vs tors. theta energy: -106.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1287.692252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.692252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.692252 (E_RNA) where: Base-Base interactions energy: -852.880 where: short stacking energy: -377.352 Base-Backbone interact. energy: -4.452 local terms energy: -430.361184 where: bonds (distance) C4'-P energy: -95.066 bonds (distance) P-C4' energy: -86.662 flat angles C4'-P-C4' energy: -91.306 flat angles P-C4'-P energy: -51.834 tors. eta vs tors. theta energy: -105.494 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: 20 Temperature: 1.050000 Total energy: -1145.573440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.573440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.573440 (E_RNA) where: Base-Base interactions energy: -737.425 where: short stacking energy: -347.741 Base-Backbone interact. energy: 1.733 local terms energy: -409.881523 where: bonds (distance) C4'-P energy: -75.732 bonds (distance) P-C4' energy: -99.310 flat angles C4'-P-C4' energy: -82.325 flat angles P-C4'-P energy: -62.485 tors. eta vs tors. theta energy: -90.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1175.901449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.901449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.901449 (E_RNA) where: Base-Base interactions energy: -770.068 where: short stacking energy: -360.005 Base-Backbone interact. energy: 0.178 local terms energy: -406.011801 where: bonds (distance) C4'-P energy: -78.184 bonds (distance) P-C4' energy: -85.882 flat angles C4'-P-C4' energy: -100.156 flat angles P-C4'-P energy: -53.192 tors. eta vs tors. theta energy: -88.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -913.250675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.250675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.250675 (E_RNA) where: Base-Base interactions energy: -561.877 where: short stacking energy: -262.482 Base-Backbone interact. energy: -1.021 local terms energy: -350.352612 where: bonds (distance) C4'-P energy: -82.983 bonds (distance) P-C4' energy: -81.425 flat angles C4'-P-C4' energy: -87.844 flat angles P-C4'-P energy: -51.359 tors. eta vs tors. theta energy: -46.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -863.926845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.926845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.926845 (E_RNA) where: Base-Base interactions energy: -527.696 where: short stacking energy: -265.104 Base-Backbone interact. energy: 2.440 local terms energy: -338.670804 where: bonds (distance) C4'-P energy: -78.770 bonds (distance) P-C4' energy: -81.517 flat angles C4'-P-C4' energy: -76.353 flat angles P-C4'-P energy: -53.261 tors. eta vs tors. theta energy: -48.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -530.911571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.911571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.911571 (E_RNA) where: Base-Base interactions energy: -264.568 where: short stacking energy: -162.205 Base-Backbone interact. energy: -0.292 local terms energy: -266.051191 where: bonds (distance) C4'-P energy: -71.687 bonds (distance) P-C4' energy: -95.095 flat angles C4'-P-C4' energy: -58.024 flat angles P-C4'-P energy: -40.739 tors. eta vs tors. theta energy: -0.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -500.378002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.378002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.378002 (E_RNA) where: Base-Base interactions energy: -235.902 where: short stacking energy: -132.826 Base-Backbone interact. energy: 1.263 local terms energy: -265.738648 where: bonds (distance) C4'-P energy: -81.899 bonds (distance) P-C4' energy: -72.708 flat angles C4'-P-C4' energy: -73.248 flat angles P-C4'-P energy: -46.323 tors. eta vs tors. theta energy: 8.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -399.866793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.866793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.866793 (E_RNA) where: Base-Base interactions energy: -148.461 where: short stacking energy: -95.087 Base-Backbone interact. energy: 6.010 local terms energy: -257.415786 where: bonds (distance) C4'-P energy: -73.786 bonds (distance) P-C4' energy: -89.613 flat angles C4'-P-C4' energy: -61.318 flat angles P-C4'-P energy: -44.567 tors. eta vs tors. theta energy: 11.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1541.573318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.573318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.573318 (E_RNA) where: Base-Base interactions energy: -1055.362 where: short stacking energy: -441.335 Base-Backbone interact. energy: -0.015 local terms energy: -486.196777 where: bonds (distance) C4'-P energy: -95.008 bonds (distance) P-C4' energy: -90.099 flat angles C4'-P-C4' energy: -111.696 flat angles P-C4'-P energy: -71.660 tors. eta vs tors. theta energy: -117.734 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: 3 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1350.333231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.333231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.333231 (E_RNA) where: Base-Base interactions energy: -887.244 where: short stacking energy: -408.554 Base-Backbone interact. energy: -0.866 local terms energy: -462.223196 where: bonds (distance) C4'-P energy: -81.225 bonds (distance) P-C4' energy: -100.476 flat angles C4'-P-C4' energy: -101.460 flat angles P-C4'-P energy: -65.354 tors. eta vs tors. theta energy: -113.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1278.700146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.700146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.700146 (E_RNA) where: Base-Base interactions energy: -855.097 where: short stacking energy: -387.254 Base-Backbone interact. energy: -1.114 local terms energy: -422.489456 where: bonds (distance) C4'-P energy: -94.941 bonds (distance) P-C4' energy: -80.543 flat angles C4'-P-C4' energy: -97.368 flat angles P-C4'-P energy: -55.551 tors. eta vs tors. theta energy: -94.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1252.233988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.233988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.233988 (E_RNA) where: Base-Base interactions energy: -821.026 where: short stacking energy: -374.808 Base-Backbone interact. energy: -2.564 local terms energy: -428.644005 where: bonds (distance) C4'-P energy: -88.951 bonds (distance) P-C4' energy: -88.295 flat angles C4'-P-C4' energy: -94.524 flat angles P-C4'-P energy: -68.249 tors. eta vs tors. theta energy: -88.625 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: 5, replica: 5 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1055.967186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.967186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.967186 (E_RNA) where: Base-Base interactions energy: -662.831 where: short stacking energy: -296.006 Base-Backbone interact. energy: 1.872 local terms energy: -395.007637 where: bonds (distance) C4'-P energy: -87.318 bonds (distance) P-C4' energy: -90.384 flat angles C4'-P-C4' energy: -97.538 flat angles P-C4'-P energy: -57.068 tors. eta vs tors. theta energy: -62.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1013.105917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.105917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.105917 (E_RNA) where: Base-Base interactions energy: -630.565 where: short stacking energy: -272.960 Base-Backbone interact. energy: -0.553 local terms energy: -381.987798 where: bonds (distance) C4'-P energy: -87.925 bonds (distance) P-C4' energy: -98.085 flat angles C4'-P-C4' energy: -86.430 flat angles P-C4'-P energy: -58.704 tors. eta vs tors. theta energy: -50.843 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: 1 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -873.913332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.913332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.913332 (E_RNA) where: Base-Base interactions energy: -553.220 where: short stacking energy: -267.674 Base-Backbone interact. energy: 0.173 local terms energy: -320.866204 where: bonds (distance) C4'-P energy: -69.648 bonds (distance) P-C4' energy: -85.759 flat angles C4'-P-C4' energy: -73.181 flat angles P-C4'-P energy: -43.271 tors. eta vs tors. theta energy: -49.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -536.005062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.005062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.005062 (E_RNA) where: Base-Base interactions energy: -247.774 where: short stacking energy: -121.190 Base-Backbone interact. energy: -1.712 local terms energy: -286.519439 where: bonds (distance) C4'-P energy: -78.506 bonds (distance) P-C4' energy: -93.165 flat angles C4'-P-C4' energy: -81.079 flat angles P-C4'-P energy: -48.839 tors. eta vs tors. theta energy: 15.070 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: 21 Temperature: 1.300000 Total energy: -489.866816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.866816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.866816 (E_RNA) where: Base-Base interactions energy: -195.255 where: short stacking energy: -142.177 Base-Backbone interact. energy: 1.790 local terms energy: -296.401765 where: bonds (distance) C4'-P energy: -84.854 bonds (distance) P-C4' energy: -84.887 flat angles C4'-P-C4' energy: -79.076 flat angles P-C4'-P energy: -42.626 tors. eta vs tors. theta energy: -4.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -369.386341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.386341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.386341 (E_RNA) where: Base-Base interactions energy: -135.033 where: short stacking energy: -109.683 Base-Backbone interact. energy: 3.377 local terms energy: -237.730367 where: bonds (distance) C4'-P energy: -77.727 bonds (distance) P-C4' energy: -81.235 flat angles C4'-P-C4' energy: -59.597 flat angles P-C4'-P energy: -44.168 tors. eta vs tors. theta energy: 24.996 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: 7 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1511.384049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.384049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.384049 (E_RNA) where: Base-Base interactions energy: -1038.482 where: short stacking energy: -443.326 Base-Backbone interact. energy: -1.403 local terms energy: -471.499078 where: bonds (distance) C4'-P energy: -95.702 bonds (distance) P-C4' energy: -92.756 flat angles C4'-P-C4' energy: -97.106 flat angles P-C4'-P energy: -73.139 tors. eta vs tors. theta energy: -112.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1376.017263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.017263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.017263 (E_RNA) where: Base-Base interactions energy: -908.338 where: short stacking energy: -401.354 Base-Backbone interact. energy: -0.131 local terms energy: -467.548003 where: bonds (distance) C4'-P energy: -95.029 bonds (distance) P-C4' energy: -96.441 flat angles C4'-P-C4' energy: -110.355 flat angles P-C4'-P energy: -69.814 tors. eta vs tors. theta energy: -95.910 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: 22 Temperature: 1.000000 Total energy: -1381.250609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.250609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.250609 (E_RNA) where: Base-Base interactions energy: -903.171 where: short stacking energy: -397.103 Base-Backbone interact. energy: -1.305 local terms energy: -476.774781 where: bonds (distance) C4'-P energy: -90.232 bonds (distance) P-C4' energy: -97.622 flat angles C4'-P-C4' energy: -108.053 flat angles P-C4'-P energy: -64.861 tors. eta vs tors. theta energy: -116.006 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: 4, replica: 4 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1243.594698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.594698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.594698 (E_RNA) where: Base-Base interactions energy: -792.968 where: short stacking energy: -353.764 Base-Backbone interact. energy: 0.340 local terms energy: -450.967060 where: bonds (distance) C4'-P energy: -92.496 bonds (distance) P-C4' energy: -94.258 flat angles C4'-P-C4' energy: -102.499 flat angles P-C4'-P energy: -67.984 tors. eta vs tors. theta energy: -93.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1081.725030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.725030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.725030 (E_RNA) where: Base-Base interactions energy: -692.665 where: short stacking energy: -328.252 Base-Backbone interact. energy: 0.443 local terms energy: -389.503749 where: bonds (distance) C4'-P energy: -85.418 bonds (distance) P-C4' energy: -77.073 flat angles C4'-P-C4' energy: -85.123 flat angles P-C4'-P energy: -62.096 tors. eta vs tors. theta energy: -79.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1046.886869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.886869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.886869 (E_RNA) where: Base-Base interactions energy: -625.878 where: short stacking energy: -292.620 Base-Backbone interact. energy: -1.683 local terms energy: -419.325701 where: bonds (distance) C4'-P energy: -92.191 bonds (distance) P-C4' energy: -92.716 flat angles C4'-P-C4' energy: -97.723 flat angles P-C4'-P energy: -59.769 tors. eta vs tors. theta energy: -76.928 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: 22 Temperature: 1.200000 Total energy: -876.041561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.041561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.041561 (E_RNA) where: Base-Base interactions energy: -512.618 where: short stacking energy: -243.587 Base-Backbone interact. energy: -0.225 local terms energy: -363.198000 where: bonds (distance) C4'-P energy: -83.324 bonds (distance) P-C4' energy: -85.256 flat angles C4'-P-C4' energy: -83.551 flat angles P-C4'-P energy: -64.919 tors. eta vs tors. theta energy: -46.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -599.816166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.816166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.816166 (E_RNA) where: Base-Base interactions energy: -311.281 where: short stacking energy: -164.871 Base-Backbone interact. energy: -0.430 local terms energy: -288.105196 where: bonds (distance) C4'-P energy: -79.434 bonds (distance) P-C4' energy: -84.955 flat angles C4'-P-C4' energy: -83.492 flat angles P-C4'-P energy: -33.208 tors. eta vs tors. theta energy: -7.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -517.403394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.403394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.403394 (E_RNA) where: Base-Base interactions energy: -251.746 where: short stacking energy: -161.630 Base-Backbone interact. energy: 0.733 local terms energy: -266.390262 where: bonds (distance) C4'-P energy: -71.772 bonds (distance) P-C4' energy: -88.462 flat angles C4'-P-C4' energy: -62.830 flat angles P-C4'-P energy: -52.908 tors. eta vs tors. theta energy: 9.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -395.703605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.703605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.703605 (E_RNA) where: Base-Base interactions energy: -155.934 where: short stacking energy: -113.296 Base-Backbone interact. energy: 1.261 local terms energy: -241.031000 where: bonds (distance) C4'-P energy: -79.011 bonds (distance) P-C4' energy: -82.445 flat angles C4'-P-C4' energy: -65.579 flat angles P-C4'-P energy: -31.228 tors. eta vs tors. theta energy: 17.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1550.198771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.198771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.198771 (E_RNA) where: Base-Base interactions energy: -1074.529 where: short stacking energy: -452.939 Base-Backbone interact. energy: -5.067 local terms energy: -470.602981 where: bonds (distance) C4'-P energy: -81.251 bonds (distance) P-C4' energy: -97.205 flat angles C4'-P-C4' energy: -104.057 flat angles P-C4'-P energy: -73.954 tors. eta vs tors. theta energy: -114.136 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: 2 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1495.304636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.304636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.304636 (E_RNA) where: Base-Base interactions energy: -1003.149 where: short stacking energy: -428.867 Base-Backbone interact. energy: -1.884 local terms energy: -490.272361 where: bonds (distance) C4'-P energy: -96.075 bonds (distance) P-C4' energy: -105.102 flat angles C4'-P-C4' energy: -106.670 flat angles P-C4'-P energy: -66.158 tors. eta vs tors. theta energy: -116.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1355.061674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.061674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.061674 (E_RNA) where: Base-Base interactions energy: -878.476 where: short stacking energy: -405.910 Base-Backbone interact. energy: -0.910 local terms energy: -475.676193 where: bonds (distance) C4'-P energy: -99.036 bonds (distance) P-C4' energy: -99.377 flat angles C4'-P-C4' energy: -96.262 flat angles P-C4'-P energy: -74.750 tors. eta vs tors. theta energy: -106.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1235.405303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.405303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.405303 (E_RNA) where: Base-Base interactions energy: -809.029 where: short stacking energy: -333.589 Base-Backbone interact. energy: -4.252 local terms energy: -422.123821 where: bonds (distance) C4'-P energy: -81.118 bonds (distance) P-C4' energy: -97.603 flat angles C4'-P-C4' energy: -101.598 flat angles P-C4'-P energy: -53.379 tors. eta vs tors. theta energy: -88.425 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: 6 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1078.909913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.909913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.909913 (E_RNA) where: Base-Base interactions energy: -682.603 where: short stacking energy: -319.129 Base-Backbone interact. energy: -5.133 local terms energy: -391.173704 where: bonds (distance) C4'-P energy: -78.817 bonds (distance) P-C4' energy: -101.971 flat angles C4'-P-C4' energy: -96.049 flat angles P-C4'-P energy: -50.276 tors. eta vs tors. theta energy: -64.060 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: 6, replica: 5 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1113.147268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.147268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.147268 (E_RNA) where: Base-Base interactions energy: -705.940 where: short stacking energy: -331.831 Base-Backbone interact. energy: -0.159 local terms energy: -407.048818 where: bonds (distance) C4'-P energy: -94.175 bonds (distance) P-C4' energy: -91.596 flat angles C4'-P-C4' energy: -94.107 flat angles P-C4'-P energy: -55.682 tors. eta vs tors. theta energy: -71.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -888.904638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.904638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.904638 (E_RNA) where: Base-Base interactions energy: -528.545 where: short stacking energy: -252.715 Base-Backbone interact. energy: -2.808 local terms energy: -357.551932 where: bonds (distance) C4'-P energy: -87.338 bonds (distance) P-C4' energy: -90.394 flat angles C4'-P-C4' energy: -78.348 flat angles P-C4'-P energy: -61.042 tors. eta vs tors. theta energy: -40.430 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: 8, replica: 10 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -679.263921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.263921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.263921 (E_RNA) where: Base-Base interactions energy: -364.346 where: short stacking energy: -195.347 Base-Backbone interact. energy: -1.610 local terms energy: -313.307754 where: bonds (distance) C4'-P energy: -79.383 bonds (distance) P-C4' energy: -94.385 flat angles C4'-P-C4' energy: -71.709 flat angles P-C4'-P energy: -40.120 tors. eta vs tors. theta energy: -27.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -481.656965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.656965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.656965 (E_RNA) where: Base-Base interactions energy: -219.938 where: short stacking energy: -137.085 Base-Backbone interact. energy: -0.536 local terms energy: -261.182981 where: bonds (distance) C4'-P energy: -74.183 bonds (distance) P-C4' energy: -78.342 flat angles C4'-P-C4' energy: -67.713 flat angles P-C4'-P energy: -43.304 tors. eta vs tors. theta energy: 2.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -367.587664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.587664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.587664 (E_RNA) where: Base-Base interactions energy: -132.766 where: short stacking energy: -113.370 Base-Backbone interact. energy: 0.309 local terms energy: -235.130293 where: bonds (distance) C4'-P energy: -82.430 bonds (distance) P-C4' energy: -81.139 flat angles C4'-P-C4' energy: -55.628 flat angles P-C4'-P energy: -37.075 tors. eta vs tors. theta energy: 21.141 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: 1, replica: 7 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1524.975588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.975588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.975588 (E_RNA) where: Base-Base interactions energy: -1038.368 where: short stacking energy: -430.564 Base-Backbone interact. energy: -0.863 local terms energy: -485.745207 where: bonds (distance) C4'-P energy: -94.468 bonds (distance) P-C4' energy: -104.678 flat angles C4'-P-C4' energy: -103.935 flat angles P-C4'-P energy: -66.883 tors. eta vs tors. theta energy: -115.782 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: 2, replica: 2 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1504.401042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.401042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.401042 (E_RNA) where: Base-Base interactions energy: -1019.574 where: short stacking energy: -437.905 Base-Backbone interact. energy: -0.371 local terms energy: -484.456030 where: bonds (distance) C4'-P energy: -97.483 bonds (distance) P-C4' energy: -97.736 flat angles C4'-P-C4' energy: -115.073 flat angles P-C4'-P energy: -59.228 tors. eta vs tors. theta energy: -114.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1381.376177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.376177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.376177 (E_RNA) where: Base-Base interactions energy: -917.415 where: short stacking energy: -424.912 Base-Backbone interact. energy: 2.886 local terms energy: -466.847041 where: bonds (distance) C4'-P energy: -91.565 bonds (distance) P-C4' energy: -94.052 flat angles C4'-P-C4' energy: -93.460 flat angles P-C4'-P energy: -71.524 tors. eta vs tors. theta energy: -116.246 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: 4 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1251.203045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.203045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.203045 (E_RNA) where: Base-Base interactions energy: -830.828 where: short stacking energy: -364.457 Base-Backbone interact. energy: -0.403 local terms energy: -419.972016 where: bonds (distance) C4'-P energy: -81.737 bonds (distance) P-C4' energy: -89.169 flat angles C4'-P-C4' energy: -84.595 flat angles P-C4'-P energy: -68.452 tors. eta vs tors. theta energy: -96.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1086.587342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.587342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.587342 (E_RNA) where: Base-Base interactions energy: -688.117 where: short stacking energy: -311.105 Base-Backbone interact. energy: -2.506 local terms energy: -395.964574 where: bonds (distance) C4'-P energy: -90.635 bonds (distance) P-C4' energy: -77.320 flat angles C4'-P-C4' energy: -94.255 flat angles P-C4'-P energy: -63.260 tors. eta vs tors. theta energy: -70.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1004.072190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.072190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.072190 (E_RNA) where: Base-Base interactions energy: -616.467 where: short stacking energy: -270.710 Base-Backbone interact. energy: 0.392 local terms energy: -387.997218 where: bonds (distance) C4'-P energy: -87.807 bonds (distance) P-C4' energy: -92.654 flat angles C4'-P-C4' energy: -84.165 flat angles P-C4'-P energy: -56.711 tors. eta vs tors. theta energy: -66.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -925.295167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.295167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.295167 (E_RNA) where: Base-Base interactions energy: -588.881 where: short stacking energy: -294.255 Base-Backbone interact. energy: 0.042 local terms energy: -336.456639 where: bonds (distance) C4'-P energy: -67.275 bonds (distance) P-C4' energy: -89.353 flat angles C4'-P-C4' energy: -75.527 flat angles P-C4'-P energy: -39.545 tors. eta vs tors. theta energy: -64.756 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: 8, replica: 10 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -742.358699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.358699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.358699 (E_RNA) where: Base-Base interactions energy: -422.999 where: short stacking energy: -212.431 Base-Backbone interact. energy: 3.507 local terms energy: -322.866451 where: bonds (distance) C4'-P energy: -80.469 bonds (distance) P-C4' energy: -75.723 flat angles C4'-P-C4' energy: -83.885 flat angles P-C4'-P energy: -43.838 tors. eta vs tors. theta energy: -38.953 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: 9 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -395.940733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.940733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.940733 (E_RNA) where: Base-Base interactions energy: -127.744 where: short stacking energy: -93.076 Base-Backbone interact. energy: 1.312 local terms energy: -269.508244 where: bonds (distance) C4'-P energy: -76.757 bonds (distance) P-C4' energy: -77.197 flat angles C4'-P-C4' energy: -79.429 flat angles P-C4'-P energy: -48.927 tors. eta vs tors. theta energy: 12.802 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: 8 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -467.300167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.300167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.300167 (E_RNA) where: Base-Base interactions energy: -220.626 where: short stacking energy: -133.560 Base-Backbone interact. energy: -1.794 local terms energy: -244.880179 where: bonds (distance) C4'-P energy: -65.507 bonds (distance) P-C4' energy: -83.623 flat angles C4'-P-C4' energy: -62.760 flat angles P-C4'-P energy: -37.563 tors. eta vs tors. theta energy: 4.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1520.851254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.851254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.851254 (E_RNA) where: Base-Base interactions energy: -1024.404 where: short stacking energy: -436.445 Base-Backbone interact. energy: -1.345 local terms energy: -495.102686 where: bonds (distance) C4'-P energy: -93.857 bonds (distance) P-C4' energy: -99.256 flat angles C4'-P-C4' energy: -100.363 flat angles P-C4'-P energy: -71.654 tors. eta vs tors. theta energy: -129.973 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: 2, replica: 2 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1514.069636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.069636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.069636 (E_RNA) where: Base-Base interactions energy: -1004.175 where: short stacking energy: -456.289 Base-Backbone interact. energy: -1.167 local terms energy: -508.727833 where: bonds (distance) C4'-P energy: -89.314 bonds (distance) P-C4' energy: -105.283 flat angles C4'-P-C4' energy: -114.066 flat angles P-C4'-P energy: -60.010 tors. eta vs tors. theta energy: -140.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1352.920567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.920567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.920567 (E_RNA) where: Base-Base interactions energy: -890.936 where: short stacking energy: -417.883 Base-Backbone interact. energy: -0.419 local terms energy: -461.565333 where: bonds (distance) C4'-P energy: -93.623 bonds (distance) P-C4' energy: -90.509 flat angles C4'-P-C4' energy: -96.339 flat angles P-C4'-P energy: -59.347 tors. eta vs tors. theta energy: -121.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1298.366099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.366099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.366099 (E_RNA) where: Base-Base interactions energy: -882.458 where: short stacking energy: -387.689 Base-Backbone interact. energy: -0.693 local terms energy: -415.215289 where: bonds (distance) C4'-P energy: -81.539 bonds (distance) P-C4' energy: -89.224 flat angles C4'-P-C4' energy: -95.486 flat angles P-C4'-P energy: -47.768 tors. eta vs tors. theta energy: -101.199 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: 6 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1126.959735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.959735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.959735 (E_RNA) where: Base-Base interactions energy: -701.621 where: short stacking energy: -319.710 Base-Backbone interact. energy: -1.631 local terms energy: -423.707204 where: bonds (distance) C4'-P energy: -92.697 bonds (distance) P-C4' energy: -85.757 flat angles C4'-P-C4' energy: -97.492 flat angles P-C4'-P energy: -65.904 tors. eta vs tors. theta energy: -81.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1037.097590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.097590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.097590 (E_RNA) where: Base-Base interactions energy: -650.653 where: short stacking energy: -298.924 Base-Backbone interact. energy: 0.676 local terms energy: -387.120632 where: bonds (distance) C4'-P energy: -85.544 bonds (distance) P-C4' energy: -87.775 flat angles C4'-P-C4' energy: -81.957 flat angles P-C4'-P energy: -61.391 tors. eta vs tors. theta energy: -70.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -907.699516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.699516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.699516 (E_RNA) where: Base-Base interactions energy: -543.399 where: short stacking energy: -251.785 Base-Backbone interact. energy: -1.289 local terms energy: -363.011718 where: bonds (distance) C4'-P energy: -82.348 bonds (distance) P-C4' energy: -92.384 flat angles C4'-P-C4' energy: -85.452 flat angles P-C4'-P energy: -48.595 tors. eta vs tors. theta energy: -54.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -782.291164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.291164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.291164 (E_RNA) where: Base-Base interactions energy: -448.675 where: short stacking energy: -231.961 Base-Backbone interact. energy: -1.622 local terms energy: -331.994747 where: bonds (distance) C4'-P energy: -78.419 bonds (distance) P-C4' energy: -88.724 flat angles C4'-P-C4' energy: -69.281 flat angles P-C4'-P energy: -55.566 tors. eta vs tors. theta energy: -40.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -396.671407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.671407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.671407 (E_RNA) where: Base-Base interactions energy: -129.503 where: short stacking energy: -98.780 Base-Backbone interact. energy: -1.216 local terms energy: -265.952153 where: bonds (distance) C4'-P energy: -76.729 bonds (distance) P-C4' energy: -92.524 flat angles C4'-P-C4' energy: -69.186 flat angles P-C4'-P energy: -44.159 tors. eta vs tors. theta energy: 16.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -414.572784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.572784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.572784 (E_RNA) where: Base-Base interactions energy: -191.037 where: short stacking energy: -131.006 Base-Backbone interact. energy: 0.552 local terms energy: -224.087936 where: bonds (distance) C4'-P energy: -75.644 bonds (distance) P-C4' energy: -72.760 flat angles C4'-P-C4' energy: -66.391 flat angles P-C4'-P energy: -25.861 tors. eta vs tors. theta energy: 16.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1561.528236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.528236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.528236 (E_RNA) where: Base-Base interactions energy: -1067.167 where: short stacking energy: -446.692 Base-Backbone interact. energy: -1.657 local terms energy: -492.704354 where: bonds (distance) C4'-P energy: -82.439 bonds (distance) P-C4' energy: -104.894 flat angles C4'-P-C4' energy: -115.003 flat angles P-C4'-P energy: -61.127 tors. eta vs tors. theta energy: -129.241 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: 7 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1503.484622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.484622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.484622 (E_RNA) where: Base-Base interactions energy: -1004.617 where: short stacking energy: -419.708 Base-Backbone interact. energy: -1.619 local terms energy: -497.248069 where: bonds (distance) C4'-P energy: -96.565 bonds (distance) P-C4' energy: -102.188 flat angles C4'-P-C4' energy: -100.820 flat angles P-C4'-P energy: -76.364 tors. eta vs tors. theta energy: -121.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1383.341574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.341574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.341574 (E_RNA) where: Base-Base interactions energy: -902.345 where: short stacking energy: -398.963 Base-Backbone interact. energy: -0.987 local terms energy: -480.009606 where: bonds (distance) C4'-P energy: -91.572 bonds (distance) P-C4' energy: -101.765 flat angles C4'-P-C4' energy: -103.099 flat angles P-C4'-P energy: -65.406 tors. eta vs tors. theta energy: -118.168 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: 4, replica: 4 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1326.560971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.560971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.560971 (E_RNA) where: Base-Base interactions energy: -875.376 where: short stacking energy: -363.076 Base-Backbone interact. energy: -3.886 local terms energy: -447.298564 where: bonds (distance) C4'-P energy: -93.704 bonds (distance) P-C4' energy: -95.256 flat angles C4'-P-C4' energy: -98.285 flat angles P-C4'-P energy: -50.597 tors. eta vs tors. theta energy: -109.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1124.136780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.136780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.136780 (E_RNA) where: Base-Base interactions energy: -705.316 where: short stacking energy: -317.583 Base-Backbone interact. energy: -0.339 local terms energy: -418.482099 where: bonds (distance) C4'-P energy: -89.170 bonds (distance) P-C4' energy: -90.256 flat angles C4'-P-C4' energy: -105.179 flat angles P-C4'-P energy: -60.528 tors. eta vs tors. theta energy: -73.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1073.525581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.525581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.525581 (E_RNA) where: Base-Base interactions energy: -663.227 where: short stacking energy: -299.236 Base-Backbone interact. energy: 1.995 local terms energy: -412.293992 where: bonds (distance) C4'-P energy: -85.070 bonds (distance) P-C4' energy: -98.996 flat angles C4'-P-C4' energy: -94.640 flat angles P-C4'-P energy: -65.441 tors. eta vs tors. theta energy: -68.147 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: 26 Temperature: 1.200000 Total energy: -936.631744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.631744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.631744 (E_RNA) where: Base-Base interactions energy: -594.016 where: short stacking energy: -254.441 Base-Backbone interact. energy: -2.252 local terms energy: -340.363894 where: bonds (distance) C4'-P energy: -81.380 bonds (distance) P-C4' energy: -77.665 flat angles C4'-P-C4' energy: -75.419 flat angles P-C4'-P energy: -51.846 tors. eta vs tors. theta energy: -54.054 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: 10 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -742.387978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.387978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.387978 (E_RNA) where: Base-Base interactions energy: -421.113 where: short stacking energy: -185.055 Base-Backbone interact. energy: -3.482 local terms energy: -317.792540 where: bonds (distance) C4'-P energy: -96.660 bonds (distance) P-C4' energy: -69.601 flat angles C4'-P-C4' energy: -90.523 flat angles P-C4'-P energy: -40.557 tors. eta vs tors. theta energy: -20.451 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: 8 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -473.491267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.491267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.491267 (E_RNA) where: Base-Base interactions energy: -193.596 where: short stacking energy: -120.033 Base-Backbone interact. energy: -0.925 local terms energy: -278.970504 where: bonds (distance) C4'-P energy: -76.285 bonds (distance) P-C4' energy: -94.708 flat angles C4'-P-C4' energy: -65.501 flat angles P-C4'-P energy: -53.376 tors. eta vs tors. theta energy: 10.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -383.172091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.172091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.172091 (E_RNA) where: Base-Base interactions energy: -149.066 where: short stacking energy: -110.674 Base-Backbone interact. energy: 2.204 local terms energy: -236.309975 where: bonds (distance) C4'-P energy: -80.604 bonds (distance) P-C4' energy: -75.027 flat angles C4'-P-C4' energy: -71.140 flat angles P-C4'-P energy: -21.607 tors. eta vs tors. theta energy: 12.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1566.845659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.845659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.845659 (E_RNA) where: Base-Base interactions energy: -1059.045 where: short stacking energy: -455.769 Base-Backbone interact. energy: -0.669 local terms energy: -507.132367 where: bonds (distance) C4'-P energy: -95.846 bonds (distance) P-C4' energy: -98.737 flat angles C4'-P-C4' energy: -111.657 flat angles P-C4'-P energy: -77.387 tors. eta vs tors. theta energy: -123.506 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: 7 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1501.430810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.430810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.430810 (E_RNA) where: Base-Base interactions energy: -1011.397 where: short stacking energy: -445.979 Base-Backbone interact. energy: -2.017 local terms energy: -488.017335 where: bonds (distance) C4'-P energy: -81.914 bonds (distance) P-C4' energy: -87.686 flat angles C4'-P-C4' energy: -115.192 flat angles P-C4'-P energy: -71.469 tors. eta vs tors. theta energy: -131.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1423.686705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.686705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.686705 (E_RNA) where: Base-Base interactions energy: -933.961 where: short stacking energy: -432.210 Base-Backbone interact. energy: -1.722 local terms energy: -488.003451 where: bonds (distance) C4'-P energy: -81.887 bonds (distance) P-C4' energy: -91.484 flat angles C4'-P-C4' energy: -110.848 flat angles P-C4'-P energy: -75.420 tors. eta vs tors. theta energy: -128.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1370.519131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.519131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.519131 (E_RNA) where: Base-Base interactions energy: -917.821 where: short stacking energy: -388.184 Base-Backbone interact. energy: 0.078 local terms energy: -452.776900 where: bonds (distance) C4'-P energy: -78.256 bonds (distance) P-C4' energy: -101.862 flat angles C4'-P-C4' energy: -109.072 flat angles P-C4'-P energy: -68.220 tors. eta vs tors. theta energy: -95.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1180.531741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.531741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.531741 (E_RNA) where: Base-Base interactions energy: -779.869 where: short stacking energy: -351.824 Base-Backbone interact. energy: -2.437 local terms energy: -398.225854 where: bonds (distance) C4'-P energy: -73.077 bonds (distance) P-C4' energy: -83.758 flat angles C4'-P-C4' energy: -91.669 flat angles P-C4'-P energy: -57.478 tors. eta vs tors. theta energy: -92.244 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: 5 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1060.303055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.303055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.303055 (E_RNA) where: Base-Base interactions energy: -670.505 where: short stacking energy: -305.013 Base-Backbone interact. energy: -0.453 local terms energy: -389.344521 where: bonds (distance) C4'-P energy: -79.142 bonds (distance) P-C4' energy: -98.132 flat angles C4'-P-C4' energy: -95.089 flat angles P-C4'-P energy: -57.127 tors. eta vs tors. theta energy: -59.855 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: 7, replica: 1 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -965.748089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.748089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.748089 (E_RNA) where: Base-Base interactions energy: -566.551 where: short stacking energy: -268.554 Base-Backbone interact. energy: 1.214 local terms energy: -400.411830 where: bonds (distance) C4'-P energy: -94.998 bonds (distance) P-C4' energy: -94.381 flat angles C4'-P-C4' energy: -93.655 flat angles P-C4'-P energy: -63.909 tors. eta vs tors. theta energy: -53.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -718.355992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.355992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.355992 (E_RNA) where: Base-Base interactions energy: -428.544 where: short stacking energy: -196.510 Base-Backbone interact. energy: 3.489 local terms energy: -293.301209 where: bonds (distance) C4'-P energy: -76.164 bonds (distance) P-C4' energy: -86.981 flat angles C4'-P-C4' energy: -73.545 flat angles P-C4'-P energy: -35.817 tors. eta vs tors. theta energy: -20.794 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: 9, replica: 8 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -442.190962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.190962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.190962 (E_RNA) where: Base-Base interactions energy: -174.869 where: short stacking energy: -123.819 Base-Backbone interact. energy: 0.102 local terms energy: -267.424401 where: bonds (distance) C4'-P energy: -69.744 bonds (distance) P-C4' energy: -96.961 flat angles C4'-P-C4' energy: -75.361 flat angles P-C4'-P energy: -29.423 tors. eta vs tors. theta energy: 4.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -368.939166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.939166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.939166 (E_RNA) where: Base-Base interactions energy: -127.473 where: short stacking energy: -105.686 Base-Backbone interact. energy: 2.393 local terms energy: -243.859153 where: bonds (distance) C4'-P energy: -77.814 bonds (distance) P-C4' energy: -74.237 flat angles C4'-P-C4' energy: -59.341 flat angles P-C4'-P energy: -45.766 tors. eta vs tors. theta energy: 13.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1577.277046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.277046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.277046 (E_RNA) where: Base-Base interactions energy: -1087.164 where: short stacking energy: -449.063 Base-Backbone interact. energy: -0.569 local terms energy: -489.544217 where: bonds (distance) C4'-P energy: -91.578 bonds (distance) P-C4' energy: -97.833 flat angles C4'-P-C4' energy: -100.666 flat angles P-C4'-P energy: -71.808 tors. eta vs tors. theta energy: -127.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1499.300122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.300122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.300122 (E_RNA) where: Base-Base interactions energy: -1016.719 where: short stacking energy: -432.238 Base-Backbone interact. energy: -1.067 local terms energy: -481.513628 where: bonds (distance) C4'-P energy: -78.481 bonds (distance) P-C4' energy: -100.220 flat angles C4'-P-C4' energy: -108.817 flat angles P-C4'-P energy: -67.093 tors. eta vs tors. theta energy: -126.902 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: 3 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1425.176641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.176641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.176641 (E_RNA) where: Base-Base interactions energy: -943.477 where: short stacking energy: -426.507 Base-Backbone interact. energy: -2.357 local terms energy: -479.342825 where: bonds (distance) C4'-P energy: -78.091 bonds (distance) P-C4' energy: -105.229 flat angles C4'-P-C4' energy: -100.223 flat angles P-C4'-P energy: -67.869 tors. eta vs tors. theta energy: -127.931 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: 4, replica: 4 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1387.712380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.712380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.712380 (E_RNA) where: Base-Base interactions energy: -956.427 where: short stacking energy: -397.207 Base-Backbone interact. energy: -1.101 local terms energy: -430.184551 where: bonds (distance) C4'-P energy: -83.761 bonds (distance) P-C4' energy: -74.618 flat angles C4'-P-C4' energy: -102.345 flat angles P-C4'-P energy: -60.524 tors. eta vs tors. theta energy: -108.937 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: 6 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1234.853911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.853911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.853911 (E_RNA) where: Base-Base interactions energy: -816.485 where: short stacking energy: -360.482 Base-Backbone interact. energy: -1.530 local terms energy: -416.838381 where: bonds (distance) C4'-P energy: -78.899 bonds (distance) P-C4' energy: -77.274 flat angles C4'-P-C4' energy: -89.460 flat angles P-C4'-P energy: -68.671 tors. eta vs tors. theta energy: -102.534 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: 6, replica: 5 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1049.838774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.838774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.838774 (E_RNA) where: Base-Base interactions energy: -685.611 where: short stacking energy: -296.763 Base-Backbone interact. energy: 0.532 local terms energy: -364.760275 where: bonds (distance) C4'-P energy: -73.762 bonds (distance) P-C4' energy: -90.606 flat angles C4'-P-C4' energy: -83.547 flat angles P-C4'-P energy: -57.514 tors. eta vs tors. theta energy: -59.331 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: 1 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -968.390891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.390891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.390891 (E_RNA) where: Base-Base interactions energy: -585.071 where: short stacking energy: -281.612 Base-Backbone interact. energy: -1.019 local terms energy: -382.301696 where: bonds (distance) C4'-P energy: -90.926 bonds (distance) P-C4' energy: -82.327 flat angles C4'-P-C4' energy: -93.689 flat angles P-C4'-P energy: -51.465 tors. eta vs tors. theta energy: -63.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -760.239741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.239741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.239741 (E_RNA) where: Base-Base interactions energy: -472.784 where: short stacking energy: -247.624 Base-Backbone interact. energy: 3.452 local terms energy: -290.906946 where: bonds (distance) C4'-P energy: -69.694 bonds (distance) P-C4' energy: -86.949 flat angles C4'-P-C4' energy: -68.358 flat angles P-C4'-P energy: -46.305 tors. eta vs tors. theta energy: -19.600 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: 9, replica: 8 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -408.035973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.035973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.035973 (E_RNA) where: Base-Base interactions energy: -139.383 where: short stacking energy: -114.920 Base-Backbone interact. energy: -0.289 local terms energy: -268.364223 where: bonds (distance) C4'-P energy: -84.711 bonds (distance) P-C4' energy: -87.487 flat angles C4'-P-C4' energy: -74.205 flat angles P-C4'-P energy: -42.333 tors. eta vs tors. theta energy: 20.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -369.372987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.372987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.372987 (E_RNA) where: Base-Base interactions energy: -126.367 where: short stacking energy: -99.648 Base-Backbone interact. energy: 1.926 local terms energy: -244.932880 where: bonds (distance) C4'-P energy: -87.248 bonds (distance) P-C4' energy: -70.363 flat angles C4'-P-C4' energy: -65.852 flat angles P-C4'-P energy: -31.508 tors. eta vs tors. theta energy: 10.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1586.464585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.464585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.464585 (E_RNA) where: Base-Base interactions energy: -1077.559 where: short stacking energy: -444.395 Base-Backbone interact. energy: -2.691 local terms energy: -506.214089 where: bonds (distance) C4'-P energy: -108.687 bonds (distance) P-C4' energy: -103.156 flat angles C4'-P-C4' energy: -105.907 flat angles P-C4'-P energy: -63.887 tors. eta vs tors. theta energy: -124.578 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: 7 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1528.669378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.669378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.669378 (E_RNA) where: Base-Base interactions energy: -1026.404 where: short stacking energy: -443.565 Base-Backbone interact. energy: -2.606 local terms energy: -499.658744 where: bonds (distance) C4'-P energy: -96.052 bonds (distance) P-C4' energy: -94.412 flat angles C4'-P-C4' energy: -104.025 flat angles P-C4'-P energy: -82.117 tors. eta vs tors. theta energy: -123.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1462.103976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.103976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.103976 (E_RNA) where: Base-Base interactions energy: -981.242 where: short stacking energy: -424.877 Base-Backbone interact. energy: -1.762 local terms energy: -479.099754 where: bonds (distance) C4'-P energy: -93.697 bonds (distance) P-C4' energy: -100.300 flat angles C4'-P-C4' energy: -89.984 flat angles P-C4'-P energy: -68.990 tors. eta vs tors. theta energy: -126.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1369.098139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.098139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.098139 (E_RNA) where: Base-Base interactions energy: -919.054 where: short stacking energy: -396.134 Base-Backbone interact. energy: 1.662 local terms energy: -451.705735 where: bonds (distance) C4'-P energy: -81.720 bonds (distance) P-C4' energy: -98.099 flat angles C4'-P-C4' energy: -92.848 flat angles P-C4'-P energy: -70.840 tors. eta vs tors. theta energy: -108.199 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: 6 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1262.148817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.148817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.148817 (E_RNA) where: Base-Base interactions energy: -827.733 where: short stacking energy: -349.606 Base-Backbone interact. energy: 0.376 local terms energy: -434.791594 where: bonds (distance) C4'-P energy: -90.961 bonds (distance) P-C4' energy: -101.211 flat angles C4'-P-C4' energy: -90.721 flat angles P-C4'-P energy: -58.017 tors. eta vs tors. theta energy: -93.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1105.783957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.783957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.783957 (E_RNA) where: Base-Base interactions energy: -715.040 where: short stacking energy: -317.177 Base-Backbone interact. energy: 0.002 local terms energy: -390.745736 where: bonds (distance) C4'-P energy: -95.362 bonds (distance) P-C4' energy: -67.071 flat angles C4'-P-C4' energy: -86.811 flat angles P-C4'-P energy: -63.249 tors. eta vs tors. theta energy: -78.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1040.973404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.973404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.973404 (E_RNA) where: Base-Base interactions energy: -668.665 where: short stacking energy: -285.410 Base-Backbone interact. energy: -2.417 local terms energy: -369.892017 where: bonds (distance) C4'-P energy: -73.756 bonds (distance) P-C4' energy: -95.131 flat angles C4'-P-C4' energy: -82.022 flat angles P-C4'-P energy: -58.090 tors. eta vs tors. theta energy: -60.893 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: 8, replica: 10 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -786.229477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.229477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.229477 (E_RNA) where: Base-Base interactions energy: -449.525 where: short stacking energy: -217.741 Base-Backbone interact. energy: 5.755 local terms energy: -342.459385 where: bonds (distance) C4'-P energy: -80.517 bonds (distance) P-C4' energy: -85.795 flat angles C4'-P-C4' energy: -78.508 flat angles P-C4'-P energy: -50.793 tors. eta vs tors. theta energy: -46.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -401.991464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.991464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.991464 (E_RNA) where: Base-Base interactions energy: -165.684 where: short stacking energy: -105.854 Base-Backbone interact. energy: 3.076 local terms energy: -239.383627 where: bonds (distance) C4'-P energy: -67.067 bonds (distance) P-C4' energy: -91.056 flat angles C4'-P-C4' energy: -59.410 flat angles P-C4'-P energy: -32.012 tors. eta vs tors. theta energy: 10.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -350.795256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.795256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.795256 (E_RNA) where: Base-Base interactions energy: -121.216 where: short stacking energy: -109.593 Base-Backbone interact. energy: 1.994 local terms energy: -231.573134 where: bonds (distance) C4'-P energy: -82.111 bonds (distance) P-C4' energy: -83.048 flat angles C4'-P-C4' energy: -49.078 flat angles P-C4'-P energy: -36.341 tors. eta vs tors. theta energy: 19.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1601.350825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.350825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.350825 (E_RNA) where: Base-Base interactions energy: -1080.329 where: short stacking energy: -457.221 Base-Backbone interact. energy: -1.450 local terms energy: -519.572052 where: bonds (distance) C4'-P energy: -102.310 bonds (distance) P-C4' energy: -98.566 flat angles C4'-P-C4' energy: -118.216 flat angles P-C4'-P energy: -63.196 tors. eta vs tors. theta energy: -137.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1504.687366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.687366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.687366 (E_RNA) where: Base-Base interactions energy: -1029.465 where: short stacking energy: -404.000 Base-Backbone interact. energy: -1.615 local terms energy: -473.606864 where: bonds (distance) C4'-P energy: -90.698 bonds (distance) P-C4' energy: -84.277 flat angles C4'-P-C4' energy: -104.659 flat angles P-C4'-P energy: -67.864 tors. eta vs tors. theta energy: -126.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1461.744338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.744338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.744338 (E_RNA) where: Base-Base interactions energy: -1027.822 where: short stacking energy: -419.857 Base-Backbone interact. energy: -1.151 local terms energy: -432.771322 where: bonds (distance) C4'-P energy: -76.207 bonds (distance) P-C4' energy: -79.771 flat angles C4'-P-C4' energy: -100.606 flat angles P-C4'-P energy: -51.195 tors. eta vs tors. theta energy: -124.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1376.847319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.847319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.847319 (E_RNA) where: Base-Base interactions energy: -913.474 where: short stacking energy: -384.594 Base-Backbone interact. energy: 2.562 local terms energy: -465.935031 where: bonds (distance) C4'-P energy: -92.855 bonds (distance) P-C4' energy: -85.426 flat angles C4'-P-C4' energy: -97.426 flat angles P-C4'-P energy: -66.135 tors. eta vs tors. theta energy: -124.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1235.992383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.992383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.992383 (E_RNA) where: Base-Base interactions energy: -806.006 where: short stacking energy: -344.084 Base-Backbone interact. energy: -1.231 local terms energy: -428.754853 where: bonds (distance) C4'-P energy: -79.446 bonds (distance) P-C4' energy: -98.281 flat angles C4'-P-C4' energy: -99.147 flat angles P-C4'-P energy: -61.127 tors. eta vs tors. theta energy: -90.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1158.066381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.066381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.066381 (E_RNA) where: Base-Base interactions energy: -772.441 where: short stacking energy: -338.751 Base-Backbone interact. energy: -1.632 local terms energy: -383.993399 where: bonds (distance) C4'-P energy: -73.379 bonds (distance) P-C4' energy: -79.490 flat angles C4'-P-C4' energy: -101.810 flat angles P-C4'-P energy: -57.028 tors. eta vs tors. theta energy: -72.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1052.747895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.747895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.747895 (E_RNA) where: Base-Base interactions energy: -677.960 where: short stacking energy: -292.623 Base-Backbone interact. energy: -0.639 local terms energy: -374.148171 where: bonds (distance) C4'-P energy: -90.967 bonds (distance) P-C4' energy: -65.419 flat angles C4'-P-C4' energy: -95.162 flat angles P-C4'-P energy: -50.221 tors. eta vs tors. theta energy: -72.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -787.325849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.325849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.325849 (E_RNA) where: Base-Base interactions energy: -476.580 where: short stacking energy: -238.508 Base-Backbone interact. energy: 0.046 local terms energy: -310.790896 where: bonds (distance) C4'-P energy: -69.227 bonds (distance) P-C4' energy: -79.670 flat angles C4'-P-C4' energy: -66.922 flat angles P-C4'-P energy: -64.267 tors. eta vs tors. theta energy: -30.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -436.599199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.599199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.599199 (E_RNA) where: Base-Base interactions energy: -161.506 where: short stacking energy: -152.217 Base-Backbone interact. energy: -1.164 local terms energy: -273.929496 where: bonds (distance) C4'-P energy: -69.505 bonds (distance) P-C4' energy: -85.665 flat angles C4'-P-C4' energy: -73.122 flat angles P-C4'-P energy: -51.827 tors. eta vs tors. theta energy: 6.190 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: 10, replica: 8 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -384.932401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.932401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.932401 (E_RNA) where: Base-Base interactions energy: -122.018 where: short stacking energy: -106.815 Base-Backbone interact. energy: 2.620 local terms energy: -265.534600 where: bonds (distance) C4'-P energy: -89.140 bonds (distance) P-C4' energy: -78.166 flat angles C4'-P-C4' energy: -78.270 flat angles P-C4'-P energy: -28.496 tors. eta vs tors. theta energy: 8.537 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: 31 Temperature: 0.900000 Total energy: -1614.100595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.100595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.100595 (E_RNA) where: Base-Base interactions energy: -1099.993 where: short stacking energy: -466.184 Base-Backbone interact. energy: 1.329 local terms energy: -515.436469 where: bonds (distance) C4'-P energy: -94.127 bonds (distance) P-C4' energy: -111.358 flat angles C4'-P-C4' energy: -109.660 flat angles P-C4'-P energy: -70.483 tors. eta vs tors. theta energy: -129.809 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: 7 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1496.105938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.105938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.105938 (E_RNA) where: Base-Base interactions energy: -1015.819 where: short stacking energy: -420.713 Base-Backbone interact. energy: -0.556 local terms energy: -479.731002 where: bonds (distance) C4'-P energy: -85.354 bonds (distance) P-C4' energy: -100.038 flat angles C4'-P-C4' energy: -104.991 flat angles P-C4'-P energy: -79.383 tors. eta vs tors. theta energy: -109.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1478.483825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.483825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.483825 (E_RNA) where: Base-Base interactions energy: -1005.900 where: short stacking energy: -408.995 Base-Backbone interact. energy: -2.197 local terms energy: -470.386547 where: bonds (distance) C4'-P energy: -90.875 bonds (distance) P-C4' energy: -90.579 flat angles C4'-P-C4' energy: -112.981 flat angles P-C4'-P energy: -56.724 tors. eta vs tors. theta energy: -119.227 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: 4 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1460.844108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.844108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.844108 (E_RNA) where: Base-Base interactions energy: -989.008 where: short stacking energy: -421.309 Base-Backbone interact. energy: -0.539 local terms energy: -471.296836 where: bonds (distance) C4'-P energy: -100.299 bonds (distance) P-C4' energy: -95.063 flat angles C4'-P-C4' energy: -95.238 flat angles P-C4'-P energy: -63.754 tors. eta vs tors. theta energy: -116.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1280.607240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.607240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.607240 (E_RNA) where: Base-Base interactions energy: -888.486 where: short stacking energy: -356.334 Base-Backbone interact. energy: 1.505 local terms energy: -393.625762 where: bonds (distance) C4'-P energy: -88.807 bonds (distance) P-C4' energy: -77.006 flat angles C4'-P-C4' energy: -85.769 flat angles P-C4'-P energy: -50.541 tors. eta vs tors. theta energy: -91.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1111.726204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.726204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.726204 (E_RNA) where: Base-Base interactions energy: -709.649 where: short stacking energy: -337.086 Base-Backbone interact. energy: -0.220 local terms energy: -401.857415 where: bonds (distance) C4'-P energy: -90.276 bonds (distance) P-C4' energy: -72.781 flat angles C4'-P-C4' energy: -92.859 flat angles P-C4'-P energy: -57.130 tors. eta vs tors. theta energy: -88.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1184.826768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.826768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.826768 (E_RNA) where: Base-Base interactions energy: -770.561 where: short stacking energy: -339.388 Base-Backbone interact. energy: -3.074 local terms energy: -411.192236 where: bonds (distance) C4'-P energy: -82.617 bonds (distance) P-C4' energy: -82.897 flat angles C4'-P-C4' energy: -95.457 flat angles P-C4'-P energy: -66.399 tors. eta vs tors. theta energy: -83.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -773.803465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.803465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.803465 (E_RNA) where: Base-Base interactions energy: -456.446 where: short stacking energy: -221.086 Base-Backbone interact. energy: -1.549 local terms energy: -315.808297 where: bonds (distance) C4'-P energy: -78.383 bonds (distance) P-C4' energy: -74.441 flat angles C4'-P-C4' energy: -82.870 flat angles P-C4'-P energy: -49.844 tors. eta vs tors. theta energy: -30.271 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: 9 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -375.955372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.955372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.955372 (E_RNA) where: Base-Base interactions energy: -104.002 where: short stacking energy: -104.305 Base-Backbone interact. energy: -0.219 local terms energy: -271.734580 where: bonds (distance) C4'-P energy: -85.393 bonds (distance) P-C4' energy: -84.783 flat angles C4'-P-C4' energy: -81.123 flat angles P-C4'-P energy: -36.358 tors. eta vs tors. theta energy: 15.921 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: 8 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -397.278885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.278885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.278885 (E_RNA) where: Base-Base interactions energy: -141.955 where: short stacking energy: -103.865 Base-Backbone interact. energy: 4.256 local terms energy: -259.580384 where: bonds (distance) C4'-P energy: -69.363 bonds (distance) P-C4' energy: -83.207 flat angles C4'-P-C4' energy: -73.342 flat angles P-C4'-P energy: -46.711 tors. eta vs tors. theta energy: 13.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1616.524041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.524041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.524041 (E_RNA) where: Base-Base interactions energy: -1096.114 where: short stacking energy: -451.310 Base-Backbone interact. energy: 0.402 local terms energy: -520.811616 where: bonds (distance) C4'-P energy: -91.884 bonds (distance) P-C4' energy: -100.865 flat angles C4'-P-C4' energy: -113.094 flat angles P-C4'-P energy: -76.069 tors. eta vs tors. theta energy: -138.900 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: 2, replica: 7 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1473.100462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.100462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.100462 (E_RNA) where: Base-Base interactions energy: -1010.091 where: short stacking energy: -427.577 Base-Backbone interact. energy: -4.012 local terms energy: -458.997148 where: bonds (distance) C4'-P energy: -75.776 bonds (distance) P-C4' energy: -85.051 flat angles C4'-P-C4' energy: -110.565 flat angles P-C4'-P energy: -74.279 tors. eta vs tors. theta energy: -113.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1493.243959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.243959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.243959 (E_RNA) where: Base-Base interactions energy: -1031.151 where: short stacking energy: -443.868 Base-Backbone interact. energy: -1.872 local terms energy: -460.220813 where: bonds (distance) C4'-P energy: -84.616 bonds (distance) P-C4' energy: -91.278 flat angles C4'-P-C4' energy: -96.390 flat angles P-C4'-P energy: -56.158 tors. eta vs tors. theta energy: -131.779 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: 4, replica: 3 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1413.351484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.351484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.351484 (E_RNA) where: Base-Base interactions energy: -943.397 where: short stacking energy: -404.168 Base-Backbone interact. energy: -4.109 local terms energy: -465.845836 where: bonds (distance) C4'-P energy: -88.675 bonds (distance) P-C4' energy: -92.808 flat angles C4'-P-C4' energy: -102.425 flat angles P-C4'-P energy: -65.817 tors. eta vs tors. theta energy: -116.121 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: 5, replica: 6 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1377.634864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.634864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.634864 (E_RNA) where: Base-Base interactions energy: -935.292 where: short stacking energy: -380.758 Base-Backbone interact. energy: 0.307 local terms energy: -442.649323 where: bonds (distance) C4'-P energy: -86.370 bonds (distance) P-C4' energy: -80.634 flat angles C4'-P-C4' energy: -101.446 flat angles P-C4'-P energy: -66.600 tors. eta vs tors. theta energy: -107.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1133.820781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.820781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.820781 (E_RNA) where: Base-Base interactions energy: -720.220 where: short stacking energy: -364.098 Base-Backbone interact. energy: -1.537 local terms energy: -412.064110 where: bonds (distance) C4'-P energy: -85.808 bonds (distance) P-C4' energy: -79.999 flat angles C4'-P-C4' energy: -87.656 flat angles P-C4'-P energy: -59.760 tors. eta vs tors. theta energy: -98.842 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: 1 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1198.520821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.520821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.520821 (E_RNA) where: Base-Base interactions energy: -789.349 where: short stacking energy: -325.555 Base-Backbone interact. energy: -1.233 local terms energy: -407.938849 where: bonds (distance) C4'-P energy: -87.256 bonds (distance) P-C4' energy: -86.282 flat angles C4'-P-C4' energy: -88.246 flat angles P-C4'-P energy: -58.274 tors. eta vs tors. theta energy: -87.880 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: 8, replica: 10 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -745.507848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.507848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.507848 (E_RNA) where: Base-Base interactions energy: -414.815 where: short stacking energy: -215.816 Base-Backbone interact. energy: -1.146 local terms energy: -329.546187 where: bonds (distance) C4'-P energy: -83.074 bonds (distance) P-C4' energy: -79.329 flat angles C4'-P-C4' energy: -80.527 flat angles P-C4'-P energy: -52.845 tors. eta vs tors. theta energy: -33.771 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: 9 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -447.212382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.212382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.212382 (E_RNA) where: Base-Base interactions energy: -159.769 where: short stacking energy: -130.940 Base-Backbone interact. energy: -2.555 local terms energy: -284.888540 where: bonds (distance) C4'-P energy: -75.303 bonds (distance) P-C4' energy: -92.140 flat angles C4'-P-C4' energy: -59.630 flat angles P-C4'-P energy: -56.867 tors. eta vs tors. theta energy: -0.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -423.571245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.571245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.571245 (E_RNA) where: Base-Base interactions energy: -173.971 where: short stacking energy: -119.192 Base-Backbone interact. energy: -0.276 local terms energy: -249.324131 where: bonds (distance) C4'-P energy: -61.737 bonds (distance) P-C4' energy: -79.000 flat angles C4'-P-C4' energy: -79.841 flat angles P-C4'-P energy: -33.651 tors. eta vs tors. theta energy: 4.906 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: 2 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1624.316869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.316869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.316869 (E_RNA) where: Base-Base interactions energy: -1109.083 where: short stacking energy: -468.594 Base-Backbone interact. energy: -2.045 local terms energy: -513.188643 where: bonds (distance) C4'-P energy: -102.981 bonds (distance) P-C4' energy: -96.640 flat angles C4'-P-C4' energy: -108.346 flat angles P-C4'-P energy: -67.796 tors. eta vs tors. theta energy: -137.425 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: 4 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1517.198146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.198146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.198146 (E_RNA) where: Base-Base interactions energy: -1063.010 where: short stacking energy: -412.551 Base-Backbone interact. energy: -0.437 local terms energy: -453.750837 where: bonds (distance) C4'-P energy: -94.341 bonds (distance) P-C4' energy: -87.531 flat angles C4'-P-C4' energy: -105.596 flat angles P-C4'-P energy: -57.730 tors. eta vs tors. theta energy: -108.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1427.784976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.784976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.784976 (E_RNA) where: Base-Base interactions energy: -967.515 where: short stacking energy: -410.733 Base-Backbone interact. energy: -7.665 local terms energy: -452.605697 where: bonds (distance) C4'-P energy: -93.840 bonds (distance) P-C4' energy: -92.550 flat angles C4'-P-C4' energy: -98.896 flat angles P-C4'-P energy: -62.470 tors. eta vs tors. theta energy: -104.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1468.371907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.371907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.371907 (E_RNA) where: Base-Base interactions energy: -1001.031 where: short stacking energy: -415.846 Base-Backbone interact. energy: -0.852 local terms energy: -466.488396 where: bonds (distance) C4'-P energy: -77.852 bonds (distance) P-C4' energy: -95.768 flat angles C4'-P-C4' energy: -105.104 flat angles P-C4'-P energy: -67.417 tors. eta vs tors. theta energy: -120.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1319.637156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.637156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.637156 (E_RNA) where: Base-Base interactions energy: -878.563 where: short stacking energy: -383.614 Base-Backbone interact. energy: -3.786 local terms energy: -437.288227 where: bonds (distance) C4'-P energy: -79.151 bonds (distance) P-C4' energy: -85.495 flat angles C4'-P-C4' energy: -97.312 flat angles P-C4'-P energy: -60.144 tors. eta vs tors. theta energy: -115.186 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: 1 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1305.375597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.375597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.375597 (E_RNA) where: Base-Base interactions energy: -857.996 where: short stacking energy: -363.457 Base-Backbone interact. energy: -0.202 local terms energy: -447.177654 where: bonds (distance) C4'-P energy: -93.253 bonds (distance) P-C4' energy: -94.793 flat angles C4'-P-C4' energy: -94.341 flat angles P-C4'-P energy: -64.482 tors. eta vs tors. theta energy: -100.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1093.533635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.533635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.533635 (E_RNA) where: Base-Base interactions energy: -726.903 where: short stacking energy: -325.974 Base-Backbone interact. energy: -0.068 local terms energy: -366.561944 where: bonds (distance) C4'-P energy: -74.314 bonds (distance) P-C4' energy: -74.965 flat angles C4'-P-C4' energy: -90.820 flat angles P-C4'-P energy: -50.822 tors. eta vs tors. theta energy: -75.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -754.835679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.835679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.835679 (E_RNA) where: Base-Base interactions energy: -408.256 where: short stacking energy: -198.362 Base-Backbone interact. energy: 0.408 local terms energy: -346.987577 where: bonds (distance) C4'-P energy: -91.991 bonds (distance) P-C4' energy: -81.840 flat angles C4'-P-C4' energy: -73.973 flat angles P-C4'-P energy: -56.160 tors. eta vs tors. theta energy: -43.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -474.947159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.947159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.947159 (E_RNA) where: Base-Base interactions energy: -199.908 where: short stacking energy: -137.553 Base-Backbone interact. energy: 6.895 local terms energy: -281.933532 where: bonds (distance) C4'-P energy: -63.554 bonds (distance) P-C4' energy: -92.532 flat angles C4'-P-C4' energy: -69.901 flat angles P-C4'-P energy: -55.507 tors. eta vs tors. theta energy: -0.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -421.652549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.652549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.652549 (E_RNA) where: Base-Base interactions energy: -190.185 where: short stacking energy: -125.427 Base-Backbone interact. energy: 5.541 local terms energy: -237.007876 where: bonds (distance) C4'-P energy: -71.822 bonds (distance) P-C4' energy: -77.105 flat angles C4'-P-C4' energy: -53.524 flat angles P-C4'-P energy: -55.271 tors. eta vs tors. theta energy: 20.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1638.716937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.716937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.716937 (E_RNA) where: Base-Base interactions energy: -1120.939 where: short stacking energy: -479.844 Base-Backbone interact. energy: -5.270 local terms energy: -512.507715 where: bonds (distance) C4'-P energy: -90.433 bonds (distance) P-C4' energy: -85.595 flat angles C4'-P-C4' energy: -114.189 flat angles P-C4'-P energy: -76.725 tors. eta vs tors. theta energy: -145.566 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: 4 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1568.064148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.064148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.064148 (E_RNA) where: Base-Base interactions energy: -1089.419 where: short stacking energy: -434.819 Base-Backbone interact. energy: -0.233 local terms energy: -478.412254 where: bonds (distance) C4'-P energy: -91.698 bonds (distance) P-C4' energy: -98.243 flat angles C4'-P-C4' energy: -94.276 flat angles P-C4'-P energy: -72.404 tors. eta vs tors. theta energy: -121.791 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: 6 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1561.940738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.940738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.940738 (E_RNA) where: Base-Base interactions energy: -1058.451 where: short stacking energy: -438.787 Base-Backbone interact. energy: -1.493 local terms energy: -501.996791 where: bonds (distance) C4'-P energy: -108.836 bonds (distance) P-C4' energy: -86.417 flat angles C4'-P-C4' energy: -109.954 flat angles P-C4'-P energy: -65.624 tors. eta vs tors. theta energy: -131.166 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: 7 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1391.885108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.885108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.885108 (E_RNA) where: Base-Base interactions energy: -946.286 where: short stacking energy: -421.216 Base-Backbone interact. energy: -4.037 local terms energy: -441.562188 where: bonds (distance) C4'-P energy: -66.534 bonds (distance) P-C4' energy: -88.785 flat angles C4'-P-C4' energy: -105.645 flat angles P-C4'-P energy: -54.202 tors. eta vs tors. theta energy: -126.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1299.940204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.940204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.940204 (E_RNA) where: Base-Base interactions energy: -861.155 where: short stacking energy: -394.060 Base-Backbone interact. energy: 1.902 local terms energy: -440.686988 where: bonds (distance) C4'-P energy: -70.380 bonds (distance) P-C4' energy: -99.074 flat angles C4'-P-C4' energy: -92.680 flat angles P-C4'-P energy: -62.851 tors. eta vs tors. theta energy: -115.702 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: 1 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1371.602634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.602634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.602634 (E_RNA) where: Base-Base interactions energy: -944.649 where: short stacking energy: -403.344 Base-Backbone interact. energy: -0.178 local terms energy: -426.775746 where: bonds (distance) C4'-P energy: -80.204 bonds (distance) P-C4' energy: -90.740 flat angles C4'-P-C4' energy: -76.419 flat angles P-C4'-P energy: -62.367 tors. eta vs tors. theta energy: -117.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1046.613575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.613575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.613575 (E_RNA) where: Base-Base interactions energy: -680.239 where: short stacking energy: -299.208 Base-Backbone interact. energy: 0.512 local terms energy: -366.886667 where: bonds (distance) C4'-P energy: -76.747 bonds (distance) P-C4' energy: -78.540 flat angles C4'-P-C4' energy: -83.855 flat angles P-C4'-P energy: -60.004 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: 8, replica: 10 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -736.406281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.406281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.406281 (E_RNA) where: Base-Base interactions energy: -429.424 where: short stacking energy: -215.815 Base-Backbone interact. energy: -1.377 local terms energy: -305.605315 where: bonds (distance) C4'-P energy: -90.264 bonds (distance) P-C4' energy: -83.457 flat angles C4'-P-C4' energy: -60.108 flat angles P-C4'-P energy: -46.332 tors. eta vs tors. theta energy: -25.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -489.014191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.014191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.014191 (E_RNA) where: Base-Base interactions energy: -227.464 where: short stacking energy: -125.446 Base-Backbone interact. energy: 3.098 local terms energy: -264.648101 where: bonds (distance) C4'-P energy: -83.835 bonds (distance) P-C4' energy: -68.270 flat angles C4'-P-C4' energy: -82.378 flat angles P-C4'-P energy: -32.872 tors. eta vs tors. theta energy: 2.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -420.299487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.299487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.299487 (E_RNA) where: Base-Base interactions energy: -155.796 where: short stacking energy: -107.964 Base-Backbone interact. energy: 0.912 local terms energy: -265.415393 where: bonds (distance) C4'-P energy: -86.817 bonds (distance) P-C4' energy: -74.305 flat angles C4'-P-C4' energy: -61.024 flat angles P-C4'-P energy: -48.164 tors. eta vs tors. theta energy: 4.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1635.662977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.662977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.662977 (E_RNA) where: Base-Base interactions energy: -1100.363 where: short stacking energy: -471.577 Base-Backbone interact. energy: -3.352 local terms energy: -531.947444 where: bonds (distance) C4'-P energy: -106.417 bonds (distance) P-C4' energy: -99.513 flat angles C4'-P-C4' energy: -113.787 flat angles P-C4'-P energy: -72.837 tors. eta vs tors. theta energy: -139.394 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: 6 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1616.797282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.797282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.797282 (E_RNA) where: Base-Base interactions energy: -1124.955 where: short stacking energy: -454.055 Base-Backbone interact. energy: -0.960 local terms energy: -490.882776 where: bonds (distance) C4'-P energy: -97.360 bonds (distance) P-C4' energy: -87.396 flat angles C4'-P-C4' energy: -101.201 flat angles P-C4'-P energy: -79.150 tors. eta vs tors. theta energy: -125.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1523.269420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.269420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.269420 (E_RNA) where: Base-Base interactions energy: -1040.720 where: short stacking energy: -416.851 Base-Backbone interact. energy: -2.367 local terms energy: -480.182472 where: bonds (distance) C4'-P energy: -93.371 bonds (distance) P-C4' energy: -88.239 flat angles C4'-P-C4' energy: -109.811 flat angles P-C4'-P energy: -66.243 tors. eta vs tors. theta energy: -122.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1336.133799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.133799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.133799 (E_RNA) where: Base-Base interactions energy: -904.656 where: short stacking energy: -404.318 Base-Backbone interact. energy: -1.710 local terms energy: -429.767793 where: bonds (distance) C4'-P energy: -85.093 bonds (distance) P-C4' energy: -82.034 flat angles C4'-P-C4' energy: -91.119 flat angles P-C4'-P energy: -59.286 tors. eta vs tors. theta energy: -112.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1348.300036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.300036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.300036 (E_RNA) where: Base-Base interactions energy: -918.832 where: short stacking energy: -386.234 Base-Backbone interact. energy: 0.710 local terms energy: -430.177748 where: bonds (distance) C4'-P energy: -76.816 bonds (distance) P-C4' energy: -86.400 flat angles C4'-P-C4' energy: -100.104 flat angles P-C4'-P energy: -55.199 tors. eta vs tors. theta energy: -111.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1345.400342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.400342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.400342 (E_RNA) where: Base-Base interactions energy: -915.594 where: short stacking energy: -374.403 Base-Backbone interact. energy: -2.499 local terms energy: -427.307522 where: bonds (distance) C4'-P energy: -79.310 bonds (distance) P-C4' energy: -89.603 flat angles C4'-P-C4' energy: -97.776 flat angles P-C4'-P energy: -65.543 tors. eta vs tors. theta energy: -95.075 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: 5 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1143.453202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.453202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.453202 (E_RNA) where: Base-Base interactions energy: -761.987 where: short stacking energy: -338.301 Base-Backbone interact. energy: 1.338 local terms energy: -382.803806 where: bonds (distance) C4'-P energy: -78.158 bonds (distance) P-C4' energy: -82.233 flat angles C4'-P-C4' energy: -90.875 flat angles P-C4'-P energy: -50.266 tors. eta vs tors. theta energy: -81.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -759.950829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.950829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.950829 (E_RNA) where: Base-Base interactions energy: -426.454 where: short stacking energy: -224.279 Base-Backbone interact. energy: 3.073 local terms energy: -336.569837 where: bonds (distance) C4'-P energy: -85.747 bonds (distance) P-C4' energy: -76.501 flat angles C4'-P-C4' energy: -86.969 flat angles P-C4'-P energy: -53.358 tors. eta vs tors. theta energy: -33.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -517.635705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.635705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.635705 (E_RNA) where: Base-Base interactions energy: -249.751 where: short stacking energy: -139.026 Base-Backbone interact. energy: -1.028 local terms energy: -266.856502 where: bonds (distance) C4'-P energy: -64.112 bonds (distance) P-C4' energy: -82.150 flat angles C4'-P-C4' energy: -63.138 flat angles P-C4'-P energy: -42.088 tors. eta vs tors. theta energy: -15.367 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: 10, replica: 9 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -371.469299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.469299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.469299 (E_RNA) where: Base-Base interactions energy: -120.201 where: short stacking energy: -114.598 Base-Backbone interact. energy: 1.355 local terms energy: -252.622694 where: bonds (distance) C4'-P energy: -75.346 bonds (distance) P-C4' energy: -80.689 flat angles C4'-P-C4' energy: -68.773 flat angles P-C4'-P energy: -42.668 tors. eta vs tors. theta energy: 14.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1672.935965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.935965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.935965 (E_RNA) where: Base-Base interactions energy: -1141.861 where: short stacking energy: -475.197 Base-Backbone interact. energy: 1.407 local terms energy: -532.482478 where: bonds (distance) C4'-P energy: -108.654 bonds (distance) P-C4' energy: -94.567 flat angles C4'-P-C4' energy: -114.827 flat angles P-C4'-P energy: -74.924 tors. eta vs tors. theta energy: -139.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1615.043051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.043051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.043051 (E_RNA) where: Base-Base interactions energy: -1096.018 where: short stacking energy: -470.567 Base-Backbone interact. energy: -3.915 local terms energy: -515.109470 where: bonds (distance) C4'-P energy: -102.935 bonds (distance) P-C4' energy: -87.881 flat angles C4'-P-C4' energy: -114.841 flat angles P-C4'-P energy: -68.041 tors. eta vs tors. theta energy: -141.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1535.439963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.439963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.439963 (E_RNA) where: Base-Base interactions energy: -1085.530 where: short stacking energy: -422.941 Base-Backbone interact. energy: -0.032 local terms energy: -449.877451 where: bonds (distance) C4'-P energy: -86.812 bonds (distance) P-C4' energy: -84.837 flat angles C4'-P-C4' energy: -101.779 flat angles P-C4'-P energy: -67.375 tors. eta vs tors. theta energy: -109.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1307.356494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.356494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.356494 (E_RNA) where: Base-Base interactions energy: -854.763 where: short stacking energy: -388.942 Base-Backbone interact. energy: -0.301 local terms energy: -452.292041 where: bonds (distance) C4'-P energy: -90.857 bonds (distance) P-C4' energy: -72.490 flat angles C4'-P-C4' energy: -103.370 flat angles P-C4'-P energy: -68.955 tors. eta vs tors. theta energy: -116.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1297.641596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.641596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.641596 (E_RNA) where: Base-Base interactions energy: -878.598 where: short stacking energy: -363.701 Base-Backbone interact. energy: -1.466 local terms energy: -417.577528 where: bonds (distance) C4'-P energy: -89.113 bonds (distance) P-C4' energy: -73.782 flat angles C4'-P-C4' energy: -89.606 flat angles P-C4'-P energy: -64.324 tors. eta vs tors. theta energy: -100.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1318.058903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.058903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.058903 (E_RNA) where: Base-Base interactions energy: -886.216 where: short stacking energy: -369.770 Base-Backbone interact. energy: -0.786 local terms energy: -431.056998 where: bonds (distance) C4'-P energy: -93.629 bonds (distance) P-C4' energy: -77.830 flat angles C4'-P-C4' energy: -99.170 flat angles P-C4'-P energy: -65.793 tors. eta vs tors. theta energy: -94.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1092.331943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.331943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.331943 (E_RNA) where: Base-Base interactions energy: -720.682 where: short stacking energy: -326.632 Base-Backbone interact. energy: 2.962 local terms energy: -374.611778 where: bonds (distance) C4'-P energy: -74.111 bonds (distance) P-C4' energy: -84.939 flat angles C4'-P-C4' energy: -94.033 flat angles P-C4'-P energy: -46.471 tors. eta vs tors. theta energy: -75.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -761.729585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.729585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.729585 (E_RNA) where: Base-Base interactions energy: -431.559 where: short stacking energy: -217.952 Base-Backbone interact. energy: -0.227 local terms energy: -329.943394 where: bonds (distance) C4'-P energy: -69.603 bonds (distance) P-C4' energy: -94.609 flat angles C4'-P-C4' energy: -81.743 flat angles P-C4'-P energy: -48.014 tors. eta vs tors. theta energy: -35.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -546.713932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.713932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.713932 (E_RNA) where: Base-Base interactions energy: -287.875 where: short stacking energy: -167.268 Base-Backbone interact. energy: 1.624 local terms energy: -260.462769 where: bonds (distance) C4'-P energy: -78.599 bonds (distance) P-C4' energy: -81.417 flat angles C4'-P-C4' energy: -57.812 flat angles P-C4'-P energy: -39.684 tors. eta vs tors. theta energy: -2.951 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: 10, replica: 9 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -394.303713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.303713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.303713 (E_RNA) where: Base-Base interactions energy: -140.021 where: short stacking energy: -106.765 Base-Backbone interact. energy: -0.310 local terms energy: -253.972139 where: bonds (distance) C4'-P energy: -83.643 bonds (distance) P-C4' energy: -73.300 flat angles C4'-P-C4' energy: -73.717 flat angles P-C4'-P energy: -42.306 tors. eta vs tors. theta energy: 18.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1645.275884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.275884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.275884 (E_RNA) where: Base-Base interactions energy: -1146.311 where: short stacking energy: -484.022 Base-Backbone interact. energy: -0.892 local terms energy: -498.073575 where: bonds (distance) C4'-P energy: -83.078 bonds (distance) P-C4' energy: -101.713 flat angles C4'-P-C4' energy: -107.343 flat angles P-C4'-P energy: -73.710 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: 2 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1592.359091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.359091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.359091 (E_RNA) where: Base-Base interactions energy: -1084.835 where: short stacking energy: -465.203 Base-Backbone interact. energy: -3.229 local terms energy: -504.294228 where: bonds (distance) C4'-P energy: -87.440 bonds (distance) P-C4' energy: -104.923 flat angles C4'-P-C4' energy: -100.705 flat angles P-C4'-P energy: -73.946 tors. eta vs tors. theta energy: -137.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1561.999533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.999533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.999533 (E_RNA) where: Base-Base interactions energy: -1086.362 where: short stacking energy: -417.432 Base-Backbone interact. energy: -1.812 local terms energy: -473.825884 where: bonds (distance) C4'-P energy: -83.266 bonds (distance) P-C4' energy: -92.723 flat angles C4'-P-C4' energy: -101.134 flat angles P-C4'-P energy: -76.967 tors. eta vs tors. theta energy: -119.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1385.609301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.609301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.609301 (E_RNA) where: Base-Base interactions energy: -943.769 where: short stacking energy: -393.685 Base-Backbone interact. energy: -2.982 local terms energy: -438.858113 where: bonds (distance) C4'-P energy: -68.694 bonds (distance) P-C4' energy: -82.901 flat angles C4'-P-C4' energy: -105.210 flat angles P-C4'-P energy: -70.265 tors. eta vs tors. theta energy: -111.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1242.976674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.976674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.976674 (E_RNA) where: Base-Base interactions energy: -815.794 where: short stacking energy: -349.736 Base-Backbone interact. energy: -1.766 local terms energy: -425.416701 where: bonds (distance) C4'-P energy: -80.374 bonds (distance) P-C4' energy: -81.913 flat angles C4'-P-C4' energy: -101.548 flat angles P-C4'-P energy: -59.899 tors. eta vs tors. theta energy: -101.683 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: 6, replica: 1 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1361.508703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.508703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.508703 (E_RNA) where: Base-Base interactions energy: -930.185 where: short stacking energy: -383.259 Base-Backbone interact. energy: -0.739 local terms energy: -430.584801 where: bonds (distance) C4'-P energy: -81.069 bonds (distance) P-C4' energy: -83.320 flat angles C4'-P-C4' energy: -96.504 flat angles P-C4'-P energy: -72.701 tors. eta vs tors. theta energy: -96.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1099.049398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.049398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.049398 (E_RNA) where: Base-Base interactions energy: -708.990 where: short stacking energy: -315.515 Base-Backbone interact. energy: -0.876 local terms energy: -389.183387 where: bonds (distance) C4'-P energy: -88.838 bonds (distance) P-C4' energy: -93.176 flat angles C4'-P-C4' energy: -85.081 flat angles P-C4'-P energy: -47.750 tors. eta vs tors. theta energy: -74.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -739.128830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.128830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.128830 (E_RNA) where: Base-Base interactions energy: -419.659 where: short stacking energy: -199.207 Base-Backbone interact. energy: -0.604 local terms energy: -318.866159 where: bonds (distance) C4'-P energy: -90.021 bonds (distance) P-C4' energy: -87.155 flat angles C4'-P-C4' energy: -69.165 flat angles P-C4'-P energy: -40.951 tors. eta vs tors. theta energy: -31.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -553.113665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.113665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.113665 (E_RNA) where: Base-Base interactions energy: -257.241 where: short stacking energy: -145.405 Base-Backbone interact. energy: -1.244 local terms energy: -294.628411 where: bonds (distance) C4'-P energy: -81.860 bonds (distance) P-C4' energy: -76.852 flat angles C4'-P-C4' energy: -83.600 flat angles P-C4'-P energy: -44.470 tors. eta vs tors. theta energy: -7.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -465.417170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.417170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.417170 (E_RNA) where: Base-Base interactions energy: -243.544 where: short stacking energy: -124.535 Base-Backbone interact. energy: -0.299 local terms energy: -221.573868 where: bonds (distance) C4'-P energy: -65.676 bonds (distance) P-C4' energy: -54.269 flat angles C4'-P-C4' energy: -52.411 flat angles P-C4'-P energy: -52.521 tors. eta vs tors. theta energy: 3.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1640.106717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.106717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.106717 (E_RNA) where: Base-Base interactions energy: -1111.597 where: short stacking energy: -460.107 Base-Backbone interact. energy: -3.045 local terms energy: -525.464001 where: bonds (distance) C4'-P energy: -103.845 bonds (distance) P-C4' energy: -92.263 flat angles C4'-P-C4' energy: -115.221 flat angles P-C4'-P energy: -71.154 tors. eta vs tors. theta energy: -142.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1616.609693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.609693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.609693 (E_RNA) where: Base-Base interactions energy: -1122.536 where: short stacking energy: -457.066 Base-Backbone interact. energy: -1.000 local terms energy: -493.073668 where: bonds (distance) C4'-P energy: -87.362 bonds (distance) P-C4' energy: -85.692 flat angles C4'-P-C4' energy: -107.780 flat angles P-C4'-P energy: -74.567 tors. eta vs tors. theta energy: -137.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1532.331213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.331213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.331213 (E_RNA) where: Base-Base interactions energy: -1066.552 where: short stacking energy: -447.570 Base-Backbone interact. energy: -1.572 local terms energy: -464.207587 where: bonds (distance) C4'-P energy: -85.602 bonds (distance) P-C4' energy: -85.067 flat angles C4'-P-C4' energy: -107.849 flat angles P-C4'-P energy: -68.254 tors. eta vs tors. theta energy: -117.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1392.327763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.327763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.327763 (E_RNA) where: Base-Base interactions energy: -937.687 where: short stacking energy: -369.851 Base-Backbone interact. energy: 2.596 local terms energy: -457.236776 where: bonds (distance) C4'-P energy: -88.000 bonds (distance) P-C4' energy: -92.805 flat angles C4'-P-C4' energy: -100.432 flat angles P-C4'-P energy: -69.296 tors. eta vs tors. theta energy: -106.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1417.293683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.293683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.293683 (E_RNA) where: Base-Base interactions energy: -973.382 where: short stacking energy: -418.721 Base-Backbone interact. energy: -1.342 local terms energy: -442.569796 where: bonds (distance) C4'-P energy: -86.610 bonds (distance) P-C4' energy: -80.726 flat angles C4'-P-C4' energy: -97.714 flat angles P-C4'-P energy: -63.715 tors. eta vs tors. theta energy: -113.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1215.923217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.923217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.923217 (E_RNA) where: Base-Base interactions energy: -802.348 where: short stacking energy: -341.325 Base-Backbone interact. energy: 0.249 local terms energy: -413.824032 where: bonds (distance) C4'-P energy: -85.615 bonds (distance) P-C4' energy: -84.947 flat angles C4'-P-C4' energy: -90.687 flat angles P-C4'-P energy: -49.437 tors. eta vs tors. theta energy: -103.138 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: 7, replica: 5 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1118.000150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.000150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.000150 (E_RNA) where: Base-Base interactions energy: -719.596 where: short stacking energy: -307.156 Base-Backbone interact. energy: 1.690 local terms energy: -400.093726 where: bonds (distance) C4'-P energy: -93.182 bonds (distance) P-C4' energy: -86.388 flat angles C4'-P-C4' energy: -96.740 flat angles P-C4'-P energy: -56.511 tors. eta vs tors. theta energy: -67.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -763.688807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.688807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.688807 (E_RNA) where: Base-Base interactions energy: -441.736 where: short stacking energy: -231.315 Base-Backbone interact. energy: -2.041 local terms energy: -319.912266 where: bonds (distance) C4'-P energy: -69.823 bonds (distance) P-C4' energy: -91.298 flat angles C4'-P-C4' energy: -90.734 flat angles P-C4'-P energy: -29.534 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: 9, replica: 9 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -598.630117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.630117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.630117 (E_RNA) where: Base-Base interactions energy: -296.264 where: short stacking energy: -166.432 Base-Backbone interact. energy: 1.499 local terms energy: -303.864973 where: bonds (distance) C4'-P energy: -69.369 bonds (distance) P-C4' energy: -102.847 flat angles C4'-P-C4' energy: -72.586 flat angles P-C4'-P energy: -43.056 tors. eta vs tors. theta energy: -16.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -518.175899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.175899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.175899 (E_RNA) where: Base-Base interactions energy: -247.087 where: short stacking energy: -146.833 Base-Backbone interact. energy: -1.301 local terms energy: -269.788314 where: bonds (distance) C4'-P energy: -74.433 bonds (distance) P-C4' energy: -72.213 flat angles C4'-P-C4' energy: -81.928 flat angles P-C4'-P energy: -25.963 tors. eta vs tors. theta energy: -15.250 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: 1, replica: 2 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1666.553289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.553289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.553289 (E_RNA) where: Base-Base interactions energy: -1151.825 where: short stacking energy: -477.383 Base-Backbone interact. energy: -3.599 local terms energy: -511.128762 where: bonds (distance) C4'-P energy: -87.962 bonds (distance) P-C4' energy: -101.528 flat angles C4'-P-C4' energy: -111.586 flat angles P-C4'-P energy: -68.031 tors. eta vs tors. theta energy: -142.023 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: 6 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1630.685643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.685643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.685643 (E_RNA) where: Base-Base interactions energy: -1123.693 where: short stacking energy: -432.551 Base-Backbone interact. energy: -2.260 local terms energy: -504.732435 where: bonds (distance) C4'-P energy: -98.382 bonds (distance) P-C4' energy: -99.850 flat angles C4'-P-C4' energy: -101.255 flat angles P-C4'-P energy: -69.688 tors. eta vs tors. theta energy: -135.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1537.797987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.797987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.797987 (E_RNA) where: Base-Base interactions energy: -1057.256 where: short stacking energy: -431.709 Base-Backbone interact. energy: -2.688 local terms energy: -477.854403 where: bonds (distance) C4'-P energy: -88.011 bonds (distance) P-C4' energy: -91.286 flat angles C4'-P-C4' energy: -93.564 flat angles P-C4'-P energy: -75.677 tors. eta vs tors. theta energy: -129.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1446.447244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.447244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.447244 (E_RNA) where: Base-Base interactions energy: -993.044 where: short stacking energy: -399.256 Base-Backbone interact. energy: -1.047 local terms energy: -452.356842 where: bonds (distance) C4'-P energy: -77.557 bonds (distance) P-C4' energy: -85.147 flat angles C4'-P-C4' energy: -107.540 flat angles P-C4'-P energy: -70.989 tors. eta vs tors. theta energy: -111.124 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: 39 Temperature: 1.100000 Total energy: -1419.431510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.431510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.431510 (E_RNA) where: Base-Base interactions energy: -967.806 where: short stacking energy: -390.280 Base-Backbone interact. energy: -2.011 local terms energy: -449.614867 where: bonds (distance) C4'-P energy: -90.550 bonds (distance) P-C4' energy: -87.364 flat angles C4'-P-C4' energy: -102.083 flat angles P-C4'-P energy: -56.195 tors. eta vs tors. theta energy: -113.423 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: 3 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1225.295549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.295549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.295549 (E_RNA) where: Base-Base interactions energy: -804.316 where: short stacking energy: -346.217 Base-Backbone interact. energy: -1.458 local terms energy: -419.520960 where: bonds (distance) C4'-P energy: -86.730 bonds (distance) P-C4' energy: -75.286 flat angles C4'-P-C4' energy: -90.258 flat angles P-C4'-P energy: -63.297 tors. eta vs tors. theta energy: -103.951 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: 5 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1084.991257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.991257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.991257 (E_RNA) where: Base-Base interactions energy: -738.647 where: short stacking energy: -335.975 Base-Backbone interact. energy: -0.188 local terms energy: -346.155367 where: bonds (distance) C4'-P energy: -79.627 bonds (distance) P-C4' energy: -68.713 flat angles C4'-P-C4' energy: -79.743 flat angles P-C4'-P energy: -39.879 tors. eta vs tors. theta energy: -78.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -815.183883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.183883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.183883 (E_RNA) where: Base-Base interactions energy: -502.165 where: short stacking energy: -228.751 Base-Backbone interact. energy: 1.802 local terms energy: -314.821642 where: bonds (distance) C4'-P energy: -74.811 bonds (distance) P-C4' energy: -86.753 flat angles C4'-P-C4' energy: -64.533 flat angles P-C4'-P energy: -54.687 tors. eta vs tors. theta energy: -34.038 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: 39 Temperature: 1.300000 Total energy: -592.768355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.768355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.768355 (E_RNA) where: Base-Base interactions energy: -295.611 where: short stacking energy: -152.491 Base-Backbone interact. energy: 0.498 local terms energy: -297.655217 where: bonds (distance) C4'-P energy: -76.245 bonds (distance) P-C4' energy: -86.328 flat angles C4'-P-C4' energy: -81.972 flat angles P-C4'-P energy: -42.033 tors. eta vs tors. theta energy: -11.076 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: 8 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -514.472501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.472501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.472501 (E_RNA) where: Base-Base interactions energy: -239.233 where: short stacking energy: -142.130 Base-Backbone interact. energy: 0.954 local terms energy: -276.193015 where: bonds (distance) C4'-P energy: -82.312 bonds (distance) P-C4' energy: -74.571 flat angles C4'-P-C4' energy: -68.404 flat angles P-C4'-P energy: -54.025 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: 1, replica: 2 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1668.110908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.110908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.110908 (E_RNA) where: Base-Base interactions energy: -1147.643 where: short stacking energy: -481.054 Base-Backbone interact. energy: -1.743 local terms energy: -518.725715 where: bonds (distance) C4'-P energy: -99.318 bonds (distance) P-C4' energy: -98.383 flat angles C4'-P-C4' energy: -113.691 flat angles P-C4'-P energy: -62.145 tors. eta vs tors. theta energy: -145.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1629.376113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.376113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.376113 (E_RNA) where: Base-Base interactions energy: -1135.760 where: short stacking energy: -456.709 Base-Backbone interact. energy: -0.990 local terms energy: -492.626376 where: bonds (distance) C4'-P energy: -90.209 bonds (distance) P-C4' energy: -95.977 flat angles C4'-P-C4' energy: -109.325 flat angles P-C4'-P energy: -55.851 tors. eta vs tors. theta energy: -141.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1552.866649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.866649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.866649 (E_RNA) where: Base-Base interactions energy: -1066.126 where: short stacking energy: -449.167 Base-Backbone interact. energy: -2.469 local terms energy: -484.271741 where: bonds (distance) C4'-P energy: -77.731 bonds (distance) P-C4' energy: -96.828 flat angles C4'-P-C4' energy: -96.482 flat angles P-C4'-P energy: -79.269 tors. eta vs tors. theta energy: -133.961 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: 1 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1434.454257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.454257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.454257 (E_RNA) where: Base-Base interactions energy: -995.220 where: short stacking energy: -406.478 Base-Backbone interact. energy: -1.010 local terms energy: -438.224289 where: bonds (distance) C4'-P energy: -86.835 bonds (distance) P-C4' energy: -87.933 flat angles C4'-P-C4' energy: -95.563 flat angles P-C4'-P energy: -57.110 tors. eta vs tors. theta energy: -110.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1405.077982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.077982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.077982 (E_RNA) where: Base-Base interactions energy: -977.197 where: short stacking energy: -394.809 Base-Backbone interact. energy: -1.559 local terms energy: -426.321769 where: bonds (distance) C4'-P energy: -74.751 bonds (distance) P-C4' energy: -87.981 flat angles C4'-P-C4' energy: -93.476 flat angles P-C4'-P energy: -61.140 tors. eta vs tors. theta energy: -108.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1227.609783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.609783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.609783 (E_RNA) where: Base-Base interactions energy: -812.228 where: short stacking energy: -349.095 Base-Backbone interact. energy: -1.110 local terms energy: -414.271627 where: bonds (distance) C4'-P energy: -80.040 bonds (distance) P-C4' energy: -88.887 flat angles C4'-P-C4' energy: -91.702 flat angles P-C4'-P energy: -55.055 tors. eta vs tors. theta energy: -98.587 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: 7, replica: 5 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1091.086962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.086962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.086962 (E_RNA) where: Base-Base interactions energy: -705.164 where: short stacking energy: -301.798 Base-Backbone interact. energy: -2.451 local terms energy: -383.470986 where: bonds (distance) C4'-P energy: -77.838 bonds (distance) P-C4' energy: -86.649 flat angles C4'-P-C4' energy: -86.352 flat angles P-C4'-P energy: -56.432 tors. eta vs tors. theta energy: -76.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -821.849862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.849862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.849862 (E_RNA) where: Base-Base interactions energy: -513.426 where: short stacking energy: -243.585 Base-Backbone interact. energy: 0.051 local terms energy: -308.474451 where: bonds (distance) C4'-P energy: -77.402 bonds (distance) P-C4' energy: -76.900 flat angles C4'-P-C4' energy: -69.176 flat angles P-C4'-P energy: -46.585 tors. eta vs tors. theta energy: -38.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -589.713012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.713012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.713012 (E_RNA) where: Base-Base interactions energy: -280.682 where: short stacking energy: -161.162 Base-Backbone interact. energy: 1.371 local terms energy: -310.402503 where: bonds (distance) C4'-P energy: -69.008 bonds (distance) P-C4' energy: -77.392 flat angles C4'-P-C4' energy: -80.645 flat angles P-C4'-P energy: -52.453 tors. eta vs tors. theta energy: -30.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -452.405364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.405364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.405364 (E_RNA) where: Base-Base interactions energy: -208.587 where: short stacking energy: -127.934 Base-Backbone interact. energy: 1.149 local terms energy: -244.967258 where: bonds (distance) C4'-P energy: -74.774 bonds (distance) P-C4' energy: -70.763 flat angles C4'-P-C4' energy: -65.771 flat angles P-C4'-P energy: -32.769 tors. eta vs tors. theta energy: -0.890 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: 1, replica: 2 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1657.299275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.299275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.299275 (E_RNA) where: Base-Base interactions energy: -1117.299 where: short stacking energy: -459.455 Base-Backbone interact. energy: -1.939 local terms energy: -538.061650 where: bonds (distance) C4'-P energy: -92.110 bonds (distance) P-C4' energy: -105.281 flat angles C4'-P-C4' energy: -120.340 flat angles P-C4'-P energy: -80.643 tors. eta vs tors. theta energy: -139.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1638.189272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.189272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.189272 (E_RNA) where: Base-Base interactions energy: -1135.863 where: short stacking energy: -480.142 Base-Backbone interact. energy: 0.142 local terms energy: -502.468849 where: bonds (distance) C4'-P energy: -101.164 bonds (distance) P-C4' energy: -80.417 flat angles C4'-P-C4' energy: -102.009 flat angles P-C4'-P energy: -74.056 tors. eta vs tors. theta energy: -144.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1588.541201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.541201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.541201 (E_RNA) where: Base-Base interactions energy: -1116.104 where: short stacking energy: -445.724 Base-Backbone interact. energy: -3.051 local terms energy: -469.385897 where: bonds (distance) C4'-P energy: -73.872 bonds (distance) P-C4' energy: -91.564 flat angles C4'-P-C4' energy: -106.616 flat angles P-C4'-P energy: -67.958 tors. eta vs tors. theta energy: -129.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1484.542957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.542957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.542957 (E_RNA) where: Base-Base interactions energy: -1027.798 where: short stacking energy: -428.001 Base-Backbone interact. energy: 0.112 local terms energy: -456.856894 where: bonds (distance) C4'-P energy: -88.628 bonds (distance) P-C4' energy: -86.042 flat angles C4'-P-C4' energy: -103.075 flat angles P-C4'-P energy: -55.319 tors. eta vs tors. theta energy: -123.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1355.059533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.059533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.059533 (E_RNA) where: Base-Base interactions energy: -921.189 where: short stacking energy: -366.113 Base-Backbone interact. energy: -0.035 local terms energy: -433.835826 where: bonds (distance) C4'-P energy: -85.498 bonds (distance) P-C4' energy: -81.420 flat angles C4'-P-C4' energy: -97.394 flat angles P-C4'-P energy: -67.835 tors. eta vs tors. theta energy: -101.688 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: 3 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1244.521166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.521166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.521166 (E_RNA) where: Base-Base interactions energy: -829.559 where: short stacking energy: -355.998 Base-Backbone interact. energy: 9.531 local terms energy: -424.492846 where: bonds (distance) C4'-P energy: -74.316 bonds (distance) P-C4' energy: -89.427 flat angles C4'-P-C4' energy: -101.603 flat angles P-C4'-P energy: -65.439 tors. eta vs tors. theta energy: -93.708 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: 5 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1082.562608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.562608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.562608 (E_RNA) where: Base-Base interactions energy: -703.955 where: short stacking energy: -312.377 Base-Backbone interact. energy: 0.537 local terms energy: -379.143827 where: bonds (distance) C4'-P energy: -82.544 bonds (distance) P-C4' energy: -86.708 flat angles C4'-P-C4' energy: -88.987 flat angles P-C4'-P energy: -49.978 tors. eta vs tors. theta energy: -70.927 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: 8, replica: 10 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -733.941398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.941398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.941398 (E_RNA) where: Base-Base interactions energy: -423.652 where: short stacking energy: -210.191 Base-Backbone interact. energy: -1.276 local terms energy: -309.013237 where: bonds (distance) C4'-P energy: -66.570 bonds (distance) P-C4' energy: -78.427 flat angles C4'-P-C4' energy: -86.164 flat angles P-C4'-P energy: -42.694 tors. eta vs tors. theta energy: -35.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -528.031569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.031569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.031569 (E_RNA) where: Base-Base interactions energy: -258.803 where: short stacking energy: -153.503 Base-Backbone interact. energy: 1.473 local terms energy: -270.701631 where: bonds (distance) C4'-P energy: -72.509 bonds (distance) P-C4' energy: -85.414 flat angles C4'-P-C4' energy: -76.375 flat angles P-C4'-P energy: -41.571 tors. eta vs tors. theta energy: 5.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -424.929047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.929047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.929047 (E_RNA) where: Base-Base interactions energy: -181.731 where: short stacking energy: -133.106 Base-Backbone interact. energy: 2.868 local terms energy: -246.066150 where: bonds (distance) C4'-P energy: -73.676 bonds (distance) P-C4' energy: -72.176 flat angles C4'-P-C4' energy: -65.166 flat angles P-C4'-P energy: -31.261 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: 1, replica: 2 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1657.257919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.257919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.257919 (E_RNA) where: Base-Base interactions energy: -1131.820 where: short stacking energy: -470.088 Base-Backbone interact. energy: -2.852 local terms energy: -522.585809 where: bonds (distance) C4'-P energy: -91.423 bonds (distance) P-C4' energy: -102.424 flat angles C4'-P-C4' energy: -111.654 flat angles P-C4'-P energy: -75.029 tors. eta vs tors. theta energy: -142.056 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: 6 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1626.555754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.555754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.555754 (E_RNA) where: Base-Base interactions energy: -1127.200 where: short stacking energy: -463.190 Base-Backbone interact. energy: -1.945 local terms energy: -497.410242 where: bonds (distance) C4'-P energy: -81.676 bonds (distance) P-C4' energy: -102.517 flat angles C4'-P-C4' energy: -114.292 flat angles P-C4'-P energy: -60.573 tors. eta vs tors. theta energy: -138.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1552.433383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.433383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.433383 (E_RNA) where: Base-Base interactions energy: -1083.646 where: short stacking energy: -448.134 Base-Backbone interact. energy: -1.758 local terms energy: -467.028845 where: bonds (distance) C4'-P energy: -84.849 bonds (distance) P-C4' energy: -83.950 flat angles C4'-P-C4' energy: -96.380 flat angles P-C4'-P energy: -71.943 tors. eta vs tors. theta energy: -129.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1482.736799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.736799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.736799 (E_RNA) where: Base-Base interactions energy: -1004.446 where: short stacking energy: -420.054 Base-Backbone interact. energy: -3.062 local terms energy: -475.228635 where: bonds (distance) C4'-P energy: -92.201 bonds (distance) P-C4' energy: -80.593 flat angles C4'-P-C4' energy: -103.903 flat angles P-C4'-P energy: -71.454 tors. eta vs tors. theta energy: -127.078 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: 7 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1381.579287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.579287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.579287 (E_RNA) where: Base-Base interactions energy: -927.384 where: short stacking energy: -364.640 Base-Backbone interact. energy: -4.294 local terms energy: -449.901771 where: bonds (distance) C4'-P energy: -81.900 bonds (distance) P-C4' energy: -93.860 flat angles C4'-P-C4' energy: -89.211 flat angles P-C4'-P energy: -75.260 tors. eta vs tors. theta energy: -109.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1265.521554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.521554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.521554 (E_RNA) where: Base-Base interactions energy: -848.158 where: short stacking energy: -372.575 Base-Backbone interact. energy: 2.450 local terms energy: -419.813918 where: bonds (distance) C4'-P energy: -84.351 bonds (distance) P-C4' energy: -71.992 flat angles C4'-P-C4' energy: -94.037 flat angles P-C4'-P energy: -71.962 tors. eta vs tors. theta energy: -97.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1080.148076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.148076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.148076 (E_RNA) where: Base-Base interactions energy: -737.523 where: short stacking energy: -301.758 Base-Backbone interact. energy: 5.430 local terms energy: -348.054908 where: bonds (distance) C4'-P energy: -79.142 bonds (distance) P-C4' energy: -78.865 flat angles C4'-P-C4' energy: -74.270 flat angles P-C4'-P energy: -53.089 tors. eta vs tors. theta energy: -62.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -753.090803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.090803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.090803 (E_RNA) where: Base-Base interactions energy: -425.630 where: short stacking energy: -208.656 Base-Backbone interact. energy: 0.466 local terms energy: -327.926634 where: bonds (distance) C4'-P energy: -86.868 bonds (distance) P-C4' energy: -71.838 flat angles C4'-P-C4' energy: -80.193 flat angles P-C4'-P energy: -55.275 tors. eta vs tors. theta energy: -33.752 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: 9, replica: 9 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -557.190233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.190233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.190233 (E_RNA) where: Base-Base interactions energy: -281.368 where: short stacking energy: -160.294 Base-Backbone interact. energy: -3.461 local terms energy: -272.361479 where: bonds (distance) C4'-P energy: -60.987 bonds (distance) P-C4' energy: -80.088 flat angles C4'-P-C4' energy: -84.159 flat angles P-C4'-P energy: -42.985 tors. eta vs tors. theta energy: -4.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -465.694375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.694375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.694375 (E_RNA) where: Base-Base interactions energy: -177.124 where: short stacking energy: -137.600 Base-Backbone interact. energy: -0.317 local terms energy: -288.253133 where: bonds (distance) C4'-P energy: -81.050 bonds (distance) P-C4' energy: -87.202 flat angles C4'-P-C4' energy: -71.768 flat angles P-C4'-P energy: -48.102 tors. eta vs tors. theta energy: -0.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1654.634858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.634858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.634858 (E_RNA) where: Base-Base interactions energy: -1144.630 where: short stacking energy: -472.368 Base-Backbone interact. energy: -2.891 local terms energy: -507.114440 where: bonds (distance) C4'-P energy: -89.837 bonds (distance) P-C4' energy: -88.048 flat angles C4'-P-C4' energy: -112.555 flat angles P-C4'-P energy: -79.358 tors. eta vs tors. theta energy: -137.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1660.552138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.552138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.552138 (E_RNA) where: Base-Base interactions energy: -1150.320 where: short stacking energy: -469.923 Base-Backbone interact. energy: -0.562 local terms energy: -509.669591 where: bonds (distance) C4'-P energy: -100.397 bonds (distance) P-C4' energy: -98.878 flat angles C4'-P-C4' energy: -105.963 flat angles P-C4'-P energy: -73.044 tors. eta vs tors. theta energy: -131.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1587.741400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.741400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.741400 (E_RNA) where: Base-Base interactions energy: -1093.420 where: short stacking energy: -426.686 Base-Backbone interact. energy: -2.478 local terms energy: -491.843322 where: bonds (distance) C4'-P energy: -91.158 bonds (distance) P-C4' energy: -99.268 flat angles C4'-P-C4' energy: -97.866 flat angles P-C4'-P energy: -75.291 tors. eta vs tors. theta energy: -128.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1469.023160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.023160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.023160 (E_RNA) where: Base-Base interactions energy: -1018.610 where: short stacking energy: -425.666 Base-Backbone interact. energy: -0.011 local terms energy: -450.401581 where: bonds (distance) C4'-P energy: -91.731 bonds (distance) P-C4' energy: -81.908 flat angles C4'-P-C4' energy: -91.433 flat angles P-C4'-P energy: -71.276 tors. eta vs tors. theta energy: -114.053 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: 43 Temperature: 1.100000 Total energy: -1365.658401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.658401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.658401 (E_RNA) where: Base-Base interactions energy: -915.738 where: short stacking energy: -389.371 Base-Backbone interact. energy: -1.583 local terms energy: -448.337349 where: bonds (distance) C4'-P energy: -79.600 bonds (distance) P-C4' energy: -94.443 flat angles C4'-P-C4' energy: -98.583 flat angles P-C4'-P energy: -65.900 tors. eta vs tors. theta energy: -109.810 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: 3 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1247.077795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.077795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.077795 (E_RNA) where: Base-Base interactions energy: -842.891 where: short stacking energy: -377.185 Base-Backbone interact. energy: -0.448 local terms energy: -403.738168 where: bonds (distance) C4'-P energy: -75.930 bonds (distance) P-C4' energy: -82.938 flat angles C4'-P-C4' energy: -92.164 flat angles P-C4'-P energy: -57.840 tors. eta vs tors. theta energy: -94.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1068.035288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.035288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.035288 (E_RNA) where: Base-Base interactions energy: -685.191 where: short stacking energy: -278.813 Base-Backbone interact. energy: -0.087 local terms energy: -382.757160 where: bonds (distance) C4'-P energy: -89.626 bonds (distance) P-C4' energy: -88.025 flat angles C4'-P-C4' energy: -72.349 flat angles P-C4'-P energy: -66.592 tors. eta vs tors. theta energy: -66.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -650.822335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.822335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.822335 (E_RNA) where: Base-Base interactions energy: -367.648 where: short stacking energy: -189.581 Base-Backbone interact. energy: 1.288 local terms energy: -284.462331 where: bonds (distance) C4'-P energy: -55.102 bonds (distance) P-C4' energy: -94.364 flat angles C4'-P-C4' energy: -65.130 flat angles P-C4'-P energy: -55.558 tors. eta vs tors. theta energy: -14.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -751.095865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.095865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.095865 (E_RNA) where: Base-Base interactions energy: -437.305 where: short stacking energy: -209.838 Base-Backbone interact. energy: 3.078 local terms energy: -316.868704 where: bonds (distance) C4'-P energy: -83.181 bonds (distance) P-C4' energy: -73.796 flat angles C4'-P-C4' energy: -64.348 flat angles P-C4'-P energy: -59.564 tors. eta vs tors. theta energy: -35.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -392.341044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.341044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.341044 (E_RNA) where: Base-Base interactions energy: -146.097 where: short stacking energy: -91.966 Base-Backbone interact. energy: -1.570 local terms energy: -244.673981 where: bonds (distance) C4'-P energy: -78.278 bonds (distance) P-C4' energy: -80.121 flat angles C4'-P-C4' energy: -57.606 flat angles P-C4'-P energy: -47.178 tors. eta vs tors. theta energy: 18.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1691.863206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.863206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.863206 (E_RNA) where: Base-Base interactions energy: -1171.827 where: short stacking energy: -478.588 Base-Backbone interact. energy: -2.156 local terms energy: -517.880731 where: bonds (distance) C4'-P energy: -103.827 bonds (distance) P-C4' energy: -93.409 flat angles C4'-P-C4' energy: -103.084 flat angles P-C4'-P energy: -75.964 tors. eta vs tors. theta energy: -141.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1619.378052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.378052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.378052 (E_RNA) where: Base-Base interactions energy: -1116.386 where: short stacking energy: -469.525 Base-Backbone interact. energy: -1.035 local terms energy: -501.957364 where: bonds (distance) C4'-P energy: -83.415 bonds (distance) P-C4' energy: -94.212 flat angles C4'-P-C4' energy: -110.002 flat angles P-C4'-P energy: -74.726 tors. eta vs tors. theta energy: -139.603 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: 4 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1585.839122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.839122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.839122 (E_RNA) where: Base-Base interactions energy: -1074.116 where: short stacking energy: -443.534 Base-Backbone interact. energy: -2.063 local terms energy: -509.660589 where: bonds (distance) C4'-P energy: -94.854 bonds (distance) P-C4' energy: -93.053 flat angles C4'-P-C4' energy: -112.110 flat angles P-C4'-P energy: -74.601 tors. eta vs tors. theta energy: -135.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1473.221700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.221700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.221700 (E_RNA) where: Base-Base interactions energy: -986.461 where: short stacking energy: -401.164 Base-Backbone interact. energy: -1.256 local terms energy: -485.504804 where: bonds (distance) C4'-P energy: -93.343 bonds (distance) P-C4' energy: -95.195 flat angles C4'-P-C4' energy: -114.133 flat angles P-C4'-P energy: -66.748 tors. eta vs tors. theta energy: -116.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1274.248600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.248600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.248600 (E_RNA) where: Base-Base interactions energy: -834.418 where: short stacking energy: -360.578 Base-Backbone interact. energy: 0.597 local terms energy: -440.427485 where: bonds (distance) C4'-P energy: -81.939 bonds (distance) P-C4' energy: -92.748 flat angles C4'-P-C4' energy: -102.860 flat angles P-C4'-P energy: -59.146 tors. eta vs tors. theta energy: -103.735 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: 6, replica: 7 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1279.517028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.517028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.517028 (E_RNA) where: Base-Base interactions energy: -872.340 where: short stacking energy: -353.363 Base-Backbone interact. energy: 1.816 local terms energy: -408.993053 where: bonds (distance) C4'-P energy: -82.296 bonds (distance) P-C4' energy: -79.792 flat angles C4'-P-C4' energy: -94.657 flat angles P-C4'-P energy: -59.781 tors. eta vs tors. theta energy: -92.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1113.758025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.758025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.758025 (E_RNA) where: Base-Base interactions energy: -710.653 where: short stacking energy: -305.349 Base-Backbone interact. energy: -3.173 local terms energy: -399.932346 where: bonds (distance) C4'-P energy: -85.877 bonds (distance) P-C4' energy: -68.657 flat angles C4'-P-C4' energy: -97.607 flat angles P-C4'-P energy: -70.767 tors. eta vs tors. theta energy: -77.024 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: 8, replica: 9 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -721.529916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.529916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.529916 (E_RNA) where: Base-Base interactions energy: -416.711 where: short stacking energy: -195.204 Base-Backbone interact. energy: -0.429 local terms energy: -304.389608 where: bonds (distance) C4'-P energy: -69.018 bonds (distance) P-C4' energy: -87.891 flat angles C4'-P-C4' energy: -75.824 flat angles P-C4'-P energy: -52.663 tors. eta vs tors. theta energy: -18.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -700.347573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.347573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.347573 (E_RNA) where: Base-Base interactions energy: -398.113 where: short stacking energy: -193.955 Base-Backbone interact. energy: 4.274 local terms energy: -306.508672 where: bonds (distance) C4'-P energy: -78.156 bonds (distance) P-C4' energy: -86.031 flat angles C4'-P-C4' energy: -71.738 flat angles P-C4'-P energy: -50.296 tors. eta vs tors. theta energy: -20.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -379.596005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.596005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.596005 (E_RNA) where: Base-Base interactions energy: -103.013 where: short stacking energy: -89.615 Base-Backbone interact. energy: -0.184 local terms energy: -276.398532 where: bonds (distance) C4'-P energy: -78.077 bonds (distance) P-C4' energy: -93.317 flat angles C4'-P-C4' energy: -72.813 flat angles P-C4'-P energy: -47.659 tors. eta vs tors. theta energy: 15.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1669.603042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.603042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.603042 (E_RNA) where: Base-Base interactions energy: -1157.455 where: short stacking energy: -458.220 Base-Backbone interact. energy: 1.698 local terms energy: -513.845465 where: bonds (distance) C4'-P energy: -96.618 bonds (distance) P-C4' energy: -97.009 flat angles C4'-P-C4' energy: -109.937 flat angles P-C4'-P energy: -72.050 tors. eta vs tors. theta energy: -138.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1635.763486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.763486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.763486 (E_RNA) where: Base-Base interactions energy: -1126.882 where: short stacking energy: -465.547 Base-Backbone interact. energy: -1.774 local terms energy: -507.107086 where: bonds (distance) C4'-P energy: -101.094 bonds (distance) P-C4' energy: -91.363 flat angles C4'-P-C4' energy: -110.277 flat angles P-C4'-P energy: -69.534 tors. eta vs tors. theta energy: -134.839 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: 4 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1600.375245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.375245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.375245 (E_RNA) where: Base-Base interactions energy: -1115.364 where: short stacking energy: -445.504 Base-Backbone interact. energy: -2.828 local terms energy: -482.183000 where: bonds (distance) C4'-P energy: -90.830 bonds (distance) P-C4' energy: -88.633 flat angles C4'-P-C4' energy: -105.236 flat angles P-C4'-P energy: -67.022 tors. eta vs tors. theta energy: -130.463 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: 1 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1501.958934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.958934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.958934 (E_RNA) where: Base-Base interactions energy: -1023.809 where: short stacking energy: -422.459 Base-Backbone interact. energy: 1.130 local terms energy: -479.280026 where: bonds (distance) C4'-P energy: -93.233 bonds (distance) P-C4' energy: -95.138 flat angles C4'-P-C4' energy: -99.946 flat angles P-C4'-P energy: -71.776 tors. eta vs tors. theta energy: -119.187 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: 3 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1306.876665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.876665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.876665 (E_RNA) where: Base-Base interactions energy: -886.709 where: short stacking energy: -377.915 Base-Backbone interact. energy: -1.433 local terms energy: -418.735067 where: bonds (distance) C4'-P energy: -81.116 bonds (distance) P-C4' energy: -73.770 flat angles C4'-P-C4' energy: -90.704 flat angles P-C4'-P energy: -68.465 tors. eta vs tors. theta energy: -104.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1253.511828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.511828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.511828 (E_RNA) where: Base-Base interactions energy: -830.551 where: short stacking energy: -334.376 Base-Backbone interact. energy: -1.402 local terms energy: -421.558593 where: bonds (distance) C4'-P energy: -82.997 bonds (distance) P-C4' energy: -86.955 flat angles C4'-P-C4' energy: -94.742 flat angles P-C4'-P energy: -64.162 tors. eta vs tors. theta energy: -92.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1062.494340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.494340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.494340 (E_RNA) where: Base-Base interactions energy: -708.406 where: short stacking energy: -298.869 Base-Backbone interact. energy: -1.656 local terms energy: -352.431794 where: bonds (distance) C4'-P energy: -68.884 bonds (distance) P-C4' energy: -87.791 flat angles C4'-P-C4' energy: -82.667 flat angles P-C4'-P energy: -54.912 tors. eta vs tors. theta energy: -58.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -741.335194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.335194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.335194 (E_RNA) where: Base-Base interactions energy: -438.247 where: short stacking energy: -186.384 Base-Backbone interact. energy: -0.435 local terms energy: -302.654097 where: bonds (distance) C4'-P energy: -63.161 bonds (distance) P-C4' energy: -89.565 flat angles C4'-P-C4' energy: -85.530 flat angles P-C4'-P energy: -54.515 tors. eta vs tors. theta energy: -9.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -684.317794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.317794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.317794 (E_RNA) where: Base-Base interactions energy: -372.906 where: short stacking energy: -172.502 Base-Backbone interact. energy: -2.984 local terms energy: -308.428003 where: bonds (distance) C4'-P energy: -86.081 bonds (distance) P-C4' energy: -77.447 flat angles C4'-P-C4' energy: -65.020 flat angles P-C4'-P energy: -57.290 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: 10, replica: 8 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -391.728061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.728061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.728061 (E_RNA) where: Base-Base interactions energy: -125.242 where: short stacking energy: -106.225 Base-Backbone interact. energy: -0.808 local terms energy: -265.677949 where: bonds (distance) C4'-P energy: -78.258 bonds (distance) P-C4' energy: -91.588 flat angles C4'-P-C4' energy: -72.444 flat angles P-C4'-P energy: -25.573 tors. eta vs tors. theta energy: 2.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1670.964181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.964181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.964181 (E_RNA) where: Base-Base interactions energy: -1152.380 where: short stacking energy: -471.942 Base-Backbone interact. energy: 2.459 local terms energy: -521.043026 where: bonds (distance) C4'-P energy: -99.989 bonds (distance) P-C4' energy: -95.949 flat angles C4'-P-C4' energy: -105.711 flat angles P-C4'-P energy: -81.726 tors. eta vs tors. theta energy: -137.667 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: 2 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1619.827558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.827558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.827558 (E_RNA) where: Base-Base interactions energy: -1117.013 where: short stacking energy: -464.325 Base-Backbone interact. energy: -2.700 local terms energy: -500.113782 where: bonds (distance) C4'-P energy: -95.030 bonds (distance) P-C4' energy: -91.412 flat angles C4'-P-C4' energy: -110.496 flat angles P-C4'-P energy: -66.163 tors. eta vs tors. theta energy: -137.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1591.121662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.121662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.121662 (E_RNA) where: Base-Base interactions energy: -1137.255 where: short stacking energy: -455.207 Base-Backbone interact. energy: 0.107 local terms energy: -453.973116 where: bonds (distance) C4'-P energy: -74.833 bonds (distance) P-C4' energy: -87.491 flat angles C4'-P-C4' energy: -94.728 flat angles P-C4'-P energy: -65.416 tors. eta vs tors. theta energy: -131.505 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: 1 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1490.603697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.603697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.603697 (E_RNA) where: Base-Base interactions energy: -1035.907 where: short stacking energy: -421.877 Base-Backbone interact. energy: -0.590 local terms energy: -454.107089 where: bonds (distance) C4'-P energy: -89.168 bonds (distance) P-C4' energy: -89.833 flat angles C4'-P-C4' energy: -97.354 flat angles P-C4'-P energy: -58.667 tors. eta vs tors. theta energy: -119.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1328.287118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.287118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.287118 (E_RNA) where: Base-Base interactions energy: -883.439 where: short stacking energy: -374.824 Base-Backbone interact. energy: 0.362 local terms energy: -445.209594 where: bonds (distance) C4'-P energy: -87.086 bonds (distance) P-C4' energy: -82.683 flat angles C4'-P-C4' energy: -96.837 flat angles P-C4'-P energy: -67.138 tors. eta vs tors. theta energy: -111.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1277.378052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.378052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.378052 (E_RNA) where: Base-Base interactions energy: -871.129 where: short stacking energy: -374.531 Base-Backbone interact. energy: 6.515 local terms energy: -412.764046 where: bonds (distance) C4'-P energy: -85.516 bonds (distance) P-C4' energy: -89.598 flat angles C4'-P-C4' energy: -92.011 flat angles P-C4'-P energy: -44.115 tors. eta vs tors. theta energy: -101.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1075.085903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.085903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.085903 (E_RNA) where: Base-Base interactions energy: -695.444 where: short stacking energy: -290.783 Base-Backbone interact. energy: -1.535 local terms energy: -378.106181 where: bonds (distance) C4'-P energy: -69.658 bonds (distance) P-C4' energy: -100.197 flat angles C4'-P-C4' energy: -82.854 flat angles P-C4'-P energy: -58.043 tors. eta vs tors. theta energy: -67.355 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: 9 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -783.926976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.926976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.926976 (E_RNA) where: Base-Base interactions energy: -463.467 where: short stacking energy: -225.296 Base-Backbone interact. energy: 2.680 local terms energy: -323.140282 where: bonds (distance) C4'-P energy: -87.488 bonds (distance) P-C4' energy: -74.496 flat angles C4'-P-C4' energy: -95.903 flat angles P-C4'-P energy: -27.425 tors. eta vs tors. theta energy: -37.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -748.566426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.566426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.566426 (E_RNA) where: Base-Base interactions energy: -445.642 where: short stacking energy: -202.673 Base-Backbone interact. energy: -1.014 local terms energy: -301.909729 where: bonds (distance) C4'-P energy: -75.967 bonds (distance) P-C4' energy: -70.918 flat angles C4'-P-C4' energy: -88.084 flat angles P-C4'-P energy: -44.503 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: 10, replica: 8 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -393.100552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.100552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.100552 (E_RNA) where: Base-Base interactions energy: -129.823 where: short stacking energy: -102.558 Base-Backbone interact. energy: -2.068 local terms energy: -261.209748 where: bonds (distance) C4'-P energy: -82.460 bonds (distance) P-C4' energy: -75.931 flat angles C4'-P-C4' energy: -59.035 flat angles P-C4'-P energy: -38.601 tors. eta vs tors. theta energy: -5.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1676.854620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.854620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.854620 (E_RNA) where: Base-Base interactions energy: -1161.497 where: short stacking energy: -467.787 Base-Backbone interact. energy: 2.121 local terms energy: -517.478326 where: bonds (distance) C4'-P energy: -100.287 bonds (distance) P-C4' energy: -102.375 flat angles C4'-P-C4' energy: -101.150 flat angles P-C4'-P energy: -73.092 tors. eta vs tors. theta energy: -140.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1621.818999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.818999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.818999 (E_RNA) where: Base-Base interactions energy: -1135.422 where: short stacking energy: -454.132 Base-Backbone interact. energy: 0.046 local terms energy: -486.442961 where: bonds (distance) C4'-P energy: -97.118 bonds (distance) P-C4' energy: -67.629 flat angles C4'-P-C4' energy: -108.409 flat angles P-C4'-P energy: -77.451 tors. eta vs tors. theta energy: -135.836 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: 4 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1587.666534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.666534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.666534 (E_RNA) where: Base-Base interactions energy: -1100.865 where: short stacking energy: -458.423 Base-Backbone interact. energy: -0.756 local terms energy: -486.046197 where: bonds (distance) C4'-P energy: -88.861 bonds (distance) P-C4' energy: -92.672 flat angles C4'-P-C4' energy: -99.483 flat angles P-C4'-P energy: -75.847 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: 4, replica: 1 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1526.192862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.192862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.192862 (E_RNA) where: Base-Base interactions energy: -1035.984 where: short stacking energy: -425.486 Base-Backbone interact. energy: -3.746 local terms energy: -486.462833 where: bonds (distance) C4'-P energy: -88.340 bonds (distance) P-C4' energy: -94.592 flat angles C4'-P-C4' energy: -107.421 flat angles P-C4'-P energy: -67.023 tors. eta vs tors. theta energy: -129.087 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: 5, replica: 3 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1293.520554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.520554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.520554 (E_RNA) where: Base-Base interactions energy: -848.821 where: short stacking energy: -378.720 Base-Backbone interact. energy: 1.894 local terms energy: -446.593417 where: bonds (distance) C4'-P energy: -99.946 bonds (distance) P-C4' energy: -75.110 flat angles C4'-P-C4' energy: -101.429 flat angles P-C4'-P energy: -73.681 tors. eta vs tors. theta energy: -96.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1242.194064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.194064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.194064 (E_RNA) where: Base-Base interactions energy: -807.608 where: short stacking energy: -335.640 Base-Backbone interact. energy: 6.434 local terms energy: -441.020007 where: bonds (distance) C4'-P energy: -90.674 bonds (distance) P-C4' energy: -100.677 flat angles C4'-P-C4' energy: -97.674 flat angles P-C4'-P energy: -62.756 tors. eta vs tors. theta energy: -89.239 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: 5 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1115.218778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.218778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.218778 (E_RNA) where: Base-Base interactions energy: -719.639 where: short stacking energy: -330.510 Base-Backbone interact. energy: -0.056 local terms energy: -395.523263 where: bonds (distance) C4'-P energy: -79.008 bonds (distance) P-C4' energy: -87.477 flat angles C4'-P-C4' energy: -92.476 flat angles P-C4'-P energy: -61.059 tors. eta vs tors. theta energy: -75.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -787.613170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.613170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.613170 (E_RNA) where: Base-Base interactions energy: -472.356 where: short stacking energy: -210.146 Base-Backbone interact. energy: -1.045 local terms energy: -314.212143 where: bonds (distance) C4'-P energy: -75.419 bonds (distance) P-C4' energy: -85.558 flat angles C4'-P-C4' energy: -86.953 flat angles P-C4'-P energy: -43.859 tors. eta vs tors. theta energy: -22.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -710.892569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.892569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.892569 (E_RNA) where: Base-Base interactions energy: -393.881 where: short stacking energy: -200.029 Base-Backbone interact. energy: -0.837 local terms energy: -316.174613 where: bonds (distance) C4'-P energy: -88.017 bonds (distance) P-C4' energy: -75.634 flat angles C4'-P-C4' energy: -78.295 flat angles P-C4'-P energy: -46.869 tors. eta vs tors. theta energy: -27.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -367.663124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.663124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.663124 (E_RNA) where: Base-Base interactions energy: -97.914 where: short stacking energy: -74.194 Base-Backbone interact. energy: 2.167 local terms energy: -271.916173 where: bonds (distance) C4'-P energy: -70.228 bonds (distance) P-C4' energy: -88.673 flat angles C4'-P-C4' energy: -73.202 flat angles P-C4'-P energy: -49.350 tors. eta vs tors. theta energy: 9.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1685.189279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.189279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.189279 (E_RNA) where: Base-Base interactions energy: -1179.067 where: short stacking energy: -480.866 Base-Backbone interact. energy: -1.015 local terms energy: -505.107295 where: bonds (distance) C4'-P energy: -90.809 bonds (distance) P-C4' energy: -99.133 flat angles C4'-P-C4' energy: -100.787 flat angles P-C4'-P energy: -73.786 tors. eta vs tors. theta energy: -140.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1609.535494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.535494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.535494 (E_RNA) where: Base-Base interactions energy: -1125.836 where: short stacking energy: -459.144 Base-Backbone interact. energy: -3.301 local terms energy: -480.399019 where: bonds (distance) C4'-P energy: -83.834 bonds (distance) P-C4' energy: -87.444 flat angles C4'-P-C4' energy: -109.247 flat angles P-C4'-P energy: -65.689 tors. eta vs tors. theta energy: -134.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1574.175604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.175604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.175604 (E_RNA) where: Base-Base interactions energy: -1085.538 where: short stacking energy: -462.897 Base-Backbone interact. energy: -0.268 local terms energy: -488.369141 where: bonds (distance) C4'-P energy: -86.922 bonds (distance) P-C4' energy: -95.383 flat angles C4'-P-C4' energy: -105.911 flat angles P-C4'-P energy: -70.146 tors. eta vs tors. theta energy: -130.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1536.639143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.639143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.639143 (E_RNA) where: Base-Base interactions energy: -1068.301 where: short stacking energy: -440.965 Base-Backbone interact. energy: -1.416 local terms energy: -466.922401 where: bonds (distance) C4'-P energy: -93.101 bonds (distance) P-C4' energy: -80.057 flat angles C4'-P-C4' energy: -100.459 flat angles P-C4'-P energy: -70.819 tors. eta vs tors. theta energy: -122.486 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: 5, replica: 3 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1327.402404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.402404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.402404 (E_RNA) where: Base-Base interactions energy: -886.009 where: short stacking energy: -388.578 Base-Backbone interact. energy: -3.000 local terms energy: -438.393131 where: bonds (distance) C4'-P energy: -92.370 bonds (distance) P-C4' energy: -95.630 flat angles C4'-P-C4' energy: -95.985 flat angles P-C4'-P energy: -56.813 tors. eta vs tors. theta energy: -97.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1242.113942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.113942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.113942 (E_RNA) where: Base-Base interactions energy: -850.270 where: short stacking energy: -343.671 Base-Backbone interact. energy: -1.897 local terms energy: -389.946607 where: bonds (distance) C4'-P energy: -86.941 bonds (distance) P-C4' energy: -81.591 flat angles C4'-P-C4' energy: -94.637 flat angles P-C4'-P energy: -52.252 tors. eta vs tors. theta energy: -74.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1027.169880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.169880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.169880 (E_RNA) where: Base-Base interactions energy: -648.733 where: short stacking energy: -288.347 Base-Backbone interact. energy: 0.408 local terms energy: -378.845015 where: bonds (distance) C4'-P energy: -77.460 bonds (distance) P-C4' energy: -89.971 flat angles C4'-P-C4' energy: -97.386 flat angles P-C4'-P energy: -53.772 tors. eta vs tors. theta energy: -60.256 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: 9 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -779.267680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.267680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.267680 (E_RNA) where: Base-Base interactions energy: -450.755 where: short stacking energy: -219.447 Base-Backbone interact. energy: 3.126 local terms energy: -331.638616 where: bonds (distance) C4'-P energy: -85.250 bonds (distance) P-C4' energy: -72.334 flat angles C4'-P-C4' energy: -78.809 flat angles P-C4'-P energy: -55.064 tors. eta vs tors. theta energy: -40.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -692.687028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.687028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.687028 (E_RNA) where: Base-Base interactions energy: -389.388 where: short stacking energy: -202.568 Base-Backbone interact. energy: -1.395 local terms energy: -301.903472 where: bonds (distance) C4'-P energy: -83.461 bonds (distance) P-C4' energy: -83.408 flat angles C4'-P-C4' energy: -67.107 flat angles P-C4'-P energy: -24.257 tors. eta vs tors. theta energy: -43.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -376.693840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.693840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.693840 (E_RNA) where: Base-Base interactions energy: -144.412 where: short stacking energy: -119.082 Base-Backbone interact. energy: 9.219 local terms energy: -241.501180 where: bonds (distance) C4'-P energy: -80.572 bonds (distance) P-C4' energy: -81.007 flat angles C4'-P-C4' energy: -59.149 flat angles P-C4'-P energy: -41.257 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: 1, replica: 6 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1675.936063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.936063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.936063 (E_RNA) where: Base-Base interactions energy: -1162.970 where: short stacking energy: -482.196 Base-Backbone interact. energy: -1.064 local terms energy: -511.902441 where: bonds (distance) C4'-P energy: -92.620 bonds (distance) P-C4' energy: -86.252 flat angles C4'-P-C4' energy: -108.646 flat angles P-C4'-P energy: -75.426 tors. eta vs tors. theta energy: -148.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1636.315902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.315902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.315902 (E_RNA) where: Base-Base interactions energy: -1129.487 where: short stacking energy: -468.425 Base-Backbone interact. energy: 3.016 local terms energy: -509.845190 where: bonds (distance) C4'-P energy: -96.903 bonds (distance) P-C4' energy: -93.378 flat angles C4'-P-C4' energy: -107.423 flat angles P-C4'-P energy: -75.130 tors. eta vs tors. theta energy: -137.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1569.101999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.101999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.101999 (E_RNA) where: Base-Base interactions energy: -1084.965 where: short stacking energy: -440.573 Base-Backbone interact. energy: 1.157 local terms energy: -485.294074 where: bonds (distance) C4'-P energy: -97.393 bonds (distance) P-C4' energy: -97.716 flat angles C4'-P-C4' energy: -90.514 flat angles P-C4'-P energy: -70.584 tors. eta vs tors. theta energy: -129.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1567.192643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.192643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.192643 (E_RNA) where: Base-Base interactions energy: -1083.746 where: short stacking energy: -443.931 Base-Backbone interact. energy: -3.490 local terms energy: -479.956561 where: bonds (distance) C4'-P energy: -90.946 bonds (distance) P-C4' energy: -93.183 flat angles C4'-P-C4' energy: -100.717 flat angles P-C4'-P energy: -68.976 tors. eta vs tors. theta energy: -126.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1333.853414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.853414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.853414 (E_RNA) where: Base-Base interactions energy: -891.636 where: short stacking energy: -389.251 Base-Backbone interact. energy: 0.906 local terms energy: -443.123279 where: bonds (distance) C4'-P energy: -77.912 bonds (distance) P-C4' energy: -81.637 flat angles C4'-P-C4' energy: -111.120 flat angles P-C4'-P energy: -63.618 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: 6, replica: 7 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1259.080838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.080838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.080838 (E_RNA) where: Base-Base interactions energy: -824.396 where: short stacking energy: -320.857 Base-Backbone interact. energy: -3.599 local terms energy: -431.086242 where: bonds (distance) C4'-P energy: -88.208 bonds (distance) P-C4' energy: -96.990 flat angles C4'-P-C4' energy: -79.968 flat angles P-C4'-P energy: -66.799 tors. eta vs tors. theta energy: -99.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1034.412310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.412310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.412310 (E_RNA) where: Base-Base interactions energy: -623.748 where: short stacking energy: -303.410 Base-Backbone interact. energy: -1.441 local terms energy: -409.223405 where: bonds (distance) C4'-P energy: -90.200 bonds (distance) P-C4' energy: -90.669 flat angles C4'-P-C4' energy: -88.124 flat angles P-C4'-P energy: -56.351 tors. eta vs tors. theta energy: -83.880 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: 8, replica: 9 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -799.905281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.905281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.905281 (E_RNA) where: Base-Base interactions energy: -468.903 where: short stacking energy: -235.377 Base-Backbone interact. energy: -1.088 local terms energy: -329.914518 where: bonds (distance) C4'-P energy: -84.361 bonds (distance) P-C4' energy: -90.908 flat angles C4'-P-C4' energy: -71.935 flat angles P-C4'-P energy: -43.395 tors. eta vs tors. theta energy: -39.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -717.120240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.120240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.120240 (E_RNA) where: Base-Base interactions energy: -430.526 where: short stacking energy: -185.960 Base-Backbone interact. energy: -0.372 local terms energy: -286.222164 where: bonds (distance) C4'-P energy: -76.846 bonds (distance) P-C4' energy: -80.739 flat angles C4'-P-C4' energy: -60.174 flat angles P-C4'-P energy: -51.504 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: 10, replica: 8 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -370.395351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.395351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.395351 (E_RNA) where: Base-Base interactions energy: -127.842 where: short stacking energy: -111.639 Base-Backbone interact. energy: 0.089 local terms energy: -242.643271 where: bonds (distance) C4'-P energy: -83.529 bonds (distance) P-C4' energy: -65.133 flat angles C4'-P-C4' energy: -65.020 flat angles P-C4'-P energy: -41.685 tors. eta vs tors. theta energy: 12.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1712.529374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.529374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.529374 (E_RNA) where: Base-Base interactions energy: -1165.554 where: short stacking energy: -468.928 Base-Backbone interact. energy: -1.988 local terms energy: -544.988048 where: bonds (distance) C4'-P energy: -99.098 bonds (distance) P-C4' energy: -101.509 flat angles C4'-P-C4' energy: -120.601 flat angles P-C4'-P energy: -75.310 tors. eta vs tors. theta energy: -148.471 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: 2, replica: 2 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1618.686948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.686948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.686948 (E_RNA) where: Base-Base interactions energy: -1110.994 where: short stacking energy: -455.760 Base-Backbone interact. energy: -1.697 local terms energy: -505.995620 where: bonds (distance) C4'-P energy: -91.841 bonds (distance) P-C4' energy: -95.576 flat angles C4'-P-C4' energy: -113.507 flat angles P-C4'-P energy: -68.400 tors. eta vs tors. theta energy: -136.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1586.278764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.278764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.278764 (E_RNA) where: Base-Base interactions energy: -1104.536 where: short stacking energy: -463.939 Base-Backbone interact. energy: 0.308 local terms energy: -482.051403 where: bonds (distance) C4'-P energy: -82.557 bonds (distance) P-C4' energy: -85.013 flat angles C4'-P-C4' energy: -110.722 flat angles P-C4'-P energy: -72.009 tors. eta vs tors. theta energy: -131.751 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: 1 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1522.036911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.036911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.036911 (E_RNA) where: Base-Base interactions energy: -1044.555 where: short stacking energy: -418.179 Base-Backbone interact. energy: -1.442 local terms energy: -476.039960 where: bonds (distance) C4'-P energy: -94.506 bonds (distance) P-C4' energy: -86.295 flat angles C4'-P-C4' energy: -102.207 flat angles P-C4'-P energy: -75.345 tors. eta vs tors. theta energy: -117.686 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: 3 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1363.248365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.248365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.248365 (E_RNA) where: Base-Base interactions energy: -916.388 where: short stacking energy: -399.555 Base-Backbone interact. energy: -1.629 local terms energy: -445.231662 where: bonds (distance) C4'-P energy: -70.845 bonds (distance) P-C4' energy: -98.924 flat angles C4'-P-C4' energy: -99.463 flat angles P-C4'-P energy: -66.483 tors. eta vs tors. theta energy: -109.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1224.307739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.307739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.307739 (E_RNA) where: Base-Base interactions energy: -809.169 where: short stacking energy: -339.800 Base-Backbone interact. energy: 1.322 local terms energy: -416.461255 where: bonds (distance) C4'-P energy: -89.032 bonds (distance) P-C4' energy: -84.053 flat angles C4'-P-C4' energy: -98.228 flat angles P-C4'-P energy: -50.894 tors. eta vs tors. theta energy: -94.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1020.991679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.991679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.991679 (E_RNA) where: Base-Base interactions energy: -665.883 where: short stacking energy: -300.896 Base-Backbone interact. energy: -0.639 local terms energy: -354.469736 where: bonds (distance) C4'-P energy: -81.136 bonds (distance) P-C4' energy: -87.049 flat angles C4'-P-C4' energy: -77.227 flat angles P-C4'-P energy: -38.815 tors. eta vs tors. theta energy: -70.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -799.105077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.105077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.105077 (E_RNA) where: Base-Base interactions energy: -486.300 where: short stacking energy: -238.680 Base-Backbone interact. energy: -2.042 local terms energy: -310.763632 where: bonds (distance) C4'-P energy: -70.791 bonds (distance) P-C4' energy: -78.502 flat angles C4'-P-C4' energy: -75.817 flat angles P-C4'-P energy: -44.692 tors. eta vs tors. theta energy: -40.962 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: 10 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -704.607818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.607818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.607818 (E_RNA) where: Base-Base interactions energy: -398.588 where: short stacking energy: -189.080 Base-Backbone interact. energy: -0.433 local terms energy: -305.586896 where: bonds (distance) C4'-P energy: -86.116 bonds (distance) P-C4' energy: -63.808 flat angles C4'-P-C4' energy: -75.403 flat angles P-C4'-P energy: -44.624 tors. eta vs tors. theta energy: -35.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -386.542880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.542880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.542880 (E_RNA) where: Base-Base interactions energy: -133.372 where: short stacking energy: -118.744 Base-Backbone interact. energy: 3.027 local terms energy: -256.198416 where: bonds (distance) C4'-P energy: -74.560 bonds (distance) P-C4' energy: -77.051 flat angles C4'-P-C4' energy: -67.979 flat angles P-C4'-P energy: -46.055 tors. eta vs tors. theta energy: 9.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1704.842289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.842289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.842289 (E_RNA) where: Base-Base interactions energy: -1160.659 where: short stacking energy: -505.602 Base-Backbone interact. energy: -1.418 local terms energy: -542.765244 where: bonds (distance) C4'-P energy: -96.372 bonds (distance) P-C4' energy: -92.460 flat angles C4'-P-C4' energy: -115.680 flat angles P-C4'-P energy: -78.407 tors. eta vs tors. theta energy: -159.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1643.980056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.980056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.980056 (E_RNA) where: Base-Base interactions energy: -1123.982 where: short stacking energy: -472.702 Base-Backbone interact. energy: 0.191 local terms energy: -520.189343 where: bonds (distance) C4'-P energy: -97.159 bonds (distance) P-C4' energy: -97.529 flat angles C4'-P-C4' energy: -114.573 flat angles P-C4'-P energy: -72.668 tors. eta vs tors. theta energy: -138.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1574.490185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.490185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.490185 (E_RNA) where: Base-Base interactions energy: -1084.511 where: short stacking energy: -432.547 Base-Backbone interact. energy: -4.496 local terms energy: -485.483295 where: bonds (distance) C4'-P energy: -88.018 bonds (distance) P-C4' energy: -90.655 flat angles C4'-P-C4' energy: -103.570 flat angles P-C4'-P energy: -78.729 tors. eta vs tors. theta energy: -124.511 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: 1 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1531.219376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.219376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.219376 (E_RNA) where: Base-Base interactions energy: -1059.107 where: short stacking energy: -415.195 Base-Backbone interact. energy: 1.478 local terms energy: -473.590174 where: bonds (distance) C4'-P energy: -80.917 bonds (distance) P-C4' energy: -93.642 flat angles C4'-P-C4' energy: -98.115 flat angles P-C4'-P energy: -72.012 tors. eta vs tors. theta energy: -128.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1331.005374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.005374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.005374 (E_RNA) where: Base-Base interactions energy: -897.242 where: short stacking energy: -395.146 Base-Backbone interact. energy: 2.175 local terms energy: -435.937956 where: bonds (distance) C4'-P energy: -77.390 bonds (distance) P-C4' energy: -84.657 flat angles C4'-P-C4' energy: -102.048 flat angles P-C4'-P energy: -65.526 tors. eta vs tors. theta energy: -106.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1286.470813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.470813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.470813 (E_RNA) where: Base-Base interactions energy: -869.825 where: short stacking energy: -358.561 Base-Backbone interact. energy: 0.032 local terms energy: -416.677803 where: bonds (distance) C4'-P energy: -76.242 bonds (distance) P-C4' energy: -83.566 flat angles C4'-P-C4' energy: -94.422 flat angles P-C4'-P energy: -67.972 tors. eta vs tors. theta energy: -94.476 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: 5 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1018.127678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.127678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.127678 (E_RNA) where: Base-Base interactions energy: -649.443 where: short stacking energy: -304.024 Base-Backbone interact. energy: 1.728 local terms energy: -370.412872 where: bonds (distance) C4'-P energy: -71.580 bonds (distance) P-C4' energy: -96.355 flat angles C4'-P-C4' energy: -84.039 flat angles P-C4'-P energy: -43.779 tors. eta vs tors. theta energy: -74.660 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: 9 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -814.978395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.978395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.978395 (E_RNA) where: Base-Base interactions energy: -492.917 where: short stacking energy: -231.391 Base-Backbone interact. energy: -3.138 local terms energy: -318.923911 where: bonds (distance) C4'-P energy: -89.892 bonds (distance) P-C4' energy: -77.656 flat angles C4'-P-C4' energy: -77.256 flat angles P-C4'-P energy: -42.317 tors. eta vs tors. theta energy: -31.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -733.895486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.895486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.895486 (E_RNA) where: Base-Base interactions energy: -432.168 where: short stacking energy: -204.327 Base-Backbone interact. energy: -1.613 local terms energy: -300.114191 where: bonds (distance) C4'-P energy: -86.910 bonds (distance) P-C4' energy: -75.229 flat angles C4'-P-C4' energy: -67.202 flat angles P-C4'-P energy: -34.744 tors. eta vs tors. theta energy: -36.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -368.148325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.148325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.148325 (E_RNA) where: Base-Base interactions energy: -111.516 where: short stacking energy: -107.952 Base-Backbone interact. energy: -1.153 local terms energy: -255.478789 where: bonds (distance) C4'-P energy: -85.729 bonds (distance) P-C4' energy: -74.972 flat angles C4'-P-C4' energy: -69.760 flat angles P-C4'-P energy: -29.243 tors. eta vs tors. theta energy: 4.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1703.725357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.725357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.725357 (E_RNA) where: Base-Base interactions energy: -1182.627 where: short stacking energy: -474.520 Base-Backbone interact. energy: -1.379 local terms energy: -519.719658 where: bonds (distance) C4'-P energy: -102.219 bonds (distance) P-C4' energy: -95.099 flat angles C4'-P-C4' energy: -105.798 flat angles P-C4'-P energy: -74.747 tors. eta vs tors. theta energy: -141.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1617.648267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.648267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.648267 (E_RNA) where: Base-Base interactions energy: -1120.216 where: short stacking energy: -464.055 Base-Backbone interact. energy: -1.148 local terms energy: -496.283713 where: bonds (distance) C4'-P energy: -95.077 bonds (distance) P-C4' energy: -91.771 flat angles C4'-P-C4' energy: -100.151 flat angles P-C4'-P energy: -74.121 tors. eta vs tors. theta energy: -135.164 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: 1 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -1558.195949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.195949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.195949 (E_RNA) where: Base-Base interactions energy: -1088.368 where: short stacking energy: -414.802 Base-Backbone interact. energy: -1.208 local terms energy: -468.620459 where: bonds (distance) C4'-P energy: -77.141 bonds (distance) P-C4' energy: -96.445 flat angles C4'-P-C4' energy: -103.739 flat angles P-C4'-P energy: -70.666 tors. eta vs tors. theta energy: -120.629 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: 4 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1550.723904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.723904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.723904 (E_RNA) where: Base-Base interactions energy: -1071.043 where: short stacking energy: -422.980 Base-Backbone interact. energy: -0.133 local terms energy: -479.548574 where: bonds (distance) C4'-P energy: -90.715 bonds (distance) P-C4' energy: -89.423 flat angles C4'-P-C4' energy: -103.025 flat angles P-C4'-P energy: -65.940 tors. eta vs tors. theta energy: -130.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1340.391725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.391725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.391725 (E_RNA) where: Base-Base interactions energy: -906.929 where: short stacking energy: -414.177 Base-Backbone interact. energy: -0.585 local terms energy: -432.877222 where: bonds (distance) C4'-P energy: -84.859 bonds (distance) P-C4' energy: -92.723 flat angles C4'-P-C4' energy: -87.582 flat angles P-C4'-P energy: -56.272 tors. eta vs tors. theta energy: -111.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1253.548463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.548463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.548463 (E_RNA) where: Base-Base interactions energy: -842.576 where: short stacking energy: -358.841 Base-Backbone interact. energy: 0.022 local terms energy: -410.994819 where: bonds (distance) C4'-P energy: -83.434 bonds (distance) P-C4' energy: -74.063 flat angles C4'-P-C4' energy: -86.876 flat angles P-C4'-P energy: -64.923 tors. eta vs tors. theta energy: -101.699 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: 5 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1037.249553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.249553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.249553 (E_RNA) where: Base-Base interactions energy: -664.015 where: short stacking energy: -314.791 Base-Backbone interact. energy: 0.615 local terms energy: -373.850333 where: bonds (distance) C4'-P energy: -73.409 bonds (distance) P-C4' energy: -85.030 flat angles C4'-P-C4' energy: -96.349 flat angles P-C4'-P energy: -52.650 tors. eta vs tors. theta energy: -66.412 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: 9 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -797.087812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.087812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.087812 (E_RNA) where: Base-Base interactions energy: -487.160 where: short stacking energy: -237.655 Base-Backbone interact. energy: 2.178 local terms energy: -312.105893 where: bonds (distance) C4'-P energy: -77.677 bonds (distance) P-C4' energy: -74.339 flat angles C4'-P-C4' energy: -74.452 flat angles P-C4'-P energy: -52.555 tors. eta vs tors. theta energy: -33.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -705.125142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.125142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.125142 (E_RNA) where: Base-Base interactions energy: -404.618 where: short stacking energy: -194.973 Base-Backbone interact. energy: 1.778 local terms energy: -302.284354 where: bonds (distance) C4'-P energy: -85.487 bonds (distance) P-C4' energy: -69.468 flat angles C4'-P-C4' energy: -83.350 flat angles P-C4'-P energy: -48.880 tors. eta vs tors. theta energy: -15.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -369.158366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.158366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.158366 (E_RNA) where: Base-Base interactions energy: -125.471 where: short stacking energy: -116.532 Base-Backbone interact. energy: 3.868 local terms energy: -247.555786 where: bonds (distance) C4'-P energy: -76.806 bonds (distance) P-C4' energy: -72.557 flat angles C4'-P-C4' energy: -65.680 flat angles P-C4'-P energy: -44.158 tors. eta vs tors. theta energy: 11.646 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: 6 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1699.945094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.945094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.945094 (E_RNA) where: Base-Base interactions energy: -1172.797 where: short stacking energy: -475.058 Base-Backbone interact. energy: 0.058 local terms energy: -527.206497 where: bonds (distance) C4'-P energy: -91.348 bonds (distance) P-C4' energy: -96.047 flat angles C4'-P-C4' energy: -116.115 flat angles P-C4'-P energy: -73.561 tors. eta vs tors. theta energy: -150.136 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: 2 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1646.760313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.760313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.760313 (E_RNA) where: Base-Base interactions energy: -1124.306 where: short stacking energy: -479.373 Base-Backbone interact. energy: -2.372 local terms energy: -520.082278 where: bonds (distance) C4'-P energy: -97.120 bonds (distance) P-C4' energy: -103.181 flat angles C4'-P-C4' energy: -117.608 flat angles P-C4'-P energy: -59.323 tors. eta vs tors. theta energy: -142.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1602.501447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.501447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.501447 (E_RNA) where: Base-Base interactions energy: -1123.958 where: short stacking energy: -443.983 Base-Backbone interact. energy: -1.772 local terms energy: -476.771401 where: bonds (distance) C4'-P energy: -91.230 bonds (distance) P-C4' energy: -91.520 flat angles C4'-P-C4' energy: -103.950 flat angles P-C4'-P energy: -63.346 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: 4, replica: 4 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1524.926934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.926934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.926934 (E_RNA) where: Base-Base interactions energy: -1061.600 where: short stacking energy: -437.777 Base-Backbone interact. energy: -1.079 local terms energy: -462.247260 where: bonds (distance) C4'-P energy: -82.917 bonds (distance) P-C4' energy: -91.849 flat angles C4'-P-C4' energy: -108.337 flat angles P-C4'-P energy: -61.542 tors. eta vs tors. theta energy: -117.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1372.498710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.498710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.498710 (E_RNA) where: Base-Base interactions energy: -944.359 where: short stacking energy: -395.227 Base-Backbone interact. energy: -2.178 local terms energy: -425.961283 where: bonds (distance) C4'-P energy: -75.399 bonds (distance) P-C4' energy: -82.265 flat angles C4'-P-C4' energy: -92.135 flat angles P-C4'-P energy: -71.937 tors. eta vs tors. theta energy: -104.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1270.237336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.237336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.237336 (E_RNA) where: Base-Base interactions energy: -865.493 where: short stacking energy: -352.893 Base-Backbone interact. energy: -4.915 local terms energy: -399.829565 where: bonds (distance) C4'-P energy: -69.388 bonds (distance) P-C4' energy: -85.925 flat angles C4'-P-C4' energy: -96.939 flat angles P-C4'-P energy: -60.616 tors. eta vs tors. theta energy: -86.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1062.244751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.244751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.244751 (E_RNA) where: Base-Base interactions energy: -677.749 where: short stacking energy: -271.672 Base-Backbone interact. energy: 0.218 local terms energy: -384.714301 where: bonds (distance) C4'-P energy: -89.739 bonds (distance) P-C4' energy: -92.230 flat angles C4'-P-C4' energy: -83.638 flat angles P-C4'-P energy: -48.085 tors. eta vs tors. theta energy: -71.022 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: 9 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -822.343936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.343936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.343936 (E_RNA) where: Base-Base interactions energy: -482.209 where: short stacking energy: -235.401 Base-Backbone interact. energy: -1.180 local terms energy: -338.955176 where: bonds (distance) C4'-P energy: -86.648 bonds (distance) P-C4' energy: -89.153 flat angles C4'-P-C4' energy: -72.384 flat angles P-C4'-P energy: -40.559 tors. eta vs tors. theta energy: -50.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -714.461821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.461821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.461821 (E_RNA) where: Base-Base interactions energy: -400.666 where: short stacking energy: -201.841 Base-Backbone interact. energy: 3.091 local terms energy: -316.886616 where: bonds (distance) C4'-P energy: -90.860 bonds (distance) P-C4' energy: -72.370 flat angles C4'-P-C4' energy: -77.431 flat angles P-C4'-P energy: -52.448 tors. eta vs tors. theta energy: -23.777 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: 53 Temperature: 1.350000 Total energy: -363.331236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.331236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.331236 (E_RNA) where: Base-Base interactions energy: -113.192 where: short stacking energy: -79.291 Base-Backbone interact. energy: 2.417 local terms energy: -252.556133 where: bonds (distance) C4'-P energy: -90.409 bonds (distance) P-C4' energy: -84.554 flat angles C4'-P-C4' energy: -54.974 flat angles P-C4'-P energy: -42.906 tors. eta vs tors. theta energy: 20.287 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: 6 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1727.215567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.215567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.215567 (E_RNA) where: Base-Base interactions energy: -1192.723 where: short stacking energy: -490.257 Base-Backbone interact. energy: 0.436 local terms energy: -534.928475 where: bonds (distance) C4'-P energy: -107.576 bonds (distance) P-C4' energy: -87.153 flat angles C4'-P-C4' energy: -111.057 flat angles P-C4'-P energy: -77.484 tors. eta vs tors. theta energy: -151.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1620.519363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.519363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.519363 (E_RNA) where: Base-Base interactions energy: -1135.290 where: short stacking energy: -461.195 Base-Backbone interact. energy: 1.948 local terms energy: -487.177303 where: bonds (distance) C4'-P energy: -78.585 bonds (distance) P-C4' energy: -92.949 flat angles C4'-P-C4' energy: -106.013 flat angles P-C4'-P energy: -75.352 tors. eta vs tors. theta energy: -134.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1560.506840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.506840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.506840 (E_RNA) where: Base-Base interactions energy: -1067.200 where: short stacking energy: -440.659 Base-Backbone interact. energy: -0.570 local terms energy: -492.736869 where: bonds (distance) C4'-P energy: -94.783 bonds (distance) P-C4' energy: -90.361 flat angles C4'-P-C4' energy: -105.792 flat angles P-C4'-P energy: -71.544 tors. eta vs tors. theta energy: -130.256 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: 4 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1552.249448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.249448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.249448 (E_RNA) where: Base-Base interactions energy: -1075.097 where: short stacking energy: -426.757 Base-Backbone interact. energy: -0.719 local terms energy: -476.433383 where: bonds (distance) C4'-P energy: -93.254 bonds (distance) P-C4' energy: -88.353 flat angles C4'-P-C4' energy: -101.260 flat angles P-C4'-P energy: -67.241 tors. eta vs tors. theta energy: -126.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1389.300231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.300231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.300231 (E_RNA) where: Base-Base interactions energy: -923.081 where: short stacking energy: -400.849 Base-Backbone interact. energy: -0.914 local terms energy: -465.304524 where: bonds (distance) C4'-P energy: -86.546 bonds (distance) P-C4' energy: -92.854 flat angles C4'-P-C4' energy: -101.490 flat angles P-C4'-P energy: -70.189 tors. eta vs tors. theta energy: -114.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1236.211666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.211666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.211666 (E_RNA) where: Base-Base interactions energy: -825.596 where: short stacking energy: -339.832 Base-Backbone interact. energy: -2.995 local terms energy: -407.620853 where: bonds (distance) C4'-P energy: -75.831 bonds (distance) P-C4' energy: -83.975 flat angles C4'-P-C4' energy: -96.528 flat angles P-C4'-P energy: -54.766 tors. eta vs tors. theta energy: -96.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1032.529343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.529343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.529343 (E_RNA) where: Base-Base interactions energy: -662.184 where: short stacking energy: -295.293 Base-Backbone interact. energy: -3.001 local terms energy: -367.345061 where: bonds (distance) C4'-P energy: -88.899 bonds (distance) P-C4' energy: -72.317 flat angles C4'-P-C4' energy: -93.015 flat angles P-C4'-P energy: -49.775 tors. eta vs tors. theta energy: -63.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -793.990154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.990154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.990154 (E_RNA) where: Base-Base interactions energy: -473.393 where: short stacking energy: -246.187 Base-Backbone interact. energy: 3.012 local terms energy: -323.608882 where: bonds (distance) C4'-P energy: -84.324 bonds (distance) P-C4' energy: -72.171 flat angles C4'-P-C4' energy: -71.798 flat angles P-C4'-P energy: -53.315 tors. eta vs tors. theta energy: -42.001 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: 10 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -751.769523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.769523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.769523 (E_RNA) where: Base-Base interactions energy: -427.707 where: short stacking energy: -211.568 Base-Backbone interact. energy: -0.928 local terms energy: -323.134834 where: bonds (distance) C4'-P energy: -72.572 bonds (distance) P-C4' energy: -86.258 flat angles C4'-P-C4' energy: -80.170 flat angles P-C4'-P energy: -62.972 tors. eta vs tors. theta energy: -21.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -367.568855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.568855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.568855 (E_RNA) where: Base-Base interactions energy: -121.699 where: short stacking energy: -102.489 Base-Backbone interact. energy: -0.441 local terms energy: -245.429368 where: bonds (distance) C4'-P energy: -82.154 bonds (distance) P-C4' energy: -74.186 flat angles C4'-P-C4' energy: -59.668 flat angles P-C4'-P energy: -48.602 tors. eta vs tors. theta energy: 19.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1708.844147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.844147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.844147 (E_RNA) where: Base-Base interactions energy: -1185.293 where: short stacking energy: -489.533 Base-Backbone interact. energy: 1.068 local terms energy: -524.619265 where: bonds (distance) C4'-P energy: -94.721 bonds (distance) P-C4' energy: -104.914 flat angles C4'-P-C4' energy: -105.129 flat angles P-C4'-P energy: -75.928 tors. eta vs tors. theta energy: -143.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1613.701115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.701115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.701115 (E_RNA) where: Base-Base interactions energy: -1102.645 where: short stacking energy: -459.798 Base-Backbone interact. energy: -0.738 local terms energy: -510.318766 where: bonds (distance) C4'-P energy: -93.573 bonds (distance) P-C4' energy: -96.747 flat angles C4'-P-C4' energy: -106.086 flat angles P-C4'-P energy: -74.441 tors. eta vs tors. theta energy: -139.473 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: 2 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1574.141223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.141223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.141223 (E_RNA) where: Base-Base interactions energy: -1093.769 where: short stacking energy: -433.208 Base-Backbone interact. energy: -2.920 local terms energy: -477.451489 where: bonds (distance) C4'-P energy: -92.920 bonds (distance) P-C4' energy: -90.004 flat angles C4'-P-C4' energy: -95.429 flat angles P-C4'-P energy: -71.564 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: 4, replica: 4 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1570.393726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.393726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.393726 (E_RNA) where: Base-Base interactions energy: -1104.062 where: short stacking energy: -446.345 Base-Backbone interact. energy: 4.459 local terms energy: -470.790581 where: bonds (distance) C4'-P energy: -74.117 bonds (distance) P-C4' energy: -102.515 flat angles C4'-P-C4' energy: -98.935 flat angles P-C4'-P energy: -64.461 tors. eta vs tors. theta energy: -130.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1377.220488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.220488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.220488 (E_RNA) where: Base-Base interactions energy: -938.777 where: short stacking energy: -415.002 Base-Backbone interact. energy: 0.483 local terms energy: -438.926530 where: bonds (distance) C4'-P energy: -92.902 bonds (distance) P-C4' energy: -79.941 flat angles C4'-P-C4' energy: -103.114 flat angles P-C4'-P energy: -52.869 tors. eta vs tors. theta energy: -110.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1263.110215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.110215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.110215 (E_RNA) where: Base-Base interactions energy: -871.075 where: short stacking energy: -339.466 Base-Backbone interact. energy: -0.943 local terms energy: -391.092102 where: bonds (distance) C4'-P energy: -81.203 bonds (distance) P-C4' energy: -73.318 flat angles C4'-P-C4' energy: -93.772 flat angles P-C4'-P energy: -53.093 tors. eta vs tors. theta energy: -89.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -993.084621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.084621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.084621 (E_RNA) where: Base-Base interactions energy: -617.496 where: short stacking energy: -292.566 Base-Backbone interact. energy: 1.015 local terms energy: -376.602824 where: bonds (distance) C4'-P energy: -74.838 bonds (distance) P-C4' energy: -86.053 flat angles C4'-P-C4' energy: -95.128 flat angles P-C4'-P energy: -57.943 tors. eta vs tors. theta energy: -62.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -806.193501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.193501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.193501 (E_RNA) where: Base-Base interactions energy: -481.444 where: short stacking energy: -207.495 Base-Backbone interact. energy: -0.025 local terms energy: -324.724703 where: bonds (distance) C4'-P energy: -83.834 bonds (distance) P-C4' energy: -82.539 flat angles C4'-P-C4' energy: -74.858 flat angles P-C4'-P energy: -58.716 tors. eta vs tors. theta energy: -24.778 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: 10 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -726.004225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.004225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.004225 (E_RNA) where: Base-Base interactions energy: -404.145 where: short stacking energy: -183.184 Base-Backbone interact. energy: -0.855 local terms energy: -321.003632 where: bonds (distance) C4'-P energy: -84.860 bonds (distance) P-C4' energy: -79.722 flat angles C4'-P-C4' energy: -87.186 flat angles P-C4'-P energy: -42.193 tors. eta vs tors. theta energy: -27.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -382.452452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.452452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.452452 (E_RNA) where: Base-Base interactions energy: -113.301 where: short stacking energy: -108.834 Base-Backbone interact. energy: 5.471 local terms energy: -274.621690 where: bonds (distance) C4'-P energy: -75.180 bonds (distance) P-C4' energy: -77.456 flat angles C4'-P-C4' energy: -81.585 flat angles P-C4'-P energy: -42.563 tors. eta vs tors. theta energy: 2.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1690.651751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.651751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.651751 (E_RNA) where: Base-Base interactions energy: -1174.095 where: short stacking energy: -479.329 Base-Backbone interact. energy: -1.092 local terms energy: -515.464742 where: bonds (distance) C4'-P energy: -93.570 bonds (distance) P-C4' energy: -91.633 flat angles C4'-P-C4' energy: -114.569 flat angles P-C4'-P energy: -71.808 tors. eta vs tors. theta energy: -143.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1621.611005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.611005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.611005 (E_RNA) where: Base-Base interactions energy: -1109.526 where: short stacking energy: -443.224 Base-Backbone interact. energy: -2.315 local terms energy: -509.769364 where: bonds (distance) C4'-P energy: -89.424 bonds (distance) P-C4' energy: -97.882 flat angles C4'-P-C4' energy: -109.910 flat angles P-C4'-P energy: -80.487 tors. eta vs tors. theta energy: -132.066 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: 2 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1574.329807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.329807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.329807 (E_RNA) where: Base-Base interactions energy: -1084.859 where: short stacking energy: -464.123 Base-Backbone interact. energy: 1.174 local terms energy: -490.644488 where: bonds (distance) C4'-P energy: -94.922 bonds (distance) P-C4' energy: -84.747 flat angles C4'-P-C4' energy: -100.977 flat angles P-C4'-P energy: -70.245 tors. eta vs tors. theta energy: -139.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1534.281462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.281462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.281462 (E_RNA) where: Base-Base interactions energy: -1085.518 where: short stacking energy: -431.434 Base-Backbone interact. energy: -0.939 local terms energy: -447.824631 where: bonds (distance) C4'-P energy: -85.843 bonds (distance) P-C4' energy: -93.574 flat angles C4'-P-C4' energy: -90.802 flat angles P-C4'-P energy: -61.239 tors. eta vs tors. theta energy: -116.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1419.392769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.392769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.392769 (E_RNA) where: Base-Base interactions energy: -968.132 where: short stacking energy: -430.539 Base-Backbone interact. energy: -1.623 local terms energy: -449.638307 where: bonds (distance) C4'-P energy: -71.583 bonds (distance) P-C4' energy: -84.652 flat angles C4'-P-C4' energy: -104.611 flat angles P-C4'-P energy: -68.418 tors. eta vs tors. theta energy: -120.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1273.697460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.697460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.697460 (E_RNA) where: Base-Base interactions energy: -856.437 where: short stacking energy: -377.244 Base-Backbone interact. energy: -2.964 local terms energy: -414.296485 where: bonds (distance) C4'-P energy: -79.476 bonds (distance) P-C4' energy: -90.615 flat angles C4'-P-C4' energy: -84.459 flat angles P-C4'-P energy: -54.017 tors. eta vs tors. theta energy: -105.730 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: 5 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -983.979289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.979289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.979289 (E_RNA) where: Base-Base interactions energy: -650.158 where: short stacking energy: -303.254 Base-Backbone interact. energy: -1.437 local terms energy: -332.384519 where: bonds (distance) C4'-P energy: -71.155 bonds (distance) P-C4' energy: -71.183 flat angles C4'-P-C4' energy: -77.528 flat angles P-C4'-P energy: -54.050 tors. eta vs tors. theta energy: -58.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -809.769340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.769340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.769340 (E_RNA) where: Base-Base interactions energy: -466.182 where: short stacking energy: -255.921 Base-Backbone interact. energy: 1.470 local terms energy: -345.057642 where: bonds (distance) C4'-P energy: -92.620 bonds (distance) P-C4' energy: -73.873 flat angles C4'-P-C4' energy: -82.472 flat angles P-C4'-P energy: -51.595 tors. eta vs tors. theta energy: -44.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -743.397222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.397222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.397222 (E_RNA) where: Base-Base interactions energy: -432.537 where: short stacking energy: -226.845 Base-Backbone interact. energy: -1.867 local terms energy: -308.993883 where: bonds (distance) C4'-P energy: -75.569 bonds (distance) P-C4' energy: -85.663 flat angles C4'-P-C4' energy: -87.403 flat angles P-C4'-P energy: -31.858 tors. eta vs tors. theta energy: -28.501 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: 10, replica: 8 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -363.629068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.629068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.629068 (E_RNA) where: Base-Base interactions energy: -142.761 where: short stacking energy: -106.007 Base-Backbone interact. energy: 7.295 local terms energy: -228.162827 where: bonds (distance) C4'-P energy: -79.064 bonds (distance) P-C4' energy: -70.754 flat angles C4'-P-C4' energy: -60.658 flat angles P-C4'-P energy: -35.664 tors. eta vs tors. theta energy: 17.977 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: 6 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1679.191566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.191566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.191566 (E_RNA) where: Base-Base interactions energy: -1140.098 where: short stacking energy: -472.195 Base-Backbone interact. energy: 0.493 local terms energy: -539.586851 where: bonds (distance) C4'-P energy: -107.290 bonds (distance) P-C4' energy: -100.463 flat angles C4'-P-C4' energy: -113.397 flat angles P-C4'-P energy: -74.363 tors. eta vs tors. theta energy: -144.074 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: 1 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1613.273782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.273782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.273782 (E_RNA) where: Base-Base interactions energy: -1109.055 where: short stacking energy: -442.634 Base-Backbone interact. energy: -2.503 local terms energy: -501.715285 where: bonds (distance) C4'-P energy: -94.307 bonds (distance) P-C4' energy: -86.623 flat angles C4'-P-C4' energy: -113.053 flat angles P-C4'-P energy: -83.916 tors. eta vs tors. theta energy: -123.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1555.764586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.764586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.764586 (E_RNA) where: Base-Base interactions energy: -1066.956 where: short stacking energy: -453.540 Base-Backbone interact. energy: -3.104 local terms energy: -485.704807 where: bonds (distance) C4'-P energy: -88.501 bonds (distance) P-C4' energy: -93.252 flat angles C4'-P-C4' energy: -97.934 flat angles P-C4'-P energy: -66.608 tors. eta vs tors. theta energy: -139.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1572.232426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.232426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.232426 (E_RNA) where: Base-Base interactions energy: -1068.252 where: short stacking energy: -419.780 Base-Backbone interact. energy: -1.533 local terms energy: -502.447730 where: bonds (distance) C4'-P energy: -93.977 bonds (distance) P-C4' energy: -95.934 flat angles C4'-P-C4' energy: -97.924 flat angles P-C4'-P energy: -85.942 tors. eta vs tors. theta energy: -128.671 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: 5, replica: 3 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1470.802646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.802646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.802646 (E_RNA) where: Base-Base interactions energy: -998.825 where: short stacking energy: -427.525 Base-Backbone interact. energy: 0.055 local terms energy: -472.033113 where: bonds (distance) C4'-P energy: -84.795 bonds (distance) P-C4' energy: -85.386 flat angles C4'-P-C4' energy: -100.676 flat angles P-C4'-P energy: -70.746 tors. eta vs tors. theta energy: -130.431 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: 7 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1272.949865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.949865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.949865 (E_RNA) where: Base-Base interactions energy: -832.926 where: short stacking energy: -355.914 Base-Backbone interact. energy: -2.874 local terms energy: -437.149714 where: bonds (distance) C4'-P energy: -86.087 bonds (distance) P-C4' energy: -91.954 flat angles C4'-P-C4' energy: -100.588 flat angles P-C4'-P energy: -63.021 tors. eta vs tors. theta energy: -95.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -989.263853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.263853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.263853 (E_RNA) where: Base-Base interactions energy: -629.412 where: short stacking energy: -280.789 Base-Backbone interact. energy: -0.151 local terms energy: -359.701332 where: bonds (distance) C4'-P energy: -74.550 bonds (distance) P-C4' energy: -97.544 flat angles C4'-P-C4' energy: -85.940 flat angles P-C4'-P energy: -53.334 tors. eta vs tors. theta energy: -48.333 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: 10 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -758.302833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.302833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.302833 (E_RNA) where: Base-Base interactions energy: -430.188 where: short stacking energy: -212.033 Base-Backbone interact. energy: -1.405 local terms energy: -326.709822 where: bonds (distance) C4'-P energy: -76.475 bonds (distance) P-C4' energy: -94.955 flat angles C4'-P-C4' energy: -77.187 flat angles P-C4'-P energy: -50.950 tors. eta vs tors. theta energy: -27.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -788.690422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.690422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.690422 (E_RNA) where: Base-Base interactions energy: -497.322 where: short stacking energy: -221.090 Base-Backbone interact. energy: -0.697 local terms energy: -290.671310 where: bonds (distance) C4'-P energy: -80.758 bonds (distance) P-C4' energy: -63.066 flat angles C4'-P-C4' energy: -79.797 flat angles P-C4'-P energy: -37.336 tors. eta vs tors. theta energy: -29.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -374.445056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.445056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.445056 (E_RNA) where: Base-Base interactions energy: -129.663 where: short stacking energy: -89.944 Base-Backbone interact. energy: -0.977 local terms energy: -243.805051 where: bonds (distance) C4'-P energy: -74.213 bonds (distance) P-C4' energy: -81.196 flat angles C4'-P-C4' energy: -71.914 flat angles P-C4'-P energy: -36.161 tors. eta vs tors. theta energy: 19.679 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: 6 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1716.691992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.691992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.691992 (E_RNA) where: Base-Base interactions energy: -1205.180 where: short stacking energy: -490.337 Base-Backbone interact. energy: -0.968 local terms energy: -510.544204 where: bonds (distance) C4'-P energy: -92.930 bonds (distance) P-C4' energy: -84.344 flat angles C4'-P-C4' energy: -111.451 flat angles P-C4'-P energy: -77.109 tors. eta vs tors. theta energy: -144.710 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: 1 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1630.117570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.117570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.117570 (E_RNA) where: Base-Base interactions energy: -1124.213 where: short stacking energy: -458.268 Base-Backbone interact. energy: -1.774 local terms energy: -504.131104 where: bonds (distance) C4'-P energy: -88.043 bonds (distance) P-C4' energy: -98.365 flat angles C4'-P-C4' energy: -111.832 flat angles P-C4'-P energy: -69.933 tors. eta vs tors. theta energy: -135.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1610.142938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.142938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.142938 (E_RNA) where: Base-Base interactions energy: -1112.137 where: short stacking energy: -460.531 Base-Backbone interact. energy: 1.725 local terms energy: -499.730917 where: bonds (distance) C4'-P energy: -89.244 bonds (distance) P-C4' energy: -94.804 flat angles C4'-P-C4' energy: -112.859 flat angles P-C4'-P energy: -68.811 tors. eta vs tors. theta energy: -134.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1512.537446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.537446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.537446 (E_RNA) where: Base-Base interactions energy: -1023.343 where: short stacking energy: -420.206 Base-Backbone interact. energy: 4.390 local terms energy: -493.584864 where: bonds (distance) C4'-P energy: -90.754 bonds (distance) P-C4' energy: -86.834 flat angles C4'-P-C4' energy: -104.482 flat angles P-C4'-P energy: -73.936 tors. eta vs tors. theta energy: -137.580 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: 3 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1479.282813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.282813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.282813 (E_RNA) where: Base-Base interactions energy: -1024.134 where: short stacking energy: -437.999 Base-Backbone interact. energy: -0.858 local terms energy: -454.290822 where: bonds (distance) C4'-P energy: -80.391 bonds (distance) P-C4' energy: -74.342 flat angles C4'-P-C4' energy: -108.384 flat angles P-C4'-P energy: -62.643 tors. eta vs tors. theta energy: -128.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1296.951911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.951911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.951911 (E_RNA) where: Base-Base interactions energy: -872.552 where: short stacking energy: -374.073 Base-Backbone interact. energy: -0.797 local terms energy: -423.603171 where: bonds (distance) C4'-P energy: -75.608 bonds (distance) P-C4' energy: -85.060 flat angles C4'-P-C4' energy: -94.561 flat angles P-C4'-P energy: -63.264 tors. eta vs tors. theta energy: -105.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -972.892281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.892281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.892281 (E_RNA) where: Base-Base interactions energy: -605.833 where: short stacking energy: -276.969 Base-Backbone interact. energy: -1.527 local terms energy: -365.532547 where: bonds (distance) C4'-P energy: -84.351 bonds (distance) P-C4' energy: -81.638 flat angles C4'-P-C4' energy: -79.365 flat angles P-C4'-P energy: -62.201 tors. eta vs tors. theta energy: -57.977 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: 10 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -785.841076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.841076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.841076 (E_RNA) where: Base-Base interactions energy: -457.050 where: short stacking energy: -196.052 Base-Backbone interact. energy: 0.380 local terms energy: -329.170933 where: bonds (distance) C4'-P energy: -75.501 bonds (distance) P-C4' energy: -86.026 flat angles C4'-P-C4' energy: -82.624 flat angles P-C4'-P energy: -56.587 tors. eta vs tors. theta energy: -28.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -781.640260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.640260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.640260 (E_RNA) where: Base-Base interactions energy: -476.457 where: short stacking energy: -218.557 Base-Backbone interact. energy: -0.552 local terms energy: -304.630558 where: bonds (distance) C4'-P energy: -68.447 bonds (distance) P-C4' energy: -86.485 flat angles C4'-P-C4' energy: -76.714 flat angles P-C4'-P energy: -31.868 tors. eta vs tors. theta energy: -41.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -357.335254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.335254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.335254 (E_RNA) where: Base-Base interactions energy: -133.254 where: short stacking energy: -97.169 Base-Backbone interact. energy: 0.359 local terms energy: -224.439997 where: bonds (distance) C4'-P energy: -79.883 bonds (distance) P-C4' energy: -70.702 flat angles C4'-P-C4' energy: -63.036 flat angles P-C4'-P energy: -44.196 tors. eta vs tors. theta energy: 33.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1705.401127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.401127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.401127 (E_RNA) where: Base-Base interactions energy: -1184.872 where: short stacking energy: -471.857 Base-Backbone interact. energy: -1.520 local terms energy: -519.009512 where: bonds (distance) C4'-P energy: -101.266 bonds (distance) P-C4' energy: -84.245 flat angles C4'-P-C4' energy: -112.791 flat angles P-C4'-P energy: -80.128 tors. eta vs tors. theta energy: -140.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1614.043025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.043025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.043025 (E_RNA) where: Base-Base interactions energy: -1114.193 where: short stacking energy: -455.415 Base-Backbone interact. energy: -1.089 local terms energy: -498.760860 where: bonds (distance) C4'-P energy: -93.381 bonds (distance) P-C4' energy: -100.297 flat angles C4'-P-C4' energy: -106.466 flat angles P-C4'-P energy: -67.828 tors. eta vs tors. theta energy: -130.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1610.004490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.004490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.004490 (E_RNA) where: Base-Base interactions energy: -1115.138 where: short stacking energy: -445.570 Base-Backbone interact. energy: -2.080 local terms energy: -492.787118 where: bonds (distance) C4'-P energy: -92.139 bonds (distance) P-C4' energy: -90.239 flat angles C4'-P-C4' energy: -107.473 flat angles P-C4'-P energy: -75.391 tors. eta vs tors. theta energy: -127.546 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: 59 Temperature: 1.050000 Total energy: -1487.177359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.177359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.177359 (E_RNA) where: Base-Base interactions energy: -997.178 where: short stacking energy: -416.811 Base-Backbone interact. energy: -2.300 local terms energy: -487.699105 where: bonds (distance) C4'-P energy: -90.100 bonds (distance) P-C4' energy: -97.861 flat angles C4'-P-C4' energy: -106.990 flat angles P-C4'-P energy: -62.819 tors. eta vs tors. theta energy: -129.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1431.300725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.300725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.300725 (E_RNA) where: Base-Base interactions energy: -973.507 where: short stacking energy: -408.572 Base-Backbone interact. energy: -0.700 local terms energy: -457.093877 where: bonds (distance) C4'-P energy: -79.490 bonds (distance) P-C4' energy: -91.031 flat angles C4'-P-C4' energy: -97.683 flat angles P-C4'-P energy: -64.729 tors. eta vs tors. theta energy: -124.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1257.167140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.167140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.167140 (E_RNA) where: Base-Base interactions energy: -862.896 where: short stacking energy: -373.606 Base-Backbone interact. energy: 4.145 local terms energy: -398.415983 where: bonds (distance) C4'-P energy: -74.771 bonds (distance) P-C4' energy: -86.359 flat angles C4'-P-C4' energy: -91.506 flat angles P-C4'-P energy: -57.914 tors. eta vs tors. theta energy: -87.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -997.076463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.076463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.076463 (E_RNA) where: Base-Base interactions energy: -668.421 where: short stacking energy: -297.312 Base-Backbone interact. energy: 0.221 local terms energy: -328.876552 where: bonds (distance) C4'-P energy: -85.931 bonds (distance) P-C4' energy: -82.732 flat angles C4'-P-C4' energy: -67.592 flat angles P-C4'-P energy: -42.689 tors. eta vs tors. theta energy: -49.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -770.008375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.008375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.008375 (E_RNA) where: Base-Base interactions energy: -464.350 where: short stacking energy: -207.536 Base-Backbone interact. energy: 1.680 local terms energy: -307.338425 where: bonds (distance) C4'-P energy: -83.965 bonds (distance) P-C4' energy: -72.060 flat angles C4'-P-C4' energy: -76.494 flat angles P-C4'-P energy: -41.227 tors. eta vs tors. theta energy: -33.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -771.456655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.456655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.456655 (E_RNA) where: Base-Base interactions energy: -442.078 where: short stacking energy: -221.260 Base-Backbone interact. energy: -2.508 local terms energy: -326.871563 where: bonds (distance) C4'-P energy: -75.767 bonds (distance) P-C4' energy: -75.747 flat angles C4'-P-C4' energy: -82.132 flat angles P-C4'-P energy: -59.426 tors. eta vs tors. theta energy: -33.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -366.557262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.557262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.557262 (E_RNA) where: Base-Base interactions energy: -138.429 where: short stacking energy: -95.383 Base-Backbone interact. energy: 4.911 local terms energy: -233.039659 where: bonds (distance) C4'-P energy: -66.438 bonds (distance) P-C4' energy: -79.671 flat angles C4'-P-C4' energy: -79.789 flat angles P-C4'-P energy: -32.774 tors. eta vs tors. theta energy: 25.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1721.564887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.564887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.564887 (E_RNA) where: Base-Base interactions energy: -1196.485 where: short stacking energy: -485.314 Base-Backbone interact. energy: -0.748 local terms energy: -524.332283 where: bonds (distance) C4'-P energy: -88.294 bonds (distance) P-C4' energy: -97.429 flat angles C4'-P-C4' energy: -115.663 flat angles P-C4'-P energy: -83.849 tors. eta vs tors. theta energy: -139.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1635.246562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.246562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.246562 (E_RNA) where: Base-Base interactions energy: -1103.890 where: short stacking energy: -457.232 Base-Backbone interact. energy: -3.374 local terms energy: -527.981629 where: bonds (distance) C4'-P energy: -96.890 bonds (distance) P-C4' energy: -103.784 flat angles C4'-P-C4' energy: -111.710 flat angles P-C4'-P energy: -75.648 tors. eta vs tors. theta energy: -139.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1596.185874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.185874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.185874 (E_RNA) where: Base-Base interactions energy: -1123.524 where: short stacking energy: -439.421 Base-Backbone interact. energy: -1.871 local terms energy: -470.791162 where: bonds (distance) C4'-P energy: -82.605 bonds (distance) P-C4' energy: -89.198 flat angles C4'-P-C4' energy: -106.030 flat angles P-C4'-P energy: -63.382 tors. eta vs tors. theta energy: -129.576 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: 3 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1520.950000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.950000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.950000 (E_RNA) where: Base-Base interactions energy: -1041.678 where: short stacking energy: -418.547 Base-Backbone interact. energy: -1.049 local terms energy: -478.223103 where: bonds (distance) C4'-P energy: -91.838 bonds (distance) P-C4' energy: -97.263 flat angles C4'-P-C4' energy: -97.681 flat angles P-C4'-P energy: -60.906 tors. eta vs tors. theta energy: -130.535 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: 5, replica: 2 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1415.998324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.998324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.998324 (E_RNA) where: Base-Base interactions energy: -945.364 where: short stacking energy: -414.236 Base-Backbone interact. energy: -1.361 local terms energy: -469.272674 where: bonds (distance) C4'-P energy: -91.729 bonds (distance) P-C4' energy: -83.906 flat angles C4'-P-C4' energy: -106.597 flat angles P-C4'-P energy: -56.678 tors. eta vs tors. theta energy: -130.363 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: 60 Temperature: 1.150000 Total energy: -1257.311405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.311405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.311405 (E_RNA) where: Base-Base interactions energy: -871.498 where: short stacking energy: -354.093 Base-Backbone interact. energy: -0.283 local terms energy: -385.530394 where: bonds (distance) C4'-P energy: -81.804 bonds (distance) P-C4' energy: -75.737 flat angles C4'-P-C4' energy: -86.672 flat angles P-C4'-P energy: -53.367 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: 7, replica: 5 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1047.318526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.318526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.318526 (E_RNA) where: Base-Base interactions energy: -691.091 where: short stacking energy: -303.210 Base-Backbone interact. energy: -0.631 local terms energy: -355.596490 where: bonds (distance) C4'-P energy: -76.642 bonds (distance) P-C4' energy: -84.940 flat angles C4'-P-C4' energy: -83.051 flat angles P-C4'-P energy: -46.418 tors. eta vs tors. theta energy: -64.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -764.226699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.226699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.226699 (E_RNA) where: Base-Base interactions energy: -430.249 where: short stacking energy: -217.216 Base-Backbone interact. energy: -1.342 local terms energy: -332.635642 where: bonds (distance) C4'-P energy: -59.908 bonds (distance) P-C4' energy: -78.870 flat angles C4'-P-C4' energy: -91.975 flat angles P-C4'-P energy: -61.372 tors. eta vs tors. theta energy: -40.510 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: 9 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -794.681199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.681199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.681199 (E_RNA) where: Base-Base interactions energy: -479.833 where: short stacking energy: -237.624 Base-Backbone interact. energy: 1.241 local terms energy: -316.089556 where: bonds (distance) C4'-P energy: -74.169 bonds (distance) P-C4' energy: -92.331 flat angles C4'-P-C4' energy: -75.782 flat angles P-C4'-P energy: -40.278 tors. eta vs tors. theta energy: -33.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -353.731184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.731184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.731184 (E_RNA) where: Base-Base interactions energy: -119.716 where: short stacking energy: -105.112 Base-Backbone interact. energy: 1.367 local terms energy: -235.381513 where: bonds (distance) C4'-P energy: -82.420 bonds (distance) P-C4' energy: -67.225 flat angles C4'-P-C4' energy: -63.667 flat angles P-C4'-P energy: -32.981 tors. eta vs tors. theta energy: 10.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1732.250660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.250660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.250660 (E_RNA) where: Base-Base interactions energy: -1213.449 where: short stacking energy: -488.592 Base-Backbone interact. energy: 0.989 local terms energy: -519.790864 where: bonds (distance) C4'-P energy: -84.965 bonds (distance) P-C4' energy: -94.164 flat angles C4'-P-C4' energy: -106.851 flat angles P-C4'-P energy: -79.611 tors. eta vs tors. theta energy: -154.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1623.880693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.880693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.880693 (E_RNA) where: Base-Base interactions energy: -1123.959 where: short stacking energy: -443.514 Base-Backbone interact. energy: 2.399 local terms energy: -502.321205 where: bonds (distance) C4'-P energy: -83.493 bonds (distance) P-C4' energy: -108.447 flat angles C4'-P-C4' energy: -107.655 flat angles P-C4'-P energy: -80.148 tors. eta vs tors. theta energy: -122.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1625.233992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.233992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.233992 (E_RNA) where: Base-Base interactions energy: -1129.750 where: short stacking energy: -435.487 Base-Backbone interact. energy: 0.812 local terms energy: -496.295710 where: bonds (distance) C4'-P energy: -96.257 bonds (distance) P-C4' energy: -104.659 flat angles C4'-P-C4' energy: -95.608 flat angles P-C4'-P energy: -69.055 tors. eta vs tors. theta energy: -130.717 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: 3 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1552.382479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.382479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.382479 (E_RNA) where: Base-Base interactions energy: -1081.029 where: short stacking energy: -463.190 Base-Backbone interact. energy: -1.393 local terms energy: -469.960829 where: bonds (distance) C4'-P energy: -88.857 bonds (distance) P-C4' energy: -96.291 flat angles C4'-P-C4' energy: -97.280 flat angles P-C4'-P energy: -55.728 tors. eta vs tors. theta energy: -131.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1381.292169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.292169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.292169 (E_RNA) where: Base-Base interactions energy: -920.456 where: short stacking energy: -409.301 Base-Backbone interact. energy: -1.459 local terms energy: -459.376959 where: bonds (distance) C4'-P energy: -72.239 bonds (distance) P-C4' energy: -88.533 flat angles C4'-P-C4' energy: -99.536 flat angles P-C4'-P energy: -66.564 tors. eta vs tors. theta energy: -132.505 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: 7 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1275.340075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.340075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.340075 (E_RNA) where: Base-Base interactions energy: -875.781 where: short stacking energy: -340.449 Base-Backbone interact. energy: -2.914 local terms energy: -396.644668 where: bonds (distance) C4'-P energy: -77.819 bonds (distance) P-C4' energy: -77.379 flat angles C4'-P-C4' energy: -92.793 flat angles P-C4'-P energy: -69.511 tors. eta vs tors. theta energy: -79.142 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: 7, replica: 5 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1038.837107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.837107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.837107 (E_RNA) where: Base-Base interactions energy: -653.728 where: short stacking energy: -291.973 Base-Backbone interact. energy: 1.326 local terms energy: -386.435056 where: bonds (distance) C4'-P energy: -89.345 bonds (distance) P-C4' energy: -97.438 flat angles C4'-P-C4' energy: -80.974 flat angles P-C4'-P energy: -52.903 tors. eta vs tors. theta energy: -65.775 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: 9 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -866.533446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.533446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.533446 (E_RNA) where: Base-Base interactions energy: -524.392 where: short stacking energy: -238.790 Base-Backbone interact. energy: 7.843 local terms energy: -349.985091 where: bonds (distance) C4'-P energy: -88.618 bonds (distance) P-C4' energy: -72.941 flat angles C4'-P-C4' energy: -78.378 flat angles P-C4'-P energy: -60.451 tors. eta vs tors. theta energy: -49.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -762.062137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.062137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.062137 (E_RNA) where: Base-Base interactions energy: -440.136 where: short stacking energy: -197.088 Base-Backbone interact. energy: 1.477 local terms energy: -323.403444 where: bonds (distance) C4'-P energy: -69.724 bonds (distance) P-C4' energy: -89.225 flat angles C4'-P-C4' energy: -91.370 flat angles P-C4'-P energy: -29.278 tors. eta vs tors. theta energy: -43.806 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: 61 Temperature: 1.350000 Total energy: -429.432558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.432558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.432558 (E_RNA) where: Base-Base interactions energy: -185.365 where: short stacking energy: -128.093 Base-Backbone interact. energy: -0.669 local terms energy: -243.397869 where: bonds (distance) C4'-P energy: -72.070 bonds (distance) P-C4' energy: -72.189 flat angles C4'-P-C4' energy: -71.592 flat angles P-C4'-P energy: -28.651 tors. eta vs tors. theta energy: 1.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1718.719121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.719121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.719121 (E_RNA) where: Base-Base interactions energy: -1189.990 where: short stacking energy: -493.693 Base-Backbone interact. energy: 1.528 local terms energy: -530.257366 where: bonds (distance) C4'-P energy: -93.539 bonds (distance) P-C4' energy: -100.383 flat angles C4'-P-C4' energy: -109.043 flat angles P-C4'-P energy: -79.355 tors. eta vs tors. theta energy: -147.938 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: 2, replica: 1 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1636.674878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.674878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.674878 (E_RNA) where: Base-Base interactions energy: -1114.582 where: short stacking energy: -450.789 Base-Backbone interact. energy: -1.904 local terms energy: -520.189815 where: bonds (distance) C4'-P energy: -105.161 bonds (distance) P-C4' energy: -90.118 flat angles C4'-P-C4' energy: -110.417 flat angles P-C4'-P energy: -75.364 tors. eta vs tors. theta energy: -139.130 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: 3, replica: 4 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1598.510119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.510119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.510119 (E_RNA) where: Base-Base interactions energy: -1094.588 where: short stacking energy: -448.645 Base-Backbone interact. energy: -3.136 local terms energy: -500.786227 where: bonds (distance) C4'-P energy: -89.145 bonds (distance) P-C4' energy: -96.651 flat angles C4'-P-C4' energy: -106.277 flat angles P-C4'-P energy: -75.122 tors. eta vs tors. theta energy: -133.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1531.679916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.679916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.679916 (E_RNA) where: Base-Base interactions energy: -1052.456 where: short stacking energy: -434.441 Base-Backbone interact. energy: 1.529 local terms energy: -480.752382 where: bonds (distance) C4'-P energy: -83.629 bonds (distance) P-C4' energy: -93.052 flat angles C4'-P-C4' energy: -105.628 flat angles P-C4'-P energy: -63.815 tors. eta vs tors. theta energy: -134.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1393.267770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.267770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.267770 (E_RNA) where: Base-Base interactions energy: -928.385 where: short stacking energy: -388.312 Base-Backbone interact. energy: -3.133 local terms energy: -461.749152 where: bonds (distance) C4'-P energy: -81.487 bonds (distance) P-C4' energy: -101.754 flat angles C4'-P-C4' energy: -103.294 flat angles P-C4'-P energy: -65.571 tors. eta vs tors. theta energy: -109.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1328.475209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.475209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.475209 (E_RNA) where: Base-Base interactions energy: -882.628 where: short stacking energy: -373.933 Base-Backbone interact. energy: 3.380 local terms energy: -449.227261 where: bonds (distance) C4'-P energy: -77.388 bonds (distance) P-C4' energy: -89.825 flat angles C4'-P-C4' energy: -102.315 flat angles P-C4'-P energy: -63.213 tors. eta vs tors. theta energy: -116.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -964.303849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.303849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.303849 (E_RNA) where: Base-Base interactions energy: -612.445 where: short stacking energy: -279.026 Base-Backbone interact. energy: -0.041 local terms energy: -351.817804 where: bonds (distance) C4'-P energy: -80.206 bonds (distance) P-C4' energy: -71.877 flat angles C4'-P-C4' energy: -96.539 flat angles P-C4'-P energy: -50.059 tors. eta vs tors. theta energy: -53.137 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: 8, replica: 9 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -863.861926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.861926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.861926 (E_RNA) where: Base-Base interactions energy: -546.811 where: short stacking energy: -282.656 Base-Backbone interact. energy: 2.107 local terms energy: -319.158290 where: bonds (distance) C4'-P energy: -63.795 bonds (distance) P-C4' energy: -88.603 flat angles C4'-P-C4' energy: -68.656 flat angles P-C4'-P energy: -47.148 tors. eta vs tors. theta energy: -50.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -705.831893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.831893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.831893 (E_RNA) where: Base-Base interactions energy: -427.684 where: short stacking energy: -216.688 Base-Backbone interact. energy: 1.959 local terms energy: -280.106723 where: bonds (distance) C4'-P energy: -64.014 bonds (distance) P-C4' energy: -67.280 flat angles C4'-P-C4' energy: -78.949 flat angles P-C4'-P energy: -45.940 tors. eta vs tors. theta energy: -23.923 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: 62 Temperature: 1.350000 Total energy: -421.803881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.803881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.803881 (E_RNA) where: Base-Base interactions energy: -174.400 where: short stacking energy: -144.171 Base-Backbone interact. energy: -0.571 local terms energy: -246.832537 where: bonds (distance) C4'-P energy: -71.112 bonds (distance) P-C4' energy: -77.899 flat angles C4'-P-C4' energy: -57.917 flat angles P-C4'-P energy: -46.480 tors. eta vs tors. theta energy: 6.575 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: 6 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1724.048715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.048715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.048715 (E_RNA) where: Base-Base interactions energy: -1207.075 where: short stacking energy: -477.723 Base-Backbone interact. energy: -1.585 local terms energy: -515.388307 where: bonds (distance) C4'-P energy: -94.211 bonds (distance) P-C4' energy: -92.458 flat angles C4'-P-C4' energy: -98.263 flat angles P-C4'-P energy: -76.080 tors. eta vs tors. theta energy: -154.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1633.407371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.407371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.407371 (E_RNA) where: Base-Base interactions energy: -1135.631 where: short stacking energy: -468.778 Base-Backbone interact. energy: -1.278 local terms energy: -496.498746 where: bonds (distance) C4'-P energy: -100.077 bonds (distance) P-C4' energy: -84.587 flat angles C4'-P-C4' energy: -108.606 flat angles P-C4'-P energy: -66.961 tors. eta vs tors. theta energy: -136.268 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: 4 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1585.857059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.857059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.857059 (E_RNA) where: Base-Base interactions energy: -1084.071 where: short stacking energy: -458.744 Base-Backbone interact. energy: -1.392 local terms energy: -500.394058 where: bonds (distance) C4'-P energy: -97.806 bonds (distance) P-C4' energy: -93.808 flat angles C4'-P-C4' energy: -100.419 flat angles P-C4'-P energy: -73.398 tors. eta vs tors. theta energy: -134.964 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: 63 Temperature: 1.050000 Total energy: -1499.546399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.546399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.546399 (E_RNA) where: Base-Base interactions energy: -1048.684 where: short stacking energy: -441.601 Base-Backbone interact. energy: 1.451 local terms energy: -452.313315 where: bonds (distance) C4'-P energy: -83.067 bonds (distance) P-C4' energy: -84.114 flat angles C4'-P-C4' energy: -96.389 flat angles P-C4'-P energy: -64.147 tors. eta vs tors. theta energy: -124.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1408.678583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.678583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.678583 (E_RNA) where: Base-Base interactions energy: -983.498 where: short stacking energy: -405.411 Base-Backbone interact. energy: 2.269 local terms energy: -427.449762 where: bonds (distance) C4'-P energy: -73.326 bonds (distance) P-C4' energy: -84.978 flat angles C4'-P-C4' energy: -98.674 flat angles P-C4'-P energy: -54.930 tors. eta vs tors. theta energy: -115.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1276.329870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.329870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.329870 (E_RNA) where: Base-Base interactions energy: -859.619 where: short stacking energy: -364.788 Base-Backbone interact. energy: -1.614 local terms energy: -415.096614 where: bonds (distance) C4'-P energy: -76.055 bonds (distance) P-C4' energy: -84.990 flat angles C4'-P-C4' energy: -95.740 flat angles P-C4'-P energy: -51.087 tors. eta vs tors. theta energy: -107.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1023.121481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.121481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.121481 (E_RNA) where: Base-Base interactions energy: -647.415 where: short stacking energy: -306.994 Base-Backbone interact. energy: -3.426 local terms energy: -372.279900 where: bonds (distance) C4'-P energy: -77.441 bonds (distance) P-C4' energy: -82.101 flat angles C4'-P-C4' energy: -79.156 flat angles P-C4'-P energy: -54.889 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: 8, replica: 9 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -860.518459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.518459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.518459 (E_RNA) where: Base-Base interactions energy: -509.651 where: short stacking energy: -259.767 Base-Backbone interact. energy: -1.451 local terms energy: -349.417235 where: bonds (distance) C4'-P energy: -88.077 bonds (distance) P-C4' energy: -51.670 flat angles C4'-P-C4' energy: -86.926 flat angles P-C4'-P energy: -63.139 tors. eta vs tors. theta energy: -59.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -727.190775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.190775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.190775 (E_RNA) where: Base-Base interactions energy: -400.856 where: short stacking energy: -201.313 Base-Backbone interact. energy: 2.551 local terms energy: -328.885444 where: bonds (distance) C4'-P energy: -86.801 bonds (distance) P-C4' energy: -79.839 flat angles C4'-P-C4' energy: -84.652 flat angles P-C4'-P energy: -46.638 tors. eta vs tors. theta energy: -30.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -384.777765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.777765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.777765 (E_RNA) where: Base-Base interactions energy: -130.658 where: short stacking energy: -103.735 Base-Backbone interact. energy: -1.653 local terms energy: -252.466624 where: bonds (distance) C4'-P energy: -82.701 bonds (distance) P-C4' energy: -85.018 flat angles C4'-P-C4' energy: -57.490 flat angles P-C4'-P energy: -49.261 tors. eta vs tors. theta energy: 22.003 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: 6 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1721.130682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.130682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.130682 (E_RNA) where: Base-Base interactions energy: -1189.106 where: short stacking energy: -488.102 Base-Backbone interact. energy: -3.812 local terms energy: -528.213525 where: bonds (distance) C4'-P energy: -93.970 bonds (distance) P-C4' energy: -101.321 flat angles C4'-P-C4' energy: -109.355 flat angles P-C4'-P energy: -72.660 tors. eta vs tors. theta energy: -150.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1627.686107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.686107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.686107 (E_RNA) where: Base-Base interactions energy: -1135.056 where: short stacking energy: -451.723 Base-Backbone interact. energy: 0.455 local terms energy: -493.085187 where: bonds (distance) C4'-P energy: -90.107 bonds (distance) P-C4' energy: -92.729 flat angles C4'-P-C4' energy: -98.835 flat angles P-C4'-P energy: -74.144 tors. eta vs tors. theta energy: -137.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1560.957140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.957140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.957140 (E_RNA) where: Base-Base interactions energy: -1081.828 where: short stacking energy: -431.740 Base-Backbone interact. energy: -2.634 local terms energy: -476.495892 where: bonds (distance) C4'-P energy: -84.551 bonds (distance) P-C4' energy: -90.453 flat angles C4'-P-C4' energy: -99.942 flat angles P-C4'-P energy: -71.078 tors. eta vs tors. theta energy: -130.472 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: 64 Temperature: 1.050000 Total energy: -1483.239948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.239948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.239948 (E_RNA) where: Base-Base interactions energy: -1008.009 where: short stacking energy: -420.598 Base-Backbone interact. energy: 0.799 local terms energy: -476.029546 where: bonds (distance) C4'-P energy: -93.446 bonds (distance) P-C4' energy: -84.226 flat angles C4'-P-C4' energy: -103.352 flat angles P-C4'-P energy: -69.973 tors. eta vs tors. theta energy: -125.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1383.473345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.473345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.473345 (E_RNA) where: Base-Base interactions energy: -950.594 where: short stacking energy: -386.611 Base-Backbone interact. energy: -1.827 local terms energy: -431.052080 where: bonds (distance) C4'-P energy: -87.970 bonds (distance) P-C4' energy: -84.997 flat angles C4'-P-C4' energy: -93.335 flat angles P-C4'-P energy: -58.286 tors. eta vs tors. theta energy: -106.464 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: 2 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1229.918316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.918316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.918316 (E_RNA) where: Base-Base interactions energy: -842.132 where: short stacking energy: -354.255 Base-Backbone interact. energy: -0.784 local terms energy: -387.002693 where: bonds (distance) C4'-P energy: -76.062 bonds (distance) P-C4' energy: -80.371 flat angles C4'-P-C4' energy: -91.631 flat angles P-C4'-P energy: -49.652 tors. eta vs tors. theta energy: -89.288 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: 5 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1017.081512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.081512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.081512 (E_RNA) where: Base-Base interactions energy: -642.300 where: short stacking energy: -300.432 Base-Backbone interact. energy: -0.880 local terms energy: -373.901887 where: bonds (distance) C4'-P energy: -96.036 bonds (distance) P-C4' energy: -83.812 flat angles C4'-P-C4' energy: -70.183 flat angles P-C4'-P energy: -52.787 tors. eta vs tors. theta energy: -71.084 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: 9 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -874.689968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.689968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.689968 (E_RNA) where: Base-Base interactions energy: -530.751 where: short stacking energy: -271.284 Base-Backbone interact. energy: -0.821 local terms energy: -343.117799 where: bonds (distance) C4'-P energy: -88.205 bonds (distance) P-C4' energy: -93.535 flat angles C4'-P-C4' energy: -72.077 flat angles P-C4'-P energy: -41.361 tors. eta vs tors. theta energy: -47.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -756.383177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.383177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.383177 (E_RNA) where: Base-Base interactions energy: -436.208 where: short stacking energy: -196.883 Base-Backbone interact. energy: -0.370 local terms energy: -319.805007 where: bonds (distance) C4'-P energy: -57.838 bonds (distance) P-C4' energy: -81.353 flat angles C4'-P-C4' energy: -95.833 flat angles P-C4'-P energy: -41.661 tors. eta vs tors. theta energy: -43.120 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: 64 Temperature: 1.350000 Total energy: -403.040037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.040037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.040037 (E_RNA) where: Base-Base interactions energy: -153.917 where: short stacking energy: -114.566 Base-Backbone interact. energy: -1.947 local terms energy: -247.176495 where: bonds (distance) C4'-P energy: -66.272 bonds (distance) P-C4' energy: -91.739 flat angles C4'-P-C4' energy: -65.035 flat angles P-C4'-P energy: -26.361 tors. eta vs tors. theta energy: 2.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1729.009229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.009229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.009229 (E_RNA) where: Base-Base interactions energy: -1198.355 where: short stacking energy: -472.768 Base-Backbone interact. energy: -0.601 local terms energy: -530.052952 where: bonds (distance) C4'-P energy: -97.009 bonds (distance) P-C4' energy: -97.435 flat angles C4'-P-C4' energy: -109.893 flat angles P-C4'-P energy: -77.601 tors. eta vs tors. theta energy: -148.115 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: 2, replica: 4 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1597.144084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.144084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.144084 (E_RNA) where: Base-Base interactions energy: -1106.819 where: short stacking energy: -442.683 Base-Backbone interact. energy: 0.523 local terms energy: -490.848603 where: bonds (distance) C4'-P energy: -91.473 bonds (distance) P-C4' energy: -98.703 flat angles C4'-P-C4' energy: -101.998 flat angles P-C4'-P energy: -73.902 tors. eta vs tors. theta energy: -124.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1596.095706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.095706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.095706 (E_RNA) where: Base-Base interactions energy: -1108.396 where: short stacking energy: -435.172 Base-Backbone interact. energy: -2.206 local terms energy: -485.494439 where: bonds (distance) C4'-P energy: -95.248 bonds (distance) P-C4' energy: -86.369 flat angles C4'-P-C4' energy: -111.837 flat angles P-C4'-P energy: -67.668 tors. eta vs tors. theta energy: -124.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1484.364200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.364200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.364200 (E_RNA) where: Base-Base interactions energy: -1014.598 where: short stacking energy: -422.018 Base-Backbone interact. energy: 1.025 local terms energy: -470.791063 where: bonds (distance) C4'-P energy: -72.290 bonds (distance) P-C4' energy: -77.415 flat angles C4'-P-C4' energy: -109.923 flat angles P-C4'-P energy: -81.136 tors. eta vs tors. theta energy: -130.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1433.066937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.066937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.066937 (E_RNA) where: Base-Base interactions energy: -979.967 where: short stacking energy: -398.810 Base-Backbone interact. energy: -4.728 local terms energy: -448.371705 where: bonds (distance) C4'-P energy: -90.360 bonds (distance) P-C4' energy: -83.496 flat angles C4'-P-C4' energy: -97.514 flat angles P-C4'-P energy: -61.962 tors. eta vs tors. theta energy: -115.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1241.448377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.448377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.448377 (E_RNA) where: Base-Base interactions energy: -810.963 where: short stacking energy: -355.040 Base-Backbone interact. energy: -0.652 local terms energy: -429.833251 where: bonds (distance) C4'-P energy: -75.247 bonds (distance) P-C4' energy: -107.700 flat angles C4'-P-C4' energy: -96.722 flat angles P-C4'-P energy: -65.654 tors. eta vs tors. theta energy: -84.510 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: 5 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -996.313201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.313201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.313201 (E_RNA) where: Base-Base interactions energy: -623.593 where: short stacking energy: -261.784 Base-Backbone interact. energy: -0.172 local terms energy: -372.548302 where: bonds (distance) C4'-P energy: -79.115 bonds (distance) P-C4' energy: -86.559 flat angles C4'-P-C4' energy: -82.265 flat angles P-C4'-P energy: -56.437 tors. eta vs tors. theta energy: -68.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -871.854596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.854596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.854596 (E_RNA) where: Base-Base interactions energy: -527.334 where: short stacking energy: -238.618 Base-Backbone interact. energy: -1.245 local terms energy: -343.275760 where: bonds (distance) C4'-P energy: -83.353 bonds (distance) P-C4' energy: -76.887 flat angles C4'-P-C4' energy: -81.521 flat angles P-C4'-P energy: -56.029 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: 9, replica: 10 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -758.254021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.254021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.254021 (E_RNA) where: Base-Base interactions energy: -450.991 where: short stacking energy: -214.486 Base-Backbone interact. energy: -1.012 local terms energy: -306.250912 where: bonds (distance) C4'-P energy: -66.283 bonds (distance) P-C4' energy: -95.037 flat angles C4'-P-C4' energy: -66.583 flat angles P-C4'-P energy: -40.889 tors. eta vs tors. theta energy: -37.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -397.805075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.805075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.805075 (E_RNA) where: Base-Base interactions energy: -156.452 where: short stacking energy: -109.753 Base-Backbone interact. energy: 1.456 local terms energy: -242.808597 where: bonds (distance) C4'-P energy: -72.626 bonds (distance) P-C4' energy: -88.114 flat angles C4'-P-C4' energy: -58.133 flat angles P-C4'-P energy: -36.677 tors. eta vs tors. theta energy: 12.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1732.997645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.997645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.997645 (E_RNA) where: Base-Base interactions energy: -1193.512 where: short stacking energy: -468.840 Base-Backbone interact. energy: -2.867 local terms energy: -536.618324 where: bonds (distance) C4'-P energy: -103.711 bonds (distance) P-C4' energy: -93.880 flat angles C4'-P-C4' energy: -113.556 flat angles P-C4'-P energy: -81.256 tors. eta vs tors. theta energy: -144.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1618.706191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.706191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.706191 (E_RNA) where: Base-Base interactions energy: -1107.930 where: short stacking energy: -450.245 Base-Backbone interact. energy: 2.054 local terms energy: -512.830069 where: bonds (distance) C4'-P energy: -97.360 bonds (distance) P-C4' energy: -98.241 flat angles C4'-P-C4' energy: -104.312 flat angles P-C4'-P energy: -74.905 tors. eta vs tors. theta energy: -138.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1567.165424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.165424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.165424 (E_RNA) where: Base-Base interactions energy: -1095.098 where: short stacking energy: -412.461 Base-Backbone interact. energy: 1.312 local terms energy: -473.379411 where: bonds (distance) C4'-P energy: -87.315 bonds (distance) P-C4' energy: -99.054 flat angles C4'-P-C4' energy: -99.117 flat angles P-C4'-P energy: -65.725 tors. eta vs tors. theta energy: -122.168 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: 4, replica: 3 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1522.361733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.361733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.361733 (E_RNA) where: Base-Base interactions energy: -1052.274 where: short stacking energy: -434.071 Base-Backbone interact. energy: -1.722 local terms energy: -468.365156 where: bonds (distance) C4'-P energy: -85.921 bonds (distance) P-C4' energy: -88.956 flat angles C4'-P-C4' energy: -105.237 flat angles P-C4'-P energy: -61.991 tors. eta vs tors. theta energy: -126.259 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: 7 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1461.900440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.900440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.900440 (E_RNA) where: Base-Base interactions energy: -1009.737 where: short stacking energy: -409.444 Base-Backbone interact. energy: 1.156 local terms energy: -453.319258 where: bonds (distance) C4'-P energy: -82.420 bonds (distance) P-C4' energy: -82.544 flat angles C4'-P-C4' energy: -98.824 flat angles P-C4'-P energy: -72.119 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: 6, replica: 2 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1210.031722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.031722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.031722 (E_RNA) where: Base-Base interactions energy: -816.660 where: short stacking energy: -326.338 Base-Backbone interact. energy: -1.480 local terms energy: -391.891226 where: bonds (distance) C4'-P energy: -72.897 bonds (distance) P-C4' energy: -89.727 flat angles C4'-P-C4' energy: -94.063 flat angles P-C4'-P energy: -44.048 tors. eta vs tors. theta energy: -91.156 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: 9 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -957.785326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.785326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.785326 (E_RNA) where: Base-Base interactions energy: -579.769 where: short stacking energy: -290.208 Base-Backbone interact. energy: 2.859 local terms energy: -380.874785 where: bonds (distance) C4'-P energy: -76.683 bonds (distance) P-C4' energy: -97.685 flat angles C4'-P-C4' energy: -70.704 flat angles P-C4'-P energy: -64.833 tors. eta vs tors. theta energy: -70.969 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: 8, replica: 5 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -916.585028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.585028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.585028 (E_RNA) where: Base-Base interactions energy: -581.670 where: short stacking energy: -260.052 Base-Backbone interact. energy: 0.498 local terms energy: -335.412810 where: bonds (distance) C4'-P energy: -70.054 bonds (distance) P-C4' energy: -78.994 flat angles C4'-P-C4' energy: -84.899 flat angles P-C4'-P energy: -62.224 tors. eta vs tors. theta energy: -39.242 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: 10 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -750.586326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.586326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.586326 (E_RNA) where: Base-Base interactions energy: -441.250 where: short stacking energy: -200.085 Base-Backbone interact. energy: 3.627 local terms energy: -312.963092 where: bonds (distance) C4'-P energy: -78.187 bonds (distance) P-C4' energy: -82.835 flat angles C4'-P-C4' energy: -86.779 flat angles P-C4'-P energy: -45.522 tors. eta vs tors. theta energy: -19.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -362.632633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.632633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.632633 (E_RNA) where: Base-Base interactions energy: -120.487 where: short stacking energy: -87.583 Base-Backbone interact. energy: 1.934 local terms energy: -244.079554 where: bonds (distance) C4'-P energy: -89.398 bonds (distance) P-C4' energy: -72.443 flat angles C4'-P-C4' energy: -56.623 flat angles P-C4'-P energy: -46.830 tors. eta vs tors. theta energy: 21.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1755.978093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.978093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.978093 (E_RNA) where: Base-Base interactions energy: -1211.397 where: short stacking energy: -479.419 Base-Backbone interact. energy: -2.429 local terms energy: -542.151941 where: bonds (distance) C4'-P energy: -101.227 bonds (distance) P-C4' energy: -87.821 flat angles C4'-P-C4' energy: -111.521 flat angles P-C4'-P energy: -86.374 tors. eta vs tors. theta energy: -155.209 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: 4 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1640.202834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.202834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.202834 (E_RNA) where: Base-Base interactions energy: -1118.012 where: short stacking energy: -472.509 Base-Backbone interact. energy: -0.056 local terms energy: -522.135137 where: bonds (distance) C4'-P energy: -93.554 bonds (distance) P-C4' energy: -100.015 flat angles C4'-P-C4' energy: -113.049 flat angles P-C4'-P energy: -76.069 tors. eta vs tors. theta energy: -139.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1588.479222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.479222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.479222 (E_RNA) where: Base-Base interactions energy: -1120.818 where: short stacking energy: -444.727 Base-Backbone interact. energy: -2.317 local terms energy: -465.344258 where: bonds (distance) C4'-P energy: -90.419 bonds (distance) P-C4' energy: -89.760 flat angles C4'-P-C4' energy: -97.132 flat angles P-C4'-P energy: -64.337 tors. eta vs tors. theta energy: -123.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1548.199121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.199121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.199121 (E_RNA) where: Base-Base interactions energy: -1049.927 where: short stacking energy: -438.416 Base-Backbone interact. energy: 1.768 local terms energy: -500.039776 where: bonds (distance) C4'-P energy: -100.853 bonds (distance) P-C4' energy: -86.298 flat angles C4'-P-C4' energy: -99.950 flat angles P-C4'-P energy: -82.382 tors. eta vs tors. theta energy: -130.557 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: 7 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1417.353630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.353630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.353630 (E_RNA) where: Base-Base interactions energy: -967.979 where: short stacking energy: -368.273 Base-Backbone interact. energy: -3.584 local terms energy: -445.790805 where: bonds (distance) C4'-P energy: -77.834 bonds (distance) P-C4' energy: -103.550 flat angles C4'-P-C4' energy: -97.073 flat angles P-C4'-P energy: -57.925 tors. eta vs tors. theta energy: -109.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1154.374603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.374603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.374603 (E_RNA) where: Base-Base interactions energy: -725.450 where: short stacking energy: -311.547 Base-Backbone interact. energy: 1.906 local terms energy: -430.830562 where: bonds (distance) C4'-P energy: -89.347 bonds (distance) P-C4' energy: -100.047 flat angles C4'-P-C4' energy: -85.073 flat angles P-C4'-P energy: -75.828 tors. eta vs tors. theta energy: -80.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -946.315904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.315904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.315904 (E_RNA) where: Base-Base interactions energy: -571.491 where: short stacking energy: -262.195 Base-Backbone interact. energy: 1.196 local terms energy: -376.020902 where: bonds (distance) C4'-P energy: -71.853 bonds (distance) P-C4' energy: -95.667 flat angles C4'-P-C4' energy: -89.201 flat angles P-C4'-P energy: -61.790 tors. eta vs tors. theta energy: -57.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -896.057492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.057492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.057492 (E_RNA) where: Base-Base interactions energy: -536.569 where: short stacking energy: -243.447 Base-Backbone interact. energy: -0.439 local terms energy: -359.050161 where: bonds (distance) C4'-P energy: -77.151 bonds (distance) P-C4' energy: -95.585 flat angles C4'-P-C4' energy: -87.224 flat angles P-C4'-P energy: -50.492 tors. eta vs tors. theta energy: -48.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -728.566538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.566538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.566538 (E_RNA) where: Base-Base interactions energy: -408.606 where: short stacking energy: -209.941 Base-Backbone interact. energy: -2.109 local terms energy: -317.851942 where: bonds (distance) C4'-P energy: -84.367 bonds (distance) P-C4' energy: -75.416 flat angles C4'-P-C4' energy: -78.207 flat angles P-C4'-P energy: -47.614 tors. eta vs tors. theta energy: -32.248 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: 8 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -369.551455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.551455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.551455 (E_RNA) where: Base-Base interactions energy: -119.346 where: short stacking energy: -95.664 Base-Backbone interact. energy: 0.425 local terms energy: -250.630583 where: bonds (distance) C4'-P energy: -74.064 bonds (distance) P-C4' energy: -78.682 flat angles C4'-P-C4' energy: -77.626 flat angles P-C4'-P energy: -39.280 tors. eta vs tors. theta energy: 19.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1773.874065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.874065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.874065 (E_RNA) where: Base-Base interactions energy: -1225.216 where: short stacking energy: -489.415 Base-Backbone interact. energy: -2.962 local terms energy: -545.696266 where: bonds (distance) C4'-P energy: -97.096 bonds (distance) P-C4' energy: -95.304 flat angles C4'-P-C4' energy: -115.648 flat angles P-C4'-P energy: -81.973 tors. eta vs tors. theta energy: -155.675 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: 2, replica: 4 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1608.904119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.904119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.904119 (E_RNA) where: Base-Base interactions energy: -1127.150 where: short stacking energy: -451.834 Base-Backbone interact. energy: 9.805 local terms energy: -491.559409 where: bonds (distance) C4'-P energy: -83.580 bonds (distance) P-C4' energy: -95.939 flat angles C4'-P-C4' energy: -109.736 flat angles P-C4'-P energy: -78.378 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: 1 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1629.181425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.181425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.181425 (E_RNA) where: Base-Base interactions energy: -1140.992 where: short stacking energy: -446.875 Base-Backbone interact. energy: -3.680 local terms energy: -484.509165 where: bonds (distance) C4'-P energy: -84.548 bonds (distance) P-C4' energy: -93.125 flat angles C4'-P-C4' energy: -99.200 flat angles P-C4'-P energy: -74.423 tors. eta vs tors. theta energy: -133.214 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: 3 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1569.822124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.822124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.822124 (E_RNA) where: Base-Base interactions energy: -1068.684 where: short stacking energy: -472.406 Base-Backbone interact. energy: -1.342 local terms energy: -499.795993 where: bonds (distance) C4'-P energy: -91.017 bonds (distance) P-C4' energy: -93.774 flat angles C4'-P-C4' energy: -106.052 flat angles P-C4'-P energy: -75.184 tors. eta vs tors. theta energy: -133.769 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: 5, replica: 7 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1448.489548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.489548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.489548 (E_RNA) where: Base-Base interactions energy: -991.220 where: short stacking energy: -404.042 Base-Backbone interact. energy: -2.556 local terms energy: -454.713573 where: bonds (distance) C4'-P energy: -84.323 bonds (distance) P-C4' energy: -95.302 flat angles C4'-P-C4' energy: -90.476 flat angles P-C4'-P energy: -64.860 tors. eta vs tors. theta energy: -119.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1101.087931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.087931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.087931 (E_RNA) where: Base-Base interactions energy: -692.412 where: short stacking energy: -324.750 Base-Backbone interact. energy: 0.108 local terms energy: -408.783889 where: bonds (distance) C4'-P energy: -85.967 bonds (distance) P-C4' energy: -93.322 flat angles C4'-P-C4' energy: -86.074 flat angles P-C4'-P energy: -64.868 tors. eta vs tors. theta energy: -78.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -981.365084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.365084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.365084 (E_RNA) where: Base-Base interactions energy: -613.619 where: short stacking energy: -300.800 Base-Backbone interact. energy: 0.742 local terms energy: -368.488068 where: bonds (distance) C4'-P energy: -71.318 bonds (distance) P-C4' energy: -92.808 flat angles C4'-P-C4' energy: -89.427 flat angles P-C4'-P energy: -44.826 tors. eta vs tors. theta energy: -70.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -881.632338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.632338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.632338 (E_RNA) where: Base-Base interactions energy: -534.397 where: short stacking energy: -289.138 Base-Backbone interact. energy: 0.002 local terms energy: -347.236889 where: bonds (distance) C4'-P energy: -72.286 bonds (distance) P-C4' energy: -92.668 flat angles C4'-P-C4' energy: -81.245 flat angles P-C4'-P energy: -45.539 tors. eta vs tors. theta energy: -55.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -761.706889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.706889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.706889 (E_RNA) where: Base-Base interactions energy: -467.815 where: short stacking energy: -230.346 Base-Backbone interact. energy: -1.719 local terms energy: -292.172745 where: bonds (distance) C4'-P energy: -69.839 bonds (distance) P-C4' energy: -74.315 flat angles C4'-P-C4' energy: -63.982 flat angles P-C4'-P energy: -45.832 tors. eta vs tors. theta energy: -38.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -384.707483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.707483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.707483 (E_RNA) where: Base-Base interactions energy: -124.312 where: short stacking energy: -87.704 Base-Backbone interact. energy: -1.379 local terms energy: -259.016695 where: bonds (distance) C4'-P energy: -92.991 bonds (distance) P-C4' energy: -76.988 flat angles C4'-P-C4' energy: -63.531 flat angles P-C4'-P energy: -54.073 tors. eta vs tors. theta energy: 28.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1711.063293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.063293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.063293 (E_RNA) where: Base-Base interactions energy: -1195.365 where: short stacking energy: -480.204 Base-Backbone interact. energy: -1.367 local terms energy: -514.330977 where: bonds (distance) C4'-P energy: -93.857 bonds (distance) P-C4' energy: -94.354 flat angles C4'-P-C4' energy: -108.689 flat angles P-C4'-P energy: -70.688 tors. eta vs tors. theta energy: -146.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1653.547893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.547893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.547893 (E_RNA) where: Base-Base interactions energy: -1145.382 where: short stacking energy: -464.705 Base-Backbone interact. energy: 1.886 local terms energy: -510.051973 where: bonds (distance) C4'-P energy: -98.081 bonds (distance) P-C4' energy: -103.412 flat angles C4'-P-C4' energy: -104.799 flat angles P-C4'-P energy: -74.779 tors. eta vs tors. theta energy: -128.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1670.551466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.551466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.551466 (E_RNA) where: Base-Base interactions energy: -1158.395 where: short stacking energy: -473.244 Base-Backbone interact. energy: -3.046 local terms energy: -509.111008 where: bonds (distance) C4'-P energy: -93.078 bonds (distance) P-C4' energy: -95.061 flat angles C4'-P-C4' energy: -106.350 flat angles P-C4'-P energy: -71.936 tors. eta vs tors. theta energy: -142.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1555.341421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.341421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.341421 (E_RNA) where: Base-Base interactions energy: -1046.920 where: short stacking energy: -453.298 Base-Backbone interact. energy: -0.786 local terms energy: -507.635656 where: bonds (distance) C4'-P energy: -91.922 bonds (distance) P-C4' energy: -92.529 flat angles C4'-P-C4' energy: -113.613 flat angles P-C4'-P energy: -78.455 tors. eta vs tors. theta energy: -131.117 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: 7 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1435.687749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.687749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.687749 (E_RNA) where: Base-Base interactions energy: -1005.137 where: short stacking energy: -409.388 Base-Backbone interact. energy: -1.946 local terms energy: -428.604167 where: bonds (distance) C4'-P energy: -75.951 bonds (distance) P-C4' energy: -77.350 flat angles C4'-P-C4' energy: -97.749 flat angles P-C4'-P energy: -55.524 tors. eta vs tors. theta energy: -122.030 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: 6, replica: 2 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1184.965462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.965462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.965462 (E_RNA) where: Base-Base interactions energy: -759.144 where: short stacking energy: -321.635 Base-Backbone interact. energy: -0.040 local terms energy: -425.781290 where: bonds (distance) C4'-P energy: -85.576 bonds (distance) P-C4' energy: -99.586 flat angles C4'-P-C4' energy: -88.815 flat angles P-C4'-P energy: -63.056 tors. eta vs tors. theta energy: -88.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -967.583379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.583379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.583379 (E_RNA) where: Base-Base interactions energy: -629.391 where: short stacking energy: -291.748 Base-Backbone interact. energy: 1.774 local terms energy: -339.966868 where: bonds (distance) C4'-P energy: -80.761 bonds (distance) P-C4' energy: -81.248 flat angles C4'-P-C4' energy: -81.730 flat angles P-C4'-P energy: -42.351 tors. eta vs tors. theta energy: -53.878 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: 8, replica: 5 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -891.102863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.102863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.102863 (E_RNA) where: Base-Base interactions energy: -547.846 where: short stacking energy: -261.540 Base-Backbone interact. energy: 1.654 local terms energy: -344.910479 where: bonds (distance) C4'-P energy: -86.342 bonds (distance) P-C4' energy: -90.881 flat angles C4'-P-C4' energy: -53.759 flat angles P-C4'-P energy: -61.080 tors. eta vs tors. theta energy: -52.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -764.831062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.831062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.831062 (E_RNA) where: Base-Base interactions energy: -444.910 where: short stacking energy: -189.660 Base-Backbone interact. energy: 1.584 local terms energy: -321.505207 where: bonds (distance) C4'-P energy: -82.503 bonds (distance) P-C4' energy: -90.863 flat angles C4'-P-C4' energy: -76.938 flat angles P-C4'-P energy: -45.374 tors. eta vs tors. theta energy: -25.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -401.638557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.638557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.638557 (E_RNA) where: Base-Base interactions energy: -147.614 where: short stacking energy: -103.772 Base-Backbone interact. energy: -0.675 local terms energy: -253.350080 where: bonds (distance) C4'-P energy: -81.408 bonds (distance) P-C4' energy: -78.039 flat angles C4'-P-C4' energy: -55.654 flat angles P-C4'-P energy: -46.880 tors. eta vs tors. theta energy: 8.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1727.077957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.077957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.077957 (E_RNA) where: Base-Base interactions energy: -1202.767 where: short stacking energy: -461.762 Base-Backbone interact. energy: -2.577 local terms energy: -521.733982 where: bonds (distance) C4'-P energy: -96.095 bonds (distance) P-C4' energy: -90.538 flat angles C4'-P-C4' energy: -107.115 flat angles P-C4'-P energy: -82.533 tors. eta vs tors. theta energy: -145.453 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: 4 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1671.968173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.968173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.968173 (E_RNA) where: Base-Base interactions energy: -1181.127 where: short stacking energy: -468.324 Base-Backbone interact. energy: -2.796 local terms energy: -488.045332 where: bonds (distance) C4'-P energy: -88.037 bonds (distance) P-C4' energy: -74.864 flat angles C4'-P-C4' energy: -113.106 flat angles P-C4'-P energy: -75.515 tors. eta vs tors. theta energy: -136.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1656.472055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.472055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.472055 (E_RNA) where: Base-Base interactions energy: -1148.903 where: short stacking energy: -475.216 Base-Backbone interact. energy: -2.780 local terms energy: -504.788775 where: bonds (distance) C4'-P energy: -91.144 bonds (distance) P-C4' energy: -98.902 flat angles C4'-P-C4' energy: -101.435 flat angles P-C4'-P energy: -63.765 tors. eta vs tors. theta energy: -149.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1533.686217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.686217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.686217 (E_RNA) where: Base-Base interactions energy: -1059.903 where: short stacking energy: -452.069 Base-Backbone interact. energy: -1.189 local terms energy: -472.593870 where: bonds (distance) C4'-P energy: -79.575 bonds (distance) P-C4' energy: -82.935 flat angles C4'-P-C4' energy: -109.352 flat angles P-C4'-P energy: -70.634 tors. eta vs tors. theta energy: -130.097 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: 70 Temperature: 1.100000 Total energy: -1443.865115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.865115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.865115 (E_RNA) where: Base-Base interactions energy: -998.905 where: short stacking energy: -408.538 Base-Backbone interact. energy: 1.222 local terms energy: -446.182303 where: bonds (distance) C4'-P energy: -78.802 bonds (distance) P-C4' energy: -90.174 flat angles C4'-P-C4' energy: -107.267 flat angles P-C4'-P energy: -59.051 tors. eta vs tors. theta energy: -110.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1141.077218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.077218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.077218 (E_RNA) where: Base-Base interactions energy: -740.702 where: short stacking energy: -318.557 Base-Backbone interact. energy: -0.775 local terms energy: -399.600692 where: bonds (distance) C4'-P energy: -81.195 bonds (distance) P-C4' energy: -88.303 flat angles C4'-P-C4' energy: -98.539 flat angles P-C4'-P energy: -50.484 tors. eta vs tors. theta energy: -81.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1023.635813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.635813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.635813 (E_RNA) where: Base-Base interactions energy: -665.596 where: short stacking energy: -311.960 Base-Backbone interact. energy: 0.703 local terms energy: -358.742700 where: bonds (distance) C4'-P energy: -74.552 bonds (distance) P-C4' energy: -91.483 flat angles C4'-P-C4' energy: -76.342 flat angles P-C4'-P energy: -51.320 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: 5 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -888.847705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.847705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.847705 (E_RNA) where: Base-Base interactions energy: -536.354 where: short stacking energy: -259.577 Base-Backbone interact. energy: -2.805 local terms energy: -349.687933 where: bonds (distance) C4'-P energy: -74.023 bonds (distance) P-C4' energy: -88.308 flat angles C4'-P-C4' energy: -84.677 flat angles P-C4'-P energy: -61.978 tors. eta vs tors. theta energy: -40.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -712.435922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.435922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.435922 (E_RNA) where: Base-Base interactions energy: -427.147 where: short stacking energy: -193.667 Base-Backbone interact. energy: 1.395 local terms energy: -286.684039 where: bonds (distance) C4'-P energy: -73.174 bonds (distance) P-C4' energy: -86.235 flat angles C4'-P-C4' energy: -60.868 flat angles P-C4'-P energy: -41.409 tors. eta vs tors. theta energy: -24.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -359.917855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.917855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.917855 (E_RNA) where: Base-Base interactions energy: -117.800 where: short stacking energy: -98.172 Base-Backbone interact. energy: 8.543 local terms energy: -250.660675 where: bonds (distance) C4'-P energy: -74.061 bonds (distance) P-C4' energy: -92.180 flat angles C4'-P-C4' energy: -67.617 flat angles P-C4'-P energy: -47.994 tors. eta vs tors. theta energy: 31.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1749.679761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.679761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.679761 (E_RNA) where: Base-Base interactions energy: -1213.763 where: short stacking energy: -508.764 Base-Backbone interact. energy: 1.240 local terms energy: -537.156887 where: bonds (distance) C4'-P energy: -94.182 bonds (distance) P-C4' energy: -111.965 flat angles C4'-P-C4' energy: -110.055 flat angles P-C4'-P energy: -69.474 tors. eta vs tors. theta energy: -151.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1672.721879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.721879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.721879 (E_RNA) where: Base-Base interactions energy: -1169.323 where: short stacking energy: -482.643 Base-Backbone interact. energy: -3.230 local terms energy: -500.169118 where: bonds (distance) C4'-P energy: -90.819 bonds (distance) P-C4' energy: -90.361 flat angles C4'-P-C4' energy: -109.770 flat angles P-C4'-P energy: -73.703 tors. eta vs tors. theta energy: -135.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1651.680842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.680842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.680842 (E_RNA) where: Base-Base interactions energy: -1163.839 where: short stacking energy: -479.991 Base-Backbone interact. energy: 0.140 local terms energy: -487.981787 where: bonds (distance) C4'-P energy: -87.890 bonds (distance) P-C4' energy: -87.735 flat angles C4'-P-C4' energy: -97.838 flat angles P-C4'-P energy: -78.067 tors. eta vs tors. theta energy: -136.451 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: 71 Temperature: 1.050000 Total energy: -1545.918093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.918093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.918093 (E_RNA) where: Base-Base interactions energy: -1046.276 where: short stacking energy: -440.957 Base-Backbone interact. energy: -1.589 local terms energy: -498.052297 where: bonds (distance) C4'-P energy: -91.566 bonds (distance) P-C4' energy: -103.480 flat angles C4'-P-C4' energy: -100.245 flat angles P-C4'-P energy: -67.583 tors. eta vs tors. theta energy: -135.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1428.210001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.210001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.210001 (E_RNA) where: Base-Base interactions energy: -972.587 where: short stacking energy: -409.252 Base-Backbone interact. energy: -4.212 local terms energy: -451.410701 where: bonds (distance) C4'-P energy: -96.368 bonds (distance) P-C4' energy: -89.878 flat angles C4'-P-C4' energy: -93.732 flat angles P-C4'-P energy: -55.407 tors. eta vs tors. theta energy: -116.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1156.974571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.974571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.974571 (E_RNA) where: Base-Base interactions energy: -767.675 where: short stacking energy: -342.590 Base-Backbone interact. energy: -0.636 local terms energy: -388.662712 where: bonds (distance) C4'-P energy: -80.892 bonds (distance) P-C4' energy: -86.371 flat angles C4'-P-C4' energy: -74.966 flat angles P-C4'-P energy: -58.325 tors. eta vs tors. theta energy: -88.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -978.678397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.678397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.678397 (E_RNA) where: Base-Base interactions energy: -601.341 where: short stacking energy: -283.848 Base-Backbone interact. energy: -0.700 local terms energy: -376.637578 where: bonds (distance) C4'-P energy: -83.359 bonds (distance) P-C4' energy: -93.981 flat angles C4'-P-C4' energy: -88.563 flat angles P-C4'-P energy: -53.817 tors. eta vs tors. theta energy: -56.918 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: 5 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -881.995476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.995476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.995476 (E_RNA) where: Base-Base interactions energy: -548.191 where: short stacking energy: -247.244 Base-Backbone interact. energy: 3.495 local terms energy: -337.299267 where: bonds (distance) C4'-P energy: -73.462 bonds (distance) P-C4' energy: -83.426 flat angles C4'-P-C4' energy: -87.323 flat angles P-C4'-P energy: -49.806 tors. eta vs tors. theta energy: -43.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -725.598658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.598658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.598658 (E_RNA) where: Base-Base interactions energy: -453.093 where: short stacking energy: -206.971 Base-Backbone interact. energy: 2.396 local terms energy: -274.901659 where: bonds (distance) C4'-P energy: -80.222 bonds (distance) P-C4' energy: -81.338 flat angles C4'-P-C4' energy: -48.469 flat angles P-C4'-P energy: -46.959 tors. eta vs tors. theta energy: -17.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -371.361326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.361326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.361326 (E_RNA) where: Base-Base interactions energy: -123.973 where: short stacking energy: -81.099 Base-Backbone interact. energy: 2.239 local terms energy: -249.627116 where: bonds (distance) C4'-P energy: -73.144 bonds (distance) P-C4' energy: -78.175 flat angles C4'-P-C4' energy: -65.168 flat angles P-C4'-P energy: -53.120 tors. eta vs tors. theta energy: 19.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1688.295015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.295015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.295015 (E_RNA) where: Base-Base interactions energy: -1179.312 where: short stacking energy: -487.395 Base-Backbone interact. energy: -0.932 local terms energy: -508.051394 where: bonds (distance) C4'-P energy: -102.054 bonds (distance) P-C4' energy: -83.127 flat angles C4'-P-C4' energy: -114.689 flat angles P-C4'-P energy: -72.950 tors. eta vs tors. theta energy: -135.232 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: 6 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1703.541461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.541461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.541461 (E_RNA) where: Base-Base interactions energy: -1189.022 where: short stacking energy: -486.405 Base-Backbone interact. energy: 0.153 local terms energy: -514.671602 where: bonds (distance) C4'-P energy: -99.731 bonds (distance) P-C4' energy: -88.244 flat angles C4'-P-C4' energy: -111.092 flat angles P-C4'-P energy: -61.577 tors. eta vs tors. theta energy: -154.027 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: 3, replica: 1 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1648.658475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.658475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.658475 (E_RNA) where: Base-Base interactions energy: -1143.173 where: short stacking energy: -463.342 Base-Backbone interact. energy: -0.392 local terms energy: -505.094252 where: bonds (distance) C4'-P energy: -95.972 bonds (distance) P-C4' energy: -91.978 flat angles C4'-P-C4' energy: -108.149 flat angles P-C4'-P energy: -71.647 tors. eta vs tors. theta energy: -137.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1543.520232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.520232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.520232 (E_RNA) where: Base-Base interactions energy: -1071.142 where: short stacking energy: -449.562 Base-Backbone interact. energy: -1.529 local terms energy: -470.848496 where: bonds (distance) C4'-P energy: -97.475 bonds (distance) P-C4' energy: -85.233 flat angles C4'-P-C4' energy: -95.609 flat angles P-C4'-P energy: -70.804 tors. eta vs tors. theta energy: -121.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1430.717889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.717889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.717889 (E_RNA) where: Base-Base interactions energy: -948.295 where: short stacking energy: -398.473 Base-Backbone interact. energy: -0.237 local terms energy: -482.186086 where: bonds (distance) C4'-P energy: -92.983 bonds (distance) P-C4' energy: -99.777 flat angles C4'-P-C4' energy: -88.575 flat angles P-C4'-P energy: -79.434 tors. eta vs tors. theta energy: -121.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1231.941262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.941262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.941262 (E_RNA) where: Base-Base interactions energy: -823.824 where: short stacking energy: -342.526 Base-Backbone interact. energy: -2.157 local terms energy: -405.959641 where: bonds (distance) C4'-P energy: -93.809 bonds (distance) P-C4' energy: -76.820 flat angles C4'-P-C4' energy: -86.405 flat angles P-C4'-P energy: -55.557 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: 7, replica: 9 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -937.308721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.308721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.308721 (E_RNA) where: Base-Base interactions energy: -569.988 where: short stacking energy: -276.822 Base-Backbone interact. energy: -0.172 local terms energy: -367.148722 where: bonds (distance) C4'-P energy: -84.051 bonds (distance) P-C4' energy: -92.681 flat angles C4'-P-C4' energy: -75.102 flat angles P-C4'-P energy: -57.608 tors. eta vs tors. theta energy: -57.707 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: 8, replica: 5 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -902.921154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.921154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.921154 (E_RNA) where: Base-Base interactions energy: -520.336 where: short stacking energy: -240.477 Base-Backbone interact. energy: 1.080 local terms energy: -383.665202 where: bonds (distance) C4'-P energy: -87.365 bonds (distance) P-C4' energy: -90.554 flat angles C4'-P-C4' energy: -88.488 flat angles P-C4'-P energy: -63.152 tors. eta vs tors. theta energy: -54.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -724.828779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.828779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.828779 (E_RNA) where: Base-Base interactions energy: -427.671 where: short stacking energy: -195.337 Base-Backbone interact. energy: -1.344 local terms energy: -295.814473 where: bonds (distance) C4'-P energy: -81.850 bonds (distance) P-C4' energy: -66.189 flat angles C4'-P-C4' energy: -89.417 flat angles P-C4'-P energy: -40.397 tors. eta vs tors. theta energy: -17.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -350.780878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.780878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.780878 (E_RNA) where: Base-Base interactions energy: -118.539 where: short stacking energy: -99.670 Base-Backbone interact. energy: 1.035 local terms energy: -233.277090 where: bonds (distance) C4'-P energy: -55.855 bonds (distance) P-C4' energy: -88.017 flat angles C4'-P-C4' energy: -58.051 flat angles P-C4'-P energy: -46.129 tors. eta vs tors. theta energy: 14.775 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: 4 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1697.269944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.269944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.269944 (E_RNA) where: Base-Base interactions energy: -1169.103 where: short stacking energy: -486.370 Base-Backbone interact. energy: 2.740 local terms energy: -530.906916 where: bonds (distance) C4'-P energy: -113.181 bonds (distance) P-C4' energy: -96.855 flat angles C4'-P-C4' energy: -113.777 flat angles P-C4'-P energy: -70.700 tors. eta vs tors. theta energy: -136.393 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: 6 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1700.274374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.274374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.274374 (E_RNA) where: Base-Base interactions energy: -1213.485 where: short stacking energy: -487.580 Base-Backbone interact. energy: 2.642 local terms energy: -489.431610 where: bonds (distance) C4'-P energy: -77.032 bonds (distance) P-C4' energy: -91.539 flat angles C4'-P-C4' energy: -103.528 flat angles P-C4'-P energy: -65.786 tors. eta vs tors. theta energy: -151.546 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: 1 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1653.498910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.498910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.498910 (E_RNA) where: Base-Base interactions energy: -1155.294 where: short stacking energy: -470.300 Base-Backbone interact. energy: -1.585 local terms energy: -496.620084 where: bonds (distance) C4'-P energy: -81.510 bonds (distance) P-C4' energy: -97.389 flat angles C4'-P-C4' energy: -105.983 flat angles P-C4'-P energy: -69.257 tors. eta vs tors. theta energy: -142.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1549.370378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.370378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.370378 (E_RNA) where: Base-Base interactions energy: -1059.882 where: short stacking energy: -423.449 Base-Backbone interact. energy: -2.678 local terms energy: -486.810955 where: bonds (distance) C4'-P energy: -86.909 bonds (distance) P-C4' energy: -96.073 flat angles C4'-P-C4' energy: -104.916 flat angles P-C4'-P energy: -81.125 tors. eta vs tors. theta energy: -117.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1450.659411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.659411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.659411 (E_RNA) where: Base-Base interactions energy: -966.145 where: short stacking energy: -378.789 Base-Backbone interact. energy: -0.775 local terms energy: -483.739335 where: bonds (distance) C4'-P energy: -101.118 bonds (distance) P-C4' energy: -93.029 flat angles C4'-P-C4' energy: -100.478 flat angles P-C4'-P energy: -68.223 tors. eta vs tors. theta energy: -120.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1228.106948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.106948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.106948 (E_RNA) where: Base-Base interactions energy: -829.950 where: short stacking energy: -333.165 Base-Backbone interact. energy: -0.285 local terms energy: -397.871443 where: bonds (distance) C4'-P energy: -74.325 bonds (distance) P-C4' energy: -84.542 flat angles C4'-P-C4' energy: -96.217 flat angles P-C4'-P energy: -54.504 tors. eta vs tors. theta energy: -88.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -968.982357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.982357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.982357 (E_RNA) where: Base-Base interactions energy: -582.694 where: short stacking energy: -273.122 Base-Backbone interact. energy: 1.606 local terms energy: -387.894450 where: bonds (distance) C4'-P energy: -81.941 bonds (distance) P-C4' energy: -98.872 flat angles C4'-P-C4' energy: -86.344 flat angles P-C4'-P energy: -68.059 tors. eta vs tors. theta energy: -52.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -832.711010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.711010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.711010 (E_RNA) where: Base-Base interactions energy: -520.677 where: short stacking energy: -219.279 Base-Backbone interact. energy: 0.097 local terms energy: -312.130843 where: bonds (distance) C4'-P energy: -97.471 bonds (distance) P-C4' energy: -75.043 flat angles C4'-P-C4' energy: -71.124 flat angles P-C4'-P energy: -36.793 tors. eta vs tors. theta energy: -31.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -772.049281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.049281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.049281 (E_RNA) where: Base-Base interactions energy: -454.619 where: short stacking energy: -200.427 Base-Backbone interact. energy: -1.663 local terms energy: -315.767002 where: bonds (distance) C4'-P energy: -75.720 bonds (distance) P-C4' energy: -74.194 flat angles C4'-P-C4' energy: -72.480 flat angles P-C4'-P energy: -53.376 tors. eta vs tors. theta energy: -39.997 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: 73 Temperature: 1.350000 Total energy: -382.662756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.662756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.662756 (E_RNA) where: Base-Base interactions energy: -116.265 where: short stacking energy: -91.637 Base-Backbone interact. energy: 0.889 local terms energy: -267.287251 where: bonds (distance) C4'-P energy: -80.660 bonds (distance) P-C4' energy: -93.558 flat angles C4'-P-C4' energy: -80.394 flat angles P-C4'-P energy: -36.811 tors. eta vs tors. theta energy: 24.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1754.971302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.971302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.971302 (E_RNA) where: Base-Base interactions energy: -1220.278 where: short stacking energy: -489.878 Base-Backbone interact. energy: -1.207 local terms energy: -533.486570 where: bonds (distance) C4'-P energy: -94.082 bonds (distance) P-C4' energy: -94.366 flat angles C4'-P-C4' energy: -110.775 flat angles P-C4'-P energy: -80.010 tors. eta vs tors. theta energy: -154.254 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: 4 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1642.008662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.008662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.008662 (E_RNA) where: Base-Base interactions energy: -1162.191 where: short stacking energy: -471.899 Base-Backbone interact. energy: -1.359 local terms energy: -478.458507 where: bonds (distance) C4'-P energy: -88.211 bonds (distance) P-C4' energy: -78.079 flat angles C4'-P-C4' energy: -111.842 flat angles P-C4'-P energy: -65.338 tors. eta vs tors. theta energy: -134.989 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: 1 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1653.795914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.795914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.795914 (E_RNA) where: Base-Base interactions energy: -1151.335 where: short stacking energy: -447.325 Base-Backbone interact. energy: -1.863 local terms energy: -500.597692 where: bonds (distance) C4'-P energy: -92.229 bonds (distance) P-C4' energy: -91.798 flat angles C4'-P-C4' energy: -100.685 flat angles P-C4'-P energy: -66.582 tors. eta vs tors. theta energy: -149.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1536.756688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.756688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.756688 (E_RNA) where: Base-Base interactions energy: -1057.573 where: short stacking energy: -437.363 Base-Backbone interact. energy: -1.980 local terms energy: -477.203733 where: bonds (distance) C4'-P energy: -94.160 bonds (distance) P-C4' energy: -86.735 flat angles C4'-P-C4' energy: -104.855 flat angles P-C4'-P energy: -63.987 tors. eta vs tors. theta energy: -127.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1389.650773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.650773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.650773 (E_RNA) where: Base-Base interactions energy: -935.116 where: short stacking energy: -352.362 Base-Backbone interact. energy: 2.588 local terms energy: -457.122933 where: bonds (distance) C4'-P energy: -84.149 bonds (distance) P-C4' energy: -108.711 flat angles C4'-P-C4' energy: -96.147 flat angles P-C4'-P energy: -69.343 tors. eta vs tors. theta energy: -98.774 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: 6, replica: 2 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1279.952332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.952332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.952332 (E_RNA) where: Base-Base interactions energy: -857.389 where: short stacking energy: -376.791 Base-Backbone interact. energy: -1.391 local terms energy: -421.172504 where: bonds (distance) C4'-P energy: -73.754 bonds (distance) P-C4' energy: -74.978 flat angles C4'-P-C4' energy: -99.149 flat angles P-C4'-P energy: -59.954 tors. eta vs tors. theta energy: -113.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -960.582324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.582324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.582324 (E_RNA) where: Base-Base interactions energy: -595.850 where: short stacking energy: -266.832 Base-Backbone interact. energy: -1.712 local terms energy: -363.021031 where: bonds (distance) C4'-P energy: -58.138 bonds (distance) P-C4' energy: -87.194 flat angles C4'-P-C4' energy: -94.748 flat angles P-C4'-P energy: -65.554 tors. eta vs tors. theta energy: -57.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -828.397475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.397475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.397475 (E_RNA) where: Base-Base interactions energy: -524.178 where: short stacking energy: -237.430 Base-Backbone interact. energy: 5.724 local terms energy: -309.943446 where: bonds (distance) C4'-P energy: -75.516 bonds (distance) P-C4' energy: -83.305 flat angles C4'-P-C4' energy: -75.133 flat angles P-C4'-P energy: -50.800 tors. eta vs tors. theta energy: -25.190 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: 10 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -745.906931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.906931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.906931 (E_RNA) where: Base-Base interactions energy: -437.214 where: short stacking energy: -211.229 Base-Backbone interact. energy: -2.089 local terms energy: -306.604732 where: bonds (distance) C4'-P energy: -66.028 bonds (distance) P-C4' energy: -83.717 flat angles C4'-P-C4' energy: -66.171 flat angles P-C4'-P energy: -55.677 tors. eta vs tors. theta energy: -35.012 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: 74 Temperature: 1.350000 Total energy: -394.785410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.785410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.785410 (E_RNA) where: Base-Base interactions energy: -178.643 where: short stacking energy: -122.264 Base-Backbone interact. energy: 3.893 local terms energy: -220.035437 where: bonds (distance) C4'-P energy: -67.732 bonds (distance) P-C4' energy: -75.510 flat angles C4'-P-C4' energy: -59.160 flat angles P-C4'-P energy: -34.352 tors. eta vs tors. theta energy: 16.720 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: 6 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1742.061062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.061062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.061062 (E_RNA) where: Base-Base interactions energy: -1214.817 where: short stacking energy: -485.847 Base-Backbone interact. energy: -1.317 local terms energy: -525.926811 where: bonds (distance) C4'-P energy: -97.143 bonds (distance) P-C4' energy: -91.055 flat angles C4'-P-C4' energy: -113.674 flat angles P-C4'-P energy: -74.113 tors. eta vs tors. theta energy: -149.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1637.168643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.168643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.168643 (E_RNA) where: Base-Base interactions energy: -1149.263 where: short stacking energy: -483.834 Base-Backbone interact. energy: 3.511 local terms energy: -491.416963 where: bonds (distance) C4'-P energy: -82.028 bonds (distance) P-C4' energy: -86.405 flat angles C4'-P-C4' energy: -113.359 flat angles P-C4'-P energy: -74.539 tors. eta vs tors. theta energy: -135.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -1665.269450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.269450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.269450 (E_RNA) where: Base-Base interactions energy: -1171.349 where: short stacking energy: -473.134 Base-Backbone interact. energy: 0.108 local terms energy: -494.028505 where: bonds (distance) C4'-P energy: -83.858 bonds (distance) P-C4' energy: -93.439 flat angles C4'-P-C4' energy: -104.867 flat angles P-C4'-P energy: -67.247 tors. eta vs tors. theta energy: -144.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1543.512815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.512815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.512815 (E_RNA) where: Base-Base interactions energy: -1079.719 where: short stacking energy: -446.253 Base-Backbone interact. energy: -1.432 local terms energy: -462.361423 where: bonds (distance) C4'-P energy: -73.523 bonds (distance) P-C4' energy: -82.129 flat angles C4'-P-C4' energy: -103.194 flat angles P-C4'-P energy: -66.003 tors. eta vs tors. theta energy: -137.512 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: 7 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1407.550352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.550352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.550352 (E_RNA) where: Base-Base interactions energy: -971.587 where: short stacking energy: -394.348 Base-Backbone interact. energy: 0.979 local terms energy: -436.941962 where: bonds (distance) C4'-P energy: -73.775 bonds (distance) P-C4' energy: -78.183 flat angles C4'-P-C4' energy: -99.034 flat angles P-C4'-P energy: -76.525 tors. eta vs tors. theta energy: -109.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1291.370226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.370226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.370226 (E_RNA) where: Base-Base interactions energy: -866.094 where: short stacking energy: -374.130 Base-Backbone interact. energy: -1.294 local terms energy: -423.982648 where: bonds (distance) C4'-P energy: -80.184 bonds (distance) P-C4' energy: -95.531 flat angles C4'-P-C4' energy: -85.616 flat angles P-C4'-P energy: -59.143 tors. eta vs tors. theta energy: -103.508 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: 9 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -998.504251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.504251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.504251 (E_RNA) where: Base-Base interactions energy: -614.213 where: short stacking energy: -297.358 Base-Backbone interact. energy: 0.905 local terms energy: -385.196036 where: bonds (distance) C4'-P energy: -72.681 bonds (distance) P-C4' energy: -93.176 flat angles C4'-P-C4' energy: -85.910 flat angles P-C4'-P energy: -60.318 tors. eta vs tors. theta energy: -73.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -874.508206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.508206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.508206 (E_RNA) where: Base-Base interactions energy: -506.934 where: short stacking energy: -211.657 Base-Backbone interact. energy: 4.772 local terms energy: -372.345275 where: bonds (distance) C4'-P energy: -89.924 bonds (distance) P-C4' energy: -92.527 flat angles C4'-P-C4' energy: -89.040 flat angles P-C4'-P energy: -62.789 tors. eta vs tors. theta energy: -38.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -738.922938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.922938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.922938 (E_RNA) where: Base-Base interactions energy: -444.426 where: short stacking energy: -214.122 Base-Backbone interact. energy: -1.762 local terms energy: -292.735105 where: bonds (distance) C4'-P energy: -57.780 bonds (distance) P-C4' energy: -76.437 flat angles C4'-P-C4' energy: -79.807 flat angles P-C4'-P energy: -49.608 tors. eta vs tors. theta energy: -29.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -371.438810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.438810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.438810 (E_RNA) where: Base-Base interactions energy: -131.744 where: short stacking energy: -99.240 Base-Backbone interact. energy: 0.297 local terms energy: -239.991357 where: bonds (distance) C4'-P energy: -69.490 bonds (distance) P-C4' energy: -94.843 flat angles C4'-P-C4' energy: -59.677 flat angles P-C4'-P energy: -34.943 tors. eta vs tors. theta energy: 18.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1751.758573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.758573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.758573 (E_RNA) where: Base-Base interactions energy: -1235.945 where: short stacking energy: -504.518 Base-Backbone interact. energy: -3.168 local terms energy: -512.645218 where: bonds (distance) C4'-P energy: -88.756 bonds (distance) P-C4' energy: -86.943 flat angles C4'-P-C4' energy: -115.367 flat angles P-C4'-P energy: -74.183 tors. eta vs tors. theta energy: -147.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1614.421204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.421204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.421204 (E_RNA) where: Base-Base interactions energy: -1131.066 where: short stacking energy: -468.344 Base-Backbone interact. energy: -3.229 local terms energy: -480.127056 where: bonds (distance) C4'-P energy: -76.601 bonds (distance) P-C4' energy: -94.104 flat angles C4'-P-C4' energy: -106.907 flat angles P-C4'-P energy: -76.664 tors. eta vs tors. theta energy: -125.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1653.193472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.193472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.193472 (E_RNA) where: Base-Base interactions energy: -1122.743 where: short stacking energy: -446.936 Base-Backbone interact. energy: -3.161 local terms energy: -527.289082 where: bonds (distance) C4'-P energy: -97.481 bonds (distance) P-C4' energy: -92.268 flat angles C4'-P-C4' energy: -116.394 flat angles P-C4'-P energy: -82.554 tors. eta vs tors. theta energy: -138.593 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: 76 Temperature: 1.050000 Total energy: -1577.652354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.652354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.652354 (E_RNA) where: Base-Base interactions energy: -1086.817 where: short stacking energy: -458.634 Base-Backbone interact. energy: -1.070 local terms energy: -489.765688 where: bonds (distance) C4'-P energy: -82.958 bonds (distance) P-C4' energy: -92.270 flat angles C4'-P-C4' energy: -99.854 flat angles P-C4'-P energy: -70.206 tors. eta vs tors. theta energy: -144.479 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: 5, replica: 7 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1366.294404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.294404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.294404 (E_RNA) where: Base-Base interactions energy: -952.429 where: short stacking energy: -398.632 Base-Backbone interact. energy: 3.701 local terms energy: -417.566216 where: bonds (distance) C4'-P energy: -81.897 bonds (distance) P-C4' energy: -66.696 flat angles C4'-P-C4' energy: -92.948 flat angles P-C4'-P energy: -63.843 tors. eta vs tors. theta energy: -112.183 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: 2 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1270.711165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.711165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.711165 (E_RNA) where: Base-Base interactions energy: -852.489 where: short stacking energy: -376.144 Base-Backbone interact. energy: -3.101 local terms energy: -415.121204 where: bonds (distance) C4'-P energy: -83.530 bonds (distance) P-C4' energy: -78.610 flat angles C4'-P-C4' energy: -90.564 flat angles P-C4'-P energy: -64.917 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: 7, replica: 9 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1015.423307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.423307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.423307 (E_RNA) where: Base-Base interactions energy: -643.343 where: short stacking energy: -290.423 Base-Backbone interact. energy: 0.866 local terms energy: -372.946323 where: bonds (distance) C4'-P energy: -85.836 bonds (distance) P-C4' energy: -87.478 flat angles C4'-P-C4' energy: -88.847 flat angles P-C4'-P energy: -41.126 tors. eta vs tors. theta energy: -69.660 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: 5 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -895.373154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.373154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.373154 (E_RNA) where: Base-Base interactions energy: -559.705 where: short stacking energy: -241.176 Base-Backbone interact. energy: 0.290 local terms energy: -335.958181 where: bonds (distance) C4'-P energy: -77.058 bonds (distance) P-C4' energy: -81.091 flat angles C4'-P-C4' energy: -88.227 flat angles P-C4'-P energy: -52.946 tors. eta vs tors. theta energy: -36.636 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: 10 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -772.820375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.820375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.820375 (E_RNA) where: Base-Base interactions energy: -474.074 where: short stacking energy: -211.523 Base-Backbone interact. energy: 3.710 local terms energy: -302.456493 where: bonds (distance) C4'-P energy: -73.293 bonds (distance) P-C4' energy: -65.808 flat angles C4'-P-C4' energy: -73.956 flat angles P-C4'-P energy: -57.915 tors. eta vs tors. theta energy: -31.484 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: 10, replica: 8 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -384.322127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.322127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.322127 (E_RNA) where: Base-Base interactions energy: -147.571 where: short stacking energy: -96.597 Base-Backbone interact. energy: -1.273 local terms energy: -235.477943 where: bonds (distance) C4'-P energy: -73.869 bonds (distance) P-C4' energy: -78.333 flat angles C4'-P-C4' energy: -68.508 flat angles P-C4'-P energy: -34.230 tors. eta vs tors. theta energy: 19.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1747.167988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.167988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.167988 (E_RNA) where: Base-Base interactions energy: -1217.698 where: short stacking energy: -498.295 Base-Backbone interact. energy: -0.418 local terms energy: -529.052056 where: bonds (distance) C4'-P energy: -94.857 bonds (distance) P-C4' energy: -109.465 flat angles C4'-P-C4' energy: -111.726 flat angles P-C4'-P energy: -73.861 tors. eta vs tors. theta energy: -139.143 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: 2, replica: 1 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1703.615715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.615715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.615715 (E_RNA) where: Base-Base interactions energy: -1191.628 where: short stacking energy: -483.615 Base-Backbone interact. energy: -1.492 local terms energy: -510.495383 where: bonds (distance) C4'-P energy: -96.043 bonds (distance) P-C4' energy: -91.070 flat angles C4'-P-C4' energy: -108.659 flat angles P-C4'-P energy: -64.198 tors. eta vs tors. theta energy: -150.526 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: 4 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1587.428652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.428652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.428652 (E_RNA) where: Base-Base interactions energy: -1121.660 where: short stacking energy: -433.995 Base-Backbone interact. energy: -0.581 local terms energy: -465.187679 where: bonds (distance) C4'-P energy: -85.233 bonds (distance) P-C4' energy: -85.754 flat angles C4'-P-C4' energy: -100.471 flat angles P-C4'-P energy: -67.172 tors. eta vs tors. theta energy: -126.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1561.513143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.513143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.513143 (E_RNA) where: Base-Base interactions energy: -1093.634 where: short stacking energy: -443.963 Base-Backbone interact. energy: 0.826 local terms energy: -468.705207 where: bonds (distance) C4'-P energy: -85.942 bonds (distance) P-C4' energy: -86.520 flat angles C4'-P-C4' energy: -105.598 flat angles P-C4'-P energy: -66.291 tors. eta vs tors. theta energy: -124.355 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: 5, replica: 7 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1411.006197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.006197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.006197 (E_RNA) where: Base-Base interactions energy: -962.838 where: short stacking energy: -407.041 Base-Backbone interact. energy: -2.005 local terms energy: -446.163663 where: bonds (distance) C4'-P energy: -75.889 bonds (distance) P-C4' energy: -77.359 flat angles C4'-P-C4' energy: -105.880 flat angles P-C4'-P energy: -70.406 tors. eta vs tors. theta energy: -116.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1278.811992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.811992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.811992 (E_RNA) where: Base-Base interactions energy: -857.051 where: short stacking energy: -358.298 Base-Backbone interact. energy: 1.881 local terms energy: -423.641646 where: bonds (distance) C4'-P energy: -83.617 bonds (distance) P-C4' energy: -102.883 flat angles C4'-P-C4' energy: -84.990 flat angles P-C4'-P energy: -57.718 tors. eta vs tors. theta energy: -94.435 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: 9 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1042.248914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.248914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.248914 (E_RNA) where: Base-Base interactions energy: -653.968 where: short stacking energy: -275.110 Base-Backbone interact. energy: 0.691 local terms energy: -388.971430 where: bonds (distance) C4'-P energy: -77.773 bonds (distance) P-C4' energy: -77.646 flat angles C4'-P-C4' energy: -90.485 flat angles P-C4'-P energy: -73.009 tors. eta vs tors. theta energy: -70.059 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: 8, replica: 5 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -869.739707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.739707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.739707 (E_RNA) where: Base-Base interactions energy: -510.677 where: short stacking energy: -242.635 Base-Backbone interact. energy: -1.669 local terms energy: -357.393942 where: bonds (distance) C4'-P energy: -79.155 bonds (distance) P-C4' energy: -89.475 flat angles C4'-P-C4' energy: -79.741 flat angles P-C4'-P energy: -56.502 tors. eta vs tors. theta energy: -52.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -792.478117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.478117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.478117 (E_RNA) where: Base-Base interactions energy: -503.782 where: short stacking energy: -232.532 Base-Backbone interact. energy: -2.577 local terms energy: -286.119845 where: bonds (distance) C4'-P energy: -77.362 bonds (distance) P-C4' energy: -61.337 flat angles C4'-P-C4' energy: -82.383 flat angles P-C4'-P energy: -37.346 tors. eta vs tors. theta energy: -27.692 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: 8 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -406.085443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.085443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.085443 (E_RNA) where: Base-Base interactions energy: -125.973 where: short stacking energy: -100.708 Base-Backbone interact. energy: 1.267 local terms energy: -281.378784 where: bonds (distance) C4'-P energy: -70.608 bonds (distance) P-C4' energy: -92.238 flat angles C4'-P-C4' energy: -85.372 flat angles P-C4'-P energy: -37.124 tors. eta vs tors. theta energy: 3.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1762.463833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.463833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.463833 (E_RNA) where: Base-Base interactions energy: -1225.668 where: short stacking energy: -484.688 Base-Backbone interact. energy: -0.334 local terms energy: -536.461593 where: bonds (distance) C4'-P energy: -93.918 bonds (distance) P-C4' energy: -103.885 flat angles C4'-P-C4' energy: -118.505 flat angles P-C4'-P energy: -81.455 tors. eta vs tors. theta energy: -138.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1695.770653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.770653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.770653 (E_RNA) where: Base-Base interactions energy: -1199.113 where: short stacking energy: -481.419 Base-Backbone interact. energy: -1.743 local terms energy: -494.915008 where: bonds (distance) C4'-P energy: -87.122 bonds (distance) P-C4' energy: -93.654 flat angles C4'-P-C4' energy: -103.464 flat angles P-C4'-P energy: -57.193 tors. eta vs tors. theta energy: -153.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1571.575712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.575712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.575712 (E_RNA) where: Base-Base interactions energy: -1109.597 where: short stacking energy: -433.824 Base-Backbone interact. energy: -3.957 local terms energy: -458.021717 where: bonds (distance) C4'-P energy: -86.401 bonds (distance) P-C4' energy: -80.248 flat angles C4'-P-C4' energy: -106.758 flat angles P-C4'-P energy: -63.361 tors. eta vs tors. theta energy: -121.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1588.945730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.945730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.945730 (E_RNA) where: Base-Base interactions energy: -1109.882 where: short stacking energy: -458.925 Base-Backbone interact. energy: -1.576 local terms energy: -477.487765 where: bonds (distance) C4'-P energy: -79.386 bonds (distance) P-C4' energy: -96.812 flat angles C4'-P-C4' energy: -92.993 flat angles P-C4'-P energy: -67.429 tors. eta vs tors. theta energy: -140.868 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: 78 Temperature: 1.100000 Total energy: -1391.183925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.183925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.183925 (E_RNA) where: Base-Base interactions energy: -921.090 where: short stacking energy: -379.330 Base-Backbone interact. energy: -2.274 local terms energy: -467.820485 where: bonds (distance) C4'-P energy: -87.910 bonds (distance) P-C4' energy: -96.940 flat angles C4'-P-C4' energy: -96.064 flat angles P-C4'-P energy: -70.417 tors. eta vs tors. theta energy: -116.488 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: 2 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1269.225059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.225059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.225059 (E_RNA) where: Base-Base interactions energy: -859.260 where: short stacking energy: -358.961 Base-Backbone interact. energy: 2.994 local terms energy: -412.958757 where: bonds (distance) C4'-P energy: -86.547 bonds (distance) P-C4' energy: -81.680 flat angles C4'-P-C4' energy: -91.028 flat angles P-C4'-P energy: -54.523 tors. eta vs tors. theta energy: -99.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1055.576936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.576936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.576936 (E_RNA) where: Base-Base interactions energy: -698.927 where: short stacking energy: -301.139 Base-Backbone interact. energy: -1.762 local terms energy: -354.887101 where: bonds (distance) C4'-P energy: -75.611 bonds (distance) P-C4' energy: -81.111 flat angles C4'-P-C4' energy: -83.771 flat angles P-C4'-P energy: -47.682 tors. eta vs tors. theta energy: -66.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -869.255301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.255301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.255301 (E_RNA) where: Base-Base interactions energy: -554.874 where: short stacking energy: -254.273 Base-Backbone interact. energy: 4.044 local terms energy: -318.425260 where: bonds (distance) C4'-P energy: -72.088 bonds (distance) P-C4' energy: -80.740 flat angles C4'-P-C4' energy: -78.945 flat angles P-C4'-P energy: -51.079 tors. eta vs tors. theta energy: -35.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -823.092601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.092601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.092601 (E_RNA) where: Base-Base interactions energy: -492.099 where: short stacking energy: -220.077 Base-Backbone interact. energy: 2.207 local terms energy: -333.200469 where: bonds (distance) C4'-P energy: -77.269 bonds (distance) P-C4' energy: -74.144 flat angles C4'-P-C4' energy: -78.957 flat angles P-C4'-P energy: -53.874 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: 10, replica: 8 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -362.390273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.390273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.390273 (E_RNA) where: Base-Base interactions energy: -95.254 where: short stacking energy: -72.146 Base-Backbone interact. energy: 0.914 local terms energy: -268.051082 where: bonds (distance) C4'-P energy: -65.097 bonds (distance) P-C4' energy: -91.752 flat angles C4'-P-C4' energy: -86.573 flat angles P-C4'-P energy: -52.813 tors. eta vs tors. theta energy: 28.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1753.797474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.797474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.797474 (E_RNA) where: Base-Base interactions energy: -1252.138 where: short stacking energy: -465.037 Base-Backbone interact. energy: -1.708 local terms energy: -499.951391 where: bonds (distance) C4'-P energy: -89.880 bonds (distance) P-C4' energy: -91.768 flat angles C4'-P-C4' energy: -105.372 flat angles P-C4'-P energy: -74.469 tors. eta vs tors. theta energy: -138.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1724.491434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.491434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.491434 (E_RNA) where: Base-Base interactions energy: -1214.402 where: short stacking energy: -465.385 Base-Backbone interact. energy: -2.602 local terms energy: -507.487752 where: bonds (distance) C4'-P energy: -94.643 bonds (distance) P-C4' energy: -89.204 flat angles C4'-P-C4' energy: -109.837 flat angles P-C4'-P energy: -80.722 tors. eta vs tors. theta energy: -133.082 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: 4 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1559.952296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.952296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.952296 (E_RNA) where: Base-Base interactions energy: -1086.042 where: short stacking energy: -444.142 Base-Backbone interact. energy: -0.575 local terms energy: -473.335145 where: bonds (distance) C4'-P energy: -87.954 bonds (distance) P-C4' energy: -97.779 flat angles C4'-P-C4' energy: -102.622 flat angles P-C4'-P energy: -59.657 tors. eta vs tors. theta energy: -125.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1562.141476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.141476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.141476 (E_RNA) where: Base-Base interactions energy: -1077.797 where: short stacking energy: -451.007 Base-Backbone interact. energy: -0.474 local terms energy: -483.869969 where: bonds (distance) C4'-P energy: -81.478 bonds (distance) P-C4' energy: -90.938 flat angles C4'-P-C4' energy: -111.080 flat angles P-C4'-P energy: -68.893 tors. eta vs tors. theta energy: -131.481 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: 79 Temperature: 1.100000 Total energy: -1409.340267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.340267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.340267 (E_RNA) where: Base-Base interactions energy: -965.031 where: short stacking energy: -393.127 Base-Backbone interact. energy: -0.678 local terms energy: -443.631228 where: bonds (distance) C4'-P energy: -83.415 bonds (distance) P-C4' energy: -85.934 flat angles C4'-P-C4' energy: -101.551 flat angles P-C4'-P energy: -70.008 tors. eta vs tors. theta energy: -102.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1269.740653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.740653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.740653 (E_RNA) where: Base-Base interactions energy: -840.191 where: short stacking energy: -357.785 Base-Backbone interact. energy: -1.278 local terms energy: -428.272298 where: bonds (distance) C4'-P energy: -75.687 bonds (distance) P-C4' energy: -89.556 flat angles C4'-P-C4' energy: -103.166 flat angles P-C4'-P energy: -62.735 tors. eta vs tors. theta energy: -97.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1016.241654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.241654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.241654 (E_RNA) where: Base-Base interactions energy: -639.502 where: short stacking energy: -263.801 Base-Backbone interact. energy: 1.219 local terms energy: -377.958572 where: bonds (distance) C4'-P energy: -77.412 bonds (distance) P-C4' energy: -78.082 flat angles C4'-P-C4' energy: -93.999 flat angles P-C4'-P energy: -63.442 tors. eta vs tors. theta energy: -65.024 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: 8, replica: 10 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -916.305871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.305871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.305871 (E_RNA) where: Base-Base interactions energy: -545.585 where: short stacking energy: -263.178 Base-Backbone interact. energy: 0.275 local terms energy: -370.995491 where: bonds (distance) C4'-P energy: -93.118 bonds (distance) P-C4' energy: -86.478 flat angles C4'-P-C4' energy: -80.686 flat angles P-C4'-P energy: -55.552 tors. eta vs tors. theta energy: -55.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -844.620569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.620569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.620569 (E_RNA) where: Base-Base interactions energy: -505.174 where: short stacking energy: -230.138 Base-Backbone interact. energy: 2.878 local terms energy: -342.324384 where: bonds (distance) C4'-P energy: -91.338 bonds (distance) P-C4' energy: -81.574 flat angles C4'-P-C4' energy: -77.103 flat angles P-C4'-P energy: -50.395 tors. eta vs tors. theta energy: -41.914 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: 79 Temperature: 1.350000 Total energy: -364.823749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.823749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.823749 (E_RNA) where: Base-Base interactions energy: -125.720 where: short stacking energy: -104.870 Base-Backbone interact. energy: -0.309 local terms energy: -238.794683 where: bonds (distance) C4'-P energy: -57.986 bonds (distance) P-C4' energy: -89.800 flat angles C4'-P-C4' energy: -59.124 flat angles P-C4'-P energy: -41.262 tors. eta vs tors. theta energy: 9.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1786.116351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.116351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.116351 (E_RNA) where: Base-Base interactions energy: -1256.646 where: short stacking energy: -492.138 Base-Backbone interact. energy: -2.214 local terms energy: -527.256113 where: bonds (distance) C4'-P energy: -94.521 bonds (distance) P-C4' energy: -90.213 flat angles C4'-P-C4' energy: -112.458 flat angles P-C4'-P energy: -85.405 tors. eta vs tors. theta energy: -144.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1695.816452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.816452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.816452 (E_RNA) where: Base-Base interactions energy: -1182.629 where: short stacking energy: -473.567 Base-Backbone interact. energy: -1.403 local terms energy: -511.784108 where: bonds (distance) C4'-P energy: -84.179 bonds (distance) P-C4' energy: -100.178 flat angles C4'-P-C4' energy: -109.303 flat angles P-C4'-P energy: -77.480 tors. eta vs tors. theta energy: -140.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1586.812538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.812538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.812538 (E_RNA) where: Base-Base interactions energy: -1103.657 where: short stacking energy: -443.229 Base-Backbone interact. energy: 0.462 local terms energy: -483.617809 where: bonds (distance) C4'-P energy: -88.097 bonds (distance) P-C4' energy: -96.833 flat angles C4'-P-C4' energy: -99.446 flat angles P-C4'-P energy: -73.742 tors. eta vs tors. theta energy: -125.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1550.072381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.072381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.072381 (E_RNA) where: Base-Base interactions energy: -1071.102 where: short stacking energy: -434.019 Base-Backbone interact. energy: -1.272 local terms energy: -477.698008 where: bonds (distance) C4'-P energy: -101.249 bonds (distance) P-C4' energy: -100.956 flat angles C4'-P-C4' energy: -102.810 flat angles P-C4'-P energy: -55.374 tors. eta vs tors. theta energy: -117.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1421.397213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.397213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.397213 (E_RNA) where: Base-Base interactions energy: -967.202 where: short stacking energy: -409.547 Base-Backbone interact. energy: -1.047 local terms energy: -453.147916 where: bonds (distance) C4'-P energy: -84.851 bonds (distance) P-C4' energy: -85.604 flat angles C4'-P-C4' energy: -97.283 flat angles P-C4'-P energy: -68.428 tors. eta vs tors. theta energy: -116.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1275.408323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.408323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.408323 (E_RNA) where: Base-Base interactions energy: -856.922 where: short stacking energy: -358.411 Base-Backbone interact. energy: -1.728 local terms energy: -416.758123 where: bonds (distance) C4'-P energy: -74.757 bonds (distance) P-C4' energy: -88.622 flat angles C4'-P-C4' energy: -104.836 flat angles P-C4'-P energy: -60.437 tors. eta vs tors. theta energy: -88.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1041.775252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.775252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.775252 (E_RNA) where: Base-Base interactions energy: -647.295 where: short stacking energy: -283.422 Base-Backbone interact. energy: 0.122 local terms energy: -394.601563 where: bonds (distance) C4'-P energy: -86.321 bonds (distance) P-C4' energy: -88.122 flat angles C4'-P-C4' energy: -92.728 flat angles P-C4'-P energy: -58.040 tors. eta vs tors. theta energy: -69.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -891.255931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.255931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.255931 (E_RNA) where: Base-Base interactions energy: -544.774 where: short stacking energy: -244.985 Base-Backbone interact. energy: 0.924 local terms energy: -347.405012 where: bonds (distance) C4'-P energy: -80.114 bonds (distance) P-C4' energy: -82.635 flat angles C4'-P-C4' energy: -85.443 flat angles P-C4'-P energy: -50.947 tors. eta vs tors. theta energy: -48.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -858.801942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.801942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.801942 (E_RNA) where: Base-Base interactions energy: -515.411 where: short stacking energy: -226.541 Base-Backbone interact. energy: -0.289 local terms energy: -343.101656 where: bonds (distance) C4'-P energy: -82.225 bonds (distance) P-C4' energy: -87.915 flat angles C4'-P-C4' energy: -76.423 flat angles P-C4'-P energy: -51.313 tors. eta vs tors. theta energy: -45.225 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: 10, replica: 8 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -339.367804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.367804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.367804 (E_RNA) where: Base-Base interactions energy: -114.969 where: short stacking energy: -69.952 Base-Backbone interact. energy: 2.372 local terms energy: -226.770944 where: bonds (distance) C4'-P energy: -77.950 bonds (distance) P-C4' energy: -76.104 flat angles C4'-P-C4' energy: -57.680 flat angles P-C4'-P energy: -49.288 tors. eta vs tors. theta energy: 34.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1759.028438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.028438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.028438 (E_RNA) where: Base-Base interactions energy: -1254.526 where: short stacking energy: -472.955 Base-Backbone interact. energy: -2.478 local terms energy: -502.024441 where: bonds (distance) C4'-P energy: -94.931 bonds (distance) P-C4' energy: -101.362 flat angles C4'-P-C4' energy: -97.989 flat angles P-C4'-P energy: -70.772 tors. eta vs tors. theta energy: -136.970 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: 6 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1689.094369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.094369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.094369 (E_RNA) where: Base-Base interactions energy: -1189.910 where: short stacking energy: -450.286 Base-Backbone interact. energy: -1.984 local terms energy: -497.200757 where: bonds (distance) C4'-P energy: -85.085 bonds (distance) P-C4' energy: -96.936 flat angles C4'-P-C4' energy: -101.192 flat angles P-C4'-P energy: -77.038 tors. eta vs tors. theta energy: -136.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1589.165991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.165991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.165991 (E_RNA) where: Base-Base interactions energy: -1083.540 where: short stacking energy: -434.783 Base-Backbone interact. energy: -2.424 local terms energy: -503.202411 where: bonds (distance) C4'-P energy: -101.852 bonds (distance) P-C4' energy: -95.137 flat angles C4'-P-C4' energy: -111.945 flat angles P-C4'-P energy: -74.128 tors. eta vs tors. theta energy: -120.140 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: 81 Temperature: 1.050000 Total energy: -1543.276936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.276936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.276936 (E_RNA) where: Base-Base interactions energy: -1058.757 where: short stacking energy: -460.202 Base-Backbone interact. energy: -0.560 local terms energy: -483.959473 where: bonds (distance) C4'-P energy: -93.152 bonds (distance) P-C4' energy: -77.851 flat angles C4'-P-C4' energy: -103.131 flat angles P-C4'-P energy: -69.797 tors. eta vs tors. theta energy: -140.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1413.930000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.930000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.930000 (E_RNA) where: Base-Base interactions energy: -978.919 where: short stacking energy: -381.186 Base-Backbone interact. energy: -1.116 local terms energy: -433.895350 where: bonds (distance) C4'-P energy: -82.334 bonds (distance) P-C4' energy: -93.791 flat angles C4'-P-C4' energy: -97.734 flat angles P-C4'-P energy: -62.587 tors. eta vs tors. theta energy: -97.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1286.389478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.389478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.389478 (E_RNA) where: Base-Base interactions energy: -856.417 where: short stacking energy: -360.598 Base-Backbone interact. energy: -0.510 local terms energy: -429.461564 where: bonds (distance) C4'-P energy: -80.629 bonds (distance) P-C4' energy: -82.220 flat angles C4'-P-C4' energy: -99.125 flat angles P-C4'-P energy: -67.449 tors. eta vs tors. theta energy: -100.038 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: 9 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1140.587106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.587106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.587106 (E_RNA) where: Base-Base interactions energy: -727.000 where: short stacking energy: -341.532 Base-Backbone interact. energy: 0.640 local terms energy: -414.227105 where: bonds (distance) C4'-P energy: -70.900 bonds (distance) P-C4' energy: -90.575 flat angles C4'-P-C4' energy: -92.806 flat angles P-C4'-P energy: -69.224 tors. eta vs tors. theta energy: -90.722 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: 10 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -855.676941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.676941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.676941 (E_RNA) where: Base-Base interactions energy: -519.697 where: short stacking energy: -238.244 Base-Backbone interact. energy: -1.132 local terms energy: -334.847870 where: bonds (distance) C4'-P energy: -77.288 bonds (distance) P-C4' energy: -77.299 flat angles C4'-P-C4' energy: -85.549 flat angles P-C4'-P energy: -51.715 tors. eta vs tors. theta energy: -42.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -827.801974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.801974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.801974 (E_RNA) where: Base-Base interactions energy: -489.005 where: short stacking energy: -220.425 Base-Backbone interact. energy: -0.125 local terms energy: -338.672244 where: bonds (distance) C4'-P energy: -87.076 bonds (distance) P-C4' energy: -74.647 flat angles C4'-P-C4' energy: -81.666 flat angles P-C4'-P energy: -53.554 tors. eta vs tors. theta energy: -41.729 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: 81 Temperature: 1.350000 Total energy: -361.247653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.247653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.247653 (E_RNA) where: Base-Base interactions energy: -109.659 where: short stacking energy: -60.543 Base-Backbone interact. energy: -3.017 local terms energy: -248.571652 where: bonds (distance) C4'-P energy: -78.357 bonds (distance) P-C4' energy: -84.188 flat angles C4'-P-C4' energy: -73.110 flat angles P-C4'-P energy: -47.240 tors. eta vs tors. theta energy: 34.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1767.261416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.261416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.261416 (E_RNA) where: Base-Base interactions energy: -1237.228 where: short stacking energy: -484.423 Base-Backbone interact. energy: -1.158 local terms energy: -528.875434 where: bonds (distance) C4'-P energy: -93.988 bonds (distance) P-C4' energy: -103.192 flat angles C4'-P-C4' energy: -111.704 flat angles P-C4'-P energy: -77.307 tors. eta vs tors. theta energy: -142.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1691.522334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.522334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.522334 (E_RNA) where: Base-Base interactions energy: -1209.449 where: short stacking energy: -479.979 Base-Backbone interact. energy: -1.304 local terms energy: -480.770131 where: bonds (distance) C4'-P energy: -84.914 bonds (distance) P-C4' energy: -79.946 flat angles C4'-P-C4' energy: -106.936 flat angles P-C4'-P energy: -71.153 tors. eta vs tors. theta energy: -137.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1590.792850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.792850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.792850 (E_RNA) where: Base-Base interactions energy: -1102.461 where: short stacking energy: -452.736 Base-Backbone interact. energy: -0.408 local terms energy: -487.924598 where: bonds (distance) C4'-P energy: -90.161 bonds (distance) P-C4' energy: -92.818 flat angles C4'-P-C4' energy: -99.390 flat angles P-C4'-P energy: -74.845 tors. eta vs tors. theta energy: -130.711 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: 82 Temperature: 1.050000 Total energy: -1561.741927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.741927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.741927 (E_RNA) where: Base-Base interactions energy: -1084.155 where: short stacking energy: -449.192 Base-Backbone interact. energy: -1.308 local terms energy: -476.278798 where: bonds (distance) C4'-P energy: -89.744 bonds (distance) P-C4' energy: -77.006 flat angles C4'-P-C4' energy: -98.237 flat angles P-C4'-P energy: -76.721 tors. eta vs tors. theta energy: -134.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1434.548252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.548252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.548252 (E_RNA) where: Base-Base interactions energy: -989.057 where: short stacking energy: -386.577 Base-Backbone interact. energy: -2.431 local terms energy: -443.059553 where: bonds (distance) C4'-P energy: -81.368 bonds (distance) P-C4' energy: -103.579 flat angles C4'-P-C4' energy: -90.405 flat angles P-C4'-P energy: -59.882 tors. eta vs tors. theta energy: -107.826 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: 2 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1359.846534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.846534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.846534 (E_RNA) where: Base-Base interactions energy: -938.995 where: short stacking energy: -410.865 Base-Backbone interact. energy: -2.226 local terms energy: -418.625969 where: bonds (distance) C4'-P energy: -75.887 bonds (distance) P-C4' energy: -65.213 flat angles C4'-P-C4' energy: -97.439 flat angles P-C4'-P energy: -60.728 tors. eta vs tors. theta energy: -119.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1048.870371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.870371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.870371 (E_RNA) where: Base-Base interactions energy: -691.890 where: short stacking energy: -319.294 Base-Backbone interact. energy: -0.591 local terms energy: -356.389885 where: bonds (distance) C4'-P energy: -72.895 bonds (distance) P-C4' energy: -73.057 flat angles C4'-P-C4' energy: -84.894 flat angles P-C4'-P energy: -58.670 tors. eta vs tors. theta energy: -66.873 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: 10 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -867.667978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.667978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.667978 (E_RNA) where: Base-Base interactions energy: -557.316 where: short stacking energy: -262.845 Base-Backbone interact. energy: 1.347 local terms energy: -311.699712 where: bonds (distance) C4'-P energy: -75.085 bonds (distance) P-C4' energy: -77.424 flat angles C4'-P-C4' energy: -68.732 flat angles P-C4'-P energy: -40.009 tors. eta vs tors. theta energy: -50.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -901.726457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.726457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.726457 (E_RNA) where: Base-Base interactions energy: -551.855 where: short stacking energy: -254.334 Base-Backbone interact. energy: -0.786 local terms energy: -349.085884 where: bonds (distance) C4'-P energy: -81.047 bonds (distance) P-C4' energy: -76.964 flat angles C4'-P-C4' energy: -97.155 flat angles P-C4'-P energy: -43.983 tors. eta vs tors. theta energy: -49.936 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: 82 Temperature: 1.350000 Total energy: -373.416435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.416435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.416435 (E_RNA) where: Base-Base interactions energy: -121.886 where: short stacking energy: -96.836 Base-Backbone interact. energy: -0.060 local terms energy: -251.470105 where: bonds (distance) C4'-P energy: -63.370 bonds (distance) P-C4' energy: -84.225 flat angles C4'-P-C4' energy: -76.854 flat angles P-C4'-P energy: -51.007 tors. eta vs tors. theta energy: 23.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -1759.672187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.672187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.672187 (E_RNA) where: Base-Base interactions energy: -1230.995 where: short stacking energy: -496.774 Base-Backbone interact. energy: -1.503 local terms energy: -527.174019 where: bonds (distance) C4'-P energy: -85.160 bonds (distance) P-C4' energy: -94.534 flat angles C4'-P-C4' energy: -115.023 flat angles P-C4'-P energy: -79.219 tors. eta vs tors. theta energy: -153.238 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: 6 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1695.620963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.620963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.620963 (E_RNA) where: Base-Base interactions energy: -1181.905 where: short stacking energy: -468.250 Base-Backbone interact. energy: 0.872 local terms energy: -514.588534 where: bonds (distance) C4'-P energy: -101.488 bonds (distance) P-C4' energy: -94.450 flat angles C4'-P-C4' energy: -108.078 flat angles P-C4'-P energy: -64.394 tors. eta vs tors. theta energy: -146.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1595.874854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.874854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.874854 (E_RNA) where: Base-Base interactions energy: -1101.280 where: short stacking energy: -448.699 Base-Backbone interact. energy: 3.370 local terms energy: -497.964710 where: bonds (distance) C4'-P energy: -93.883 bonds (distance) P-C4' energy: -97.735 flat angles C4'-P-C4' energy: -106.191 flat angles P-C4'-P energy: -68.507 tors. eta vs tors. theta energy: -131.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1585.080024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.080024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.080024 (E_RNA) where: Base-Base interactions energy: -1096.009 where: short stacking energy: -452.216 Base-Backbone interact. energy: -0.885 local terms energy: -488.186044 where: bonds (distance) C4'-P energy: -84.623 bonds (distance) P-C4' energy: -95.828 flat angles C4'-P-C4' energy: -98.178 flat angles P-C4'-P energy: -69.988 tors. eta vs tors. theta energy: -139.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1418.832677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.832677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.832677 (E_RNA) where: Base-Base interactions energy: -966.203 where: short stacking energy: -403.995 Base-Backbone interact. energy: -0.575 local terms energy: -452.054126 where: bonds (distance) C4'-P energy: -87.067 bonds (distance) P-C4' energy: -83.704 flat angles C4'-P-C4' energy: -101.182 flat angles P-C4'-P energy: -70.978 tors. eta vs tors. theta energy: -109.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1272.857153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.857153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.857153 (E_RNA) where: Base-Base interactions energy: -860.694 where: short stacking energy: -384.082 Base-Backbone interact. energy: -1.748 local terms energy: -410.415748 where: bonds (distance) C4'-P energy: -73.530 bonds (distance) P-C4' energy: -75.516 flat angles C4'-P-C4' energy: -89.699 flat angles P-C4'-P energy: -60.007 tors. eta vs tors. theta energy: -111.664 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: 7, replica: 9 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1061.800625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.800625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.800625 (E_RNA) where: Base-Base interactions energy: -666.751 where: short stacking energy: -292.240 Base-Backbone interact. energy: 0.698 local terms energy: -395.747458 where: bonds (distance) C4'-P energy: -95.490 bonds (distance) P-C4' energy: -90.885 flat angles C4'-P-C4' energy: -90.847 flat angles P-C4'-P energy: -62.315 tors. eta vs tors. theta energy: -56.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -955.403160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.403160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.403160 (E_RNA) where: Base-Base interactions energy: -609.627 where: short stacking energy: -264.432 Base-Backbone interact. energy: -2.379 local terms energy: -343.396674 where: bonds (distance) C4'-P energy: -91.707 bonds (distance) P-C4' energy: -88.533 flat angles C4'-P-C4' energy: -76.255 flat angles P-C4'-P energy: -43.742 tors. eta vs tors. theta energy: -43.161 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: 10 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -840.164014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.164014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.164014 (E_RNA) where: Base-Base interactions energy: -521.881 where: short stacking energy: -236.733 Base-Backbone interact. energy: 8.426 local terms energy: -326.709262 where: bonds (distance) C4'-P energy: -83.738 bonds (distance) P-C4' energy: -61.119 flat angles C4'-P-C4' energy: -84.457 flat angles P-C4'-P energy: -55.070 tors. eta vs tors. theta energy: -42.326 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: 83 Temperature: 1.350000 Total energy: -357.109253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.109253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.109253 (E_RNA) where: Base-Base interactions energy: -141.854 where: short stacking energy: -122.562 Base-Backbone interact. energy: -1.751 local terms energy: -213.504212 where: bonds (distance) C4'-P energy: -50.763 bonds (distance) P-C4' energy: -68.949 flat angles C4'-P-C4' energy: -72.237 flat angles P-C4'-P energy: -46.831 tors. eta vs tors. theta energy: 25.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1777.664524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.664524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.664524 (E_RNA) where: Base-Base interactions energy: -1241.122 where: short stacking energy: -487.799 Base-Backbone interact. energy: -1.215 local terms energy: -535.327366 where: bonds (distance) C4'-P energy: -102.978 bonds (distance) P-C4' energy: -101.752 flat angles C4'-P-C4' energy: -112.184 flat angles P-C4'-P energy: -73.782 tors. eta vs tors. theta energy: -144.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1711.177155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.177155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.177155 (E_RNA) where: Base-Base interactions energy: -1192.405 where: short stacking energy: -472.958 Base-Backbone interact. energy: -1.988 local terms energy: -516.783730 where: bonds (distance) C4'-P energy: -91.064 bonds (distance) P-C4' energy: -102.811 flat angles C4'-P-C4' energy: -106.757 flat angles P-C4'-P energy: -74.833 tors. eta vs tors. theta energy: -141.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1600.178880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.178880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.178880 (E_RNA) where: Base-Base interactions energy: -1105.221 where: short stacking energy: -443.616 Base-Backbone interact. energy: 4.812 local terms energy: -499.770141 where: bonds (distance) C4'-P energy: -85.002 bonds (distance) P-C4' energy: -98.755 flat angles C4'-P-C4' energy: -109.795 flat angles P-C4'-P energy: -75.929 tors. eta vs tors. theta energy: -130.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1553.456582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.456582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.456582 (E_RNA) where: Base-Base interactions energy: -1083.889 where: short stacking energy: -441.159 Base-Backbone interact. energy: 1.969 local terms energy: -471.536488 where: bonds (distance) C4'-P energy: -85.242 bonds (distance) P-C4' energy: -93.584 flat angles C4'-P-C4' energy: -93.959 flat angles P-C4'-P energy: -66.638 tors. eta vs tors. theta energy: -132.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1402.224646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.224646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.224646 (E_RNA) where: Base-Base interactions energy: -952.977 where: short stacking energy: -376.534 Base-Backbone interact. energy: -4.900 local terms energy: -444.348286 where: bonds (distance) C4'-P energy: -75.615 bonds (distance) P-C4' energy: -84.965 flat angles C4'-P-C4' energy: -108.785 flat angles P-C4'-P energy: -68.463 tors. eta vs tors. theta energy: -106.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1259.821574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.821574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.821574 (E_RNA) where: Base-Base interactions energy: -841.274 where: short stacking energy: -344.008 Base-Backbone interact. energy: -2.301 local terms energy: -416.247308 where: bonds (distance) C4'-P energy: -78.957 bonds (distance) P-C4' energy: -90.985 flat angles C4'-P-C4' energy: -94.297 flat angles P-C4'-P energy: -54.711 tors. eta vs tors. theta energy: -97.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1088.573457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.573457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.573457 (E_RNA) where: Base-Base interactions energy: -693.216 where: short stacking energy: -314.606 Base-Backbone interact. energy: 1.577 local terms energy: -396.933850 where: bonds (distance) C4'-P energy: -75.279 bonds (distance) P-C4' energy: -89.514 flat angles C4'-P-C4' energy: -97.341 flat angles P-C4'-P energy: -59.992 tors. eta vs tors. theta energy: -74.809 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: 5 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -917.731556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.731556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.731556 (E_RNA) where: Base-Base interactions energy: -588.142 where: short stacking energy: -276.649 Base-Backbone interact. energy: 4.184 local terms energy: -333.773235 where: bonds (distance) C4'-P energy: -81.876 bonds (distance) P-C4' energy: -77.988 flat angles C4'-P-C4' energy: -84.027 flat angles P-C4'-P energy: -39.159 tors. eta vs tors. theta energy: -50.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -841.781799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.781799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.781799 (E_RNA) where: Base-Base interactions energy: -519.339 where: short stacking energy: -241.348 Base-Backbone interact. energy: 2.437 local terms energy: -324.879876 where: bonds (distance) C4'-P energy: -72.224 bonds (distance) P-C4' energy: -91.294 flat angles C4'-P-C4' energy: -87.036 flat angles P-C4'-P energy: -34.024 tors. eta vs tors. theta energy: -40.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -363.991463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.991463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.991463 (E_RNA) where: Base-Base interactions energy: -105.299 where: short stacking energy: -89.963 Base-Backbone interact. energy: 9.134 local terms energy: -267.826540 where: bonds (distance) C4'-P energy: -78.697 bonds (distance) P-C4' energy: -89.117 flat angles C4'-P-C4' energy: -81.979 flat angles P-C4'-P energy: -31.959 tors. eta vs tors. theta energy: 13.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1783.584365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.584365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.584365 (E_RNA) where: Base-Base interactions energy: -1257.335 where: short stacking energy: -495.875 Base-Backbone interact. energy: -2.056 local terms energy: -524.192531 where: bonds (distance) C4'-P energy: -98.748 bonds (distance) P-C4' energy: -96.491 flat angles C4'-P-C4' energy: -112.544 flat angles P-C4'-P energy: -77.914 tors. eta vs tors. theta energy: -138.497 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: 2, replica: 6 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1699.901256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.901256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.901256 (E_RNA) where: Base-Base interactions energy: -1181.710 where: short stacking energy: -473.890 Base-Backbone interact. energy: 1.174 local terms energy: -519.364907 where: bonds (distance) C4'-P energy: -89.261 bonds (distance) P-C4' energy: -108.185 flat angles C4'-P-C4' energy: -113.712 flat angles P-C4'-P energy: -59.105 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: 3, replica: 4 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1581.386874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.386874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.386874 (E_RNA) where: Base-Base interactions energy: -1101.746 where: short stacking energy: -430.123 Base-Backbone interact. energy: -2.285 local terms energy: -477.355985 where: bonds (distance) C4'-P energy: -88.171 bonds (distance) P-C4' energy: -94.680 flat angles C4'-P-C4' energy: -104.184 flat angles P-C4'-P energy: -63.810 tors. eta vs tors. theta energy: -126.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1589.153877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.153877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.153877 (E_RNA) where: Base-Base interactions energy: -1092.445 where: short stacking energy: -457.705 Base-Backbone interact. energy: -0.471 local terms energy: -496.237077 where: bonds (distance) C4'-P energy: -73.938 bonds (distance) P-C4' energy: -93.817 flat angles C4'-P-C4' energy: -104.347 flat angles P-C4'-P energy: -79.386 tors. eta vs tors. theta energy: -144.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1413.520244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.520244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.520244 (E_RNA) where: Base-Base interactions energy: -975.560 where: short stacking energy: -395.357 Base-Backbone interact. energy: -3.239 local terms energy: -434.720768 where: bonds (distance) C4'-P energy: -75.290 bonds (distance) P-C4' energy: -91.328 flat angles C4'-P-C4' energy: -94.892 flat angles P-C4'-P energy: -63.913 tors. eta vs tors. theta energy: -109.297 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: 2 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1271.135870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.135870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.135870 (E_RNA) where: Base-Base interactions energy: -856.669 where: short stacking energy: -368.481 Base-Backbone interact. energy: -0.769 local terms energy: -413.697185 where: bonds (distance) C4'-P energy: -77.057 bonds (distance) P-C4' energy: -98.657 flat angles C4'-P-C4' energy: -94.173 flat angles P-C4'-P energy: -46.105 tors. eta vs tors. theta energy: -97.705 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: 7, replica: 9 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1095.052610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.052610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.052610 (E_RNA) where: Base-Base interactions energy: -727.527 where: short stacking energy: -346.943 Base-Backbone interact. energy: 2.518 local terms energy: -370.043971 where: bonds (distance) C4'-P energy: -75.239 bonds (distance) P-C4' energy: -77.098 flat angles C4'-P-C4' energy: -83.056 flat angles P-C4'-P energy: -58.677 tors. eta vs tors. theta energy: -75.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -871.078838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.078838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.078838 (E_RNA) where: Base-Base interactions energy: -544.588 where: short stacking energy: -250.632 Base-Backbone interact. energy: 1.031 local terms energy: -327.521897 where: bonds (distance) C4'-P energy: -75.672 bonds (distance) P-C4' energy: -78.510 flat angles C4'-P-C4' energy: -74.984 flat angles P-C4'-P energy: -51.377 tors. eta vs tors. theta energy: -46.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -857.607323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.607323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.607323 (E_RNA) where: Base-Base interactions energy: -493.614 where: short stacking energy: -217.389 Base-Backbone interact. energy: 8.283 local terms energy: -372.276155 where: bonds (distance) C4'-P energy: -88.085 bonds (distance) P-C4' energy: -94.626 flat angles C4'-P-C4' energy: -87.364 flat angles P-C4'-P energy: -64.230 tors. eta vs tors. theta energy: -37.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -358.869173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.869173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.869173 (E_RNA) where: Base-Base interactions energy: -134.036 where: short stacking energy: -107.083 Base-Backbone interact. energy: 2.434 local terms energy: -227.266680 where: bonds (distance) C4'-P energy: -65.008 bonds (distance) P-C4' energy: -89.781 flat angles C4'-P-C4' energy: -53.926 flat angles P-C4'-P energy: -36.006 tors. eta vs tors. theta energy: 17.455 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: 1 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1761.647274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.647274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.647274 (E_RNA) where: Base-Base interactions energy: -1247.072 where: short stacking energy: -476.955 Base-Backbone interact. energy: -3.211 local terms energy: -511.364113 where: bonds (distance) C4'-P energy: -86.823 bonds (distance) P-C4' energy: -94.311 flat angles C4'-P-C4' energy: -111.002 flat angles P-C4'-P energy: -74.686 tors. eta vs tors. theta energy: -144.542 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: 6 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1678.709837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.709837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.709837 (E_RNA) where: Base-Base interactions energy: -1169.204 where: short stacking energy: -479.924 Base-Backbone interact. energy: -1.553 local terms energy: -507.952910 where: bonds (distance) C4'-P energy: -96.548 bonds (distance) P-C4' energy: -86.851 flat angles C4'-P-C4' energy: -105.434 flat angles P-C4'-P energy: -67.616 tors. eta vs tors. theta energy: -151.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1613.984247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.984247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.984247 (E_RNA) where: Base-Base interactions energy: -1094.768 where: short stacking energy: -472.673 Base-Backbone interact. energy: -2.546 local terms energy: -516.670082 where: bonds (distance) C4'-P energy: -100.324 bonds (distance) P-C4' energy: -101.708 flat angles C4'-P-C4' energy: -104.787 flat angles P-C4'-P energy: -71.113 tors. eta vs tors. theta energy: -138.739 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: 4 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1543.345312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.345312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.345312 (E_RNA) where: Base-Base interactions energy: -1080.738 where: short stacking energy: -409.969 Base-Backbone interact. energy: 2.168 local terms energy: -464.775178 where: bonds (distance) C4'-P energy: -83.405 bonds (distance) P-C4' energy: -85.617 flat angles C4'-P-C4' energy: -106.096 flat angles P-C4'-P energy: -69.709 tors. eta vs tors. theta energy: -119.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1431.877107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.877107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.877107 (E_RNA) where: Base-Base interactions energy: -993.296 where: short stacking energy: -400.981 Base-Backbone interact. energy: -2.485 local terms energy: -436.096654 where: bonds (distance) C4'-P energy: -87.432 bonds (distance) P-C4' energy: -84.744 flat angles C4'-P-C4' energy: -96.994 flat angles P-C4'-P energy: -59.968 tors. eta vs tors. theta energy: -106.959 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: 2 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1288.895045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.895045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.895045 (E_RNA) where: Base-Base interactions energy: -870.175 where: short stacking energy: -350.263 Base-Backbone interact. energy: -0.376 local terms energy: -418.344335 where: bonds (distance) C4'-P energy: -87.128 bonds (distance) P-C4' energy: -84.373 flat angles C4'-P-C4' energy: -83.482 flat angles P-C4'-P energy: -62.432 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: 7, replica: 9 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1108.186612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.186612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.186612 (E_RNA) where: Base-Base interactions energy: -709.550 where: short stacking energy: -319.663 Base-Backbone interact. energy: 2.104 local terms energy: -400.740087 where: bonds (distance) C4'-P energy: -77.714 bonds (distance) P-C4' energy: -99.576 flat angles C4'-P-C4' energy: -90.603 flat angles P-C4'-P energy: -53.819 tors. eta vs tors. theta energy: -79.029 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: 86 Temperature: 1.250000 Total energy: -911.424050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.424050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.424050 (E_RNA) where: Base-Base interactions energy: -558.504 where: short stacking energy: -253.702 Base-Backbone interact. energy: -1.268 local terms energy: -351.652240 where: bonds (distance) C4'-P energy: -79.114 bonds (distance) P-C4' energy: -90.509 flat angles C4'-P-C4' energy: -83.747 flat angles P-C4'-P energy: -54.602 tors. eta vs tors. theta energy: -43.680 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: 5 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -831.196213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.196213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.196213 (E_RNA) where: Base-Base interactions energy: -535.019 where: short stacking energy: -233.091 Base-Backbone interact. energy: 2.874 local terms energy: -299.051644 where: bonds (distance) C4'-P energy: -75.615 bonds (distance) P-C4' energy: -79.751 flat angles C4'-P-C4' energy: -68.692 flat angles P-C4'-P energy: -41.479 tors. eta vs tors. theta energy: -33.514 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: 8 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -356.524006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.524006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.524006 (E_RNA) where: Base-Base interactions energy: -123.017 where: short stacking energy: -108.812 Base-Backbone interact. energy: -1.396 local terms energy: -232.111173 where: bonds (distance) C4'-P energy: -62.917 bonds (distance) P-C4' energy: -83.430 flat angles C4'-P-C4' energy: -57.100 flat angles P-C4'-P energy: -41.948 tors. eta vs tors. theta energy: 13.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1791.589902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.589902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.589902 (E_RNA) where: Base-Base interactions energy: -1254.092 where: short stacking energy: -501.387 Base-Backbone interact. energy: -3.675 local terms energy: -533.823075 where: bonds (distance) C4'-P energy: -99.320 bonds (distance) P-C4' energy: -97.315 flat angles C4'-P-C4' energy: -110.312 flat angles P-C4'-P energy: -80.231 tors. eta vs tors. theta energy: -146.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1706.063794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.063794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.063794 (E_RNA) where: Base-Base interactions energy: -1190.644 where: short stacking energy: -478.863 Base-Backbone interact. energy: -1.485 local terms energy: -513.935560 where: bonds (distance) C4'-P energy: -92.776 bonds (distance) P-C4' energy: -98.223 flat angles C4'-P-C4' energy: -103.410 flat angles P-C4'-P energy: -71.970 tors. eta vs tors. theta energy: -147.557 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: 3 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1615.145675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.145675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.145675 (E_RNA) where: Base-Base interactions energy: -1107.519 where: short stacking energy: -465.569 Base-Backbone interact. energy: 0.697 local terms energy: -508.323659 where: bonds (distance) C4'-P energy: -97.597 bonds (distance) P-C4' energy: -91.907 flat angles C4'-P-C4' energy: -103.917 flat angles P-C4'-P energy: -78.997 tors. eta vs tors. theta energy: -135.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1551.683049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.683049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.683049 (E_RNA) where: Base-Base interactions energy: -1089.502 where: short stacking energy: -427.666 Base-Backbone interact. energy: -1.462 local terms energy: -460.718910 where: bonds (distance) C4'-P energy: -95.534 bonds (distance) P-C4' energy: -77.569 flat angles C4'-P-C4' energy: -101.349 flat angles P-C4'-P energy: -65.063 tors. eta vs tors. theta energy: -121.203 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: 7 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1434.206941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.206941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.206941 (E_RNA) where: Base-Base interactions energy: -980.756 where: short stacking energy: -390.804 Base-Backbone interact. energy: -2.653 local terms energy: -450.798127 where: bonds (distance) C4'-P energy: -68.259 bonds (distance) P-C4' energy: -98.750 flat angles C4'-P-C4' energy: -98.294 flat angles P-C4'-P energy: -70.259 tors. eta vs tors. theta energy: -115.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1295.131646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.131646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.131646 (E_RNA) where: Base-Base interactions energy: -888.463 where: short stacking energy: -353.435 Base-Backbone interact. energy: -2.156 local terms energy: -404.512664 where: bonds (distance) C4'-P energy: -81.955 bonds (distance) P-C4' energy: -87.829 flat angles C4'-P-C4' energy: -92.370 flat angles P-C4'-P energy: -55.379 tors. eta vs tors. theta energy: -86.980 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: 9 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1083.094433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.094433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.094433 (E_RNA) where: Base-Base interactions energy: -707.237 where: short stacking energy: -308.630 Base-Backbone interact. energy: -0.250 local terms energy: -375.607604 where: bonds (distance) C4'-P energy: -73.837 bonds (distance) P-C4' energy: -85.738 flat angles C4'-P-C4' energy: -71.182 flat angles P-C4'-P energy: -65.725 tors. eta vs tors. theta energy: -79.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -863.975074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.975074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.975074 (E_RNA) where: Base-Base interactions energy: -528.225 where: short stacking energy: -237.947 Base-Backbone interact. energy: 1.577 local terms energy: -337.326984 where: bonds (distance) C4'-P energy: -82.531 bonds (distance) P-C4' energy: -73.384 flat angles C4'-P-C4' energy: -82.769 flat angles P-C4'-P energy: -61.668 tors. eta vs tors. theta energy: -36.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -790.460018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.460018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.460018 (E_RNA) where: Base-Base interactions energy: -478.288 where: short stacking energy: -213.981 Base-Backbone interact. energy: 1.893 local terms energy: -314.064634 where: bonds (distance) C4'-P energy: -57.206 bonds (distance) P-C4' energy: -92.284 flat angles C4'-P-C4' energy: -78.913 flat angles P-C4'-P energy: -45.117 tors. eta vs tors. theta energy: -40.545 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: 8 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -380.118954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.118954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.118954 (E_RNA) where: Base-Base interactions energy: -124.679 where: short stacking energy: -119.739 Base-Backbone interact. energy: -0.465 local terms energy: -254.974306 where: bonds (distance) C4'-P energy: -79.097 bonds (distance) P-C4' energy: -87.026 flat angles C4'-P-C4' energy: -63.135 flat angles P-C4'-P energy: -20.577 tors. eta vs tors. theta energy: -5.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1780.350172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.350172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.350172 (E_RNA) where: Base-Base interactions energy: -1242.126 where: short stacking energy: -468.486 Base-Backbone interact. energy: -0.537 local terms energy: -537.686928 where: bonds (distance) C4'-P energy: -100.926 bonds (distance) P-C4' energy: -101.039 flat angles C4'-P-C4' energy: -113.582 flat angles P-C4'-P energy: -77.378 tors. eta vs tors. theta energy: -144.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1685.216542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.216542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.216542 (E_RNA) where: Base-Base interactions energy: -1173.563 where: short stacking energy: -473.391 Base-Backbone interact. energy: -0.594 local terms energy: -511.059371 where: bonds (distance) C4'-P energy: -86.308 bonds (distance) P-C4' energy: -97.550 flat angles C4'-P-C4' energy: -111.919 flat angles P-C4'-P energy: -70.011 tors. eta vs tors. theta energy: -145.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1633.899519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.899519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.899519 (E_RNA) where: Base-Base interactions energy: -1124.399 where: short stacking energy: -477.312 Base-Backbone interact. energy: 1.258 local terms energy: -510.758497 where: bonds (distance) C4'-P energy: -98.140 bonds (distance) P-C4' energy: -95.742 flat angles C4'-P-C4' energy: -103.468 flat angles P-C4'-P energy: -70.883 tors. eta vs tors. theta energy: -142.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1578.477094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.477094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.477094 (E_RNA) where: Base-Base interactions energy: -1100.247 where: short stacking energy: -444.623 Base-Backbone interact. energy: -1.331 local terms energy: -476.898810 where: bonds (distance) C4'-P energy: -86.604 bonds (distance) P-C4' energy: -92.778 flat angles C4'-P-C4' energy: -104.376 flat angles P-C4'-P energy: -57.001 tors. eta vs tors. theta energy: -136.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1439.623383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.623383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.623383 (E_RNA) where: Base-Base interactions energy: -1008.663 where: short stacking energy: -413.010 Base-Backbone interact. energy: 1.141 local terms energy: -432.101020 where: bonds (distance) C4'-P energy: -69.545 bonds (distance) P-C4' energy: -91.080 flat angles C4'-P-C4' energy: -92.531 flat angles P-C4'-P energy: -61.405 tors. eta vs tors. theta energy: -117.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1289.228303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.228303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.228303 (E_RNA) where: Base-Base interactions energy: -848.111 where: short stacking energy: -368.006 Base-Backbone interact. energy: -0.280 local terms energy: -440.836969 where: bonds (distance) C4'-P energy: -93.112 bonds (distance) P-C4' energy: -86.879 flat angles C4'-P-C4' energy: -105.137 flat angles P-C4'-P energy: -58.505 tors. eta vs tors. theta energy: -97.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1133.534056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.534056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.534056 (E_RNA) where: Base-Base interactions energy: -752.124 where: short stacking energy: -346.043 Base-Backbone interact. energy: -1.305 local terms energy: -380.104939 where: bonds (distance) C4'-P energy: -90.939 bonds (distance) P-C4' energy: -80.725 flat angles C4'-P-C4' energy: -88.719 flat angles P-C4'-P energy: -43.548 tors. eta vs tors. theta energy: -76.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -861.253860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.253860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.253860 (E_RNA) where: Base-Base interactions energy: -498.431 where: short stacking energy: -239.711 Base-Backbone interact. energy: -2.780 local terms energy: -360.042907 where: bonds (distance) C4'-P energy: -89.475 bonds (distance) P-C4' energy: -80.404 flat angles C4'-P-C4' energy: -85.558 flat angles P-C4'-P energy: -53.189 tors. eta vs tors. theta energy: -51.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -816.311503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.311503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.311503 (E_RNA) where: Base-Base interactions energy: -498.336 where: short stacking energy: -221.099 Base-Backbone interact. energy: 6.087 local terms energy: -324.062359 where: bonds (distance) C4'-P energy: -76.083 bonds (distance) P-C4' energy: -73.685 flat angles C4'-P-C4' energy: -69.718 flat angles P-C4'-P energy: -61.001 tors. eta vs tors. theta energy: -43.575 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: 8 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -389.254795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.254795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.254795 (E_RNA) where: Base-Base interactions energy: -135.441 where: short stacking energy: -114.849 Base-Backbone interact. energy: 1.106 local terms energy: -254.920447 where: bonds (distance) C4'-P energy: -75.048 bonds (distance) P-C4' energy: -83.123 flat angles C4'-P-C4' energy: -59.946 flat angles P-C4'-P energy: -42.969 tors. eta vs tors. theta energy: 6.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1787.425452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.425452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.425452 (E_RNA) where: Base-Base interactions energy: -1240.689 where: short stacking energy: -486.297 Base-Backbone interact. energy: -3.857 local terms energy: -542.879267 where: bonds (distance) C4'-P energy: -100.217 bonds (distance) P-C4' energy: -106.237 flat angles C4'-P-C4' energy: -109.738 flat angles P-C4'-P energy: -78.205 tors. eta vs tors. theta energy: -148.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1685.545531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.545531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.545531 (E_RNA) where: Base-Base interactions energy: -1179.227 where: short stacking energy: -472.051 Base-Backbone interact. energy: -2.738 local terms energy: -503.581051 where: bonds (distance) C4'-P energy: -90.732 bonds (distance) P-C4' energy: -84.166 flat angles C4'-P-C4' energy: -98.973 flat angles P-C4'-P energy: -78.836 tors. eta vs tors. theta energy: -150.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -1615.988803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.988803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.988803 (E_RNA) where: Base-Base interactions energy: -1122.509 where: short stacking energy: -468.971 Base-Backbone interact. energy: -1.249 local terms energy: -492.230749 where: bonds (distance) C4'-P energy: -99.256 bonds (distance) P-C4' energy: -86.782 flat angles C4'-P-C4' energy: -101.198 flat angles P-C4'-P energy: -64.760 tors. eta vs tors. theta energy: -140.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1567.982746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.982746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.982746 (E_RNA) where: Base-Base interactions energy: -1097.494 where: short stacking energy: -450.120 Base-Backbone interact. energy: 6.997 local terms energy: -477.485823 where: bonds (distance) C4'-P energy: -90.206 bonds (distance) P-C4' energy: -83.729 flat angles C4'-P-C4' energy: -107.275 flat angles P-C4'-P energy: -66.273 tors. eta vs tors. theta energy: -130.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1450.854935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.854935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.854935 (E_RNA) where: Base-Base interactions energy: -992.833 where: short stacking energy: -409.134 Base-Backbone interact. energy: -2.054 local terms energy: -455.968842 where: bonds (distance) C4'-P energy: -82.922 bonds (distance) P-C4' energy: -83.159 flat angles C4'-P-C4' energy: -107.638 flat angles P-C4'-P energy: -63.021 tors. eta vs tors. theta energy: -119.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1359.318242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.318242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.318242 (E_RNA) where: Base-Base interactions energy: -915.754 where: short stacking energy: -386.788 Base-Backbone interact. energy: 0.419 local terms energy: -443.982874 where: bonds (distance) C4'-P energy: -88.955 bonds (distance) P-C4' energy: -85.390 flat angles C4'-P-C4' energy: -91.650 flat angles P-C4'-P energy: -63.339 tors. eta vs tors. theta energy: -114.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1118.343316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.343316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.343316 (E_RNA) where: Base-Base interactions energy: -741.465 where: short stacking energy: -334.564 Base-Backbone interact. energy: -2.010 local terms energy: -374.868505 where: bonds (distance) C4'-P energy: -63.528 bonds (distance) P-C4' energy: -83.475 flat angles C4'-P-C4' energy: -84.726 flat angles P-C4'-P energy: -64.647 tors. eta vs tors. theta energy: -78.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -848.209786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.209786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.209786 (E_RNA) where: Base-Base interactions energy: -488.260 where: short stacking energy: -232.211 Base-Backbone interact. energy: -1.897 local terms energy: -358.053403 where: bonds (distance) C4'-P energy: -95.878 bonds (distance) P-C4' energy: -87.872 flat angles C4'-P-C4' energy: -76.722 flat angles P-C4'-P energy: -52.713 tors. eta vs tors. theta energy: -44.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -824.073358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.073358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.073358 (E_RNA) where: Base-Base interactions energy: -491.472 where: short stacking energy: -230.091 Base-Backbone interact. energy: -2.501 local terms energy: -330.100671 where: bonds (distance) C4'-P energy: -78.475 bonds (distance) P-C4' energy: -81.708 flat angles C4'-P-C4' energy: -77.624 flat angles P-C4'-P energy: -54.352 tors. eta vs tors. theta energy: -37.941 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: 10, replica: 8 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -367.280627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.280627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.280627 (E_RNA) where: Base-Base interactions energy: -107.023 where: short stacking energy: -87.311 Base-Backbone interact. energy: -0.916 local terms energy: -259.340890 where: bonds (distance) C4'-P energy: -70.738 bonds (distance) P-C4' energy: -83.207 flat angles C4'-P-C4' energy: -79.476 flat angles P-C4'-P energy: -40.214 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: 1, replica: 1 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1760.397107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.397107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.397107 (E_RNA) where: Base-Base interactions energy: -1230.591 where: short stacking energy: -484.831 Base-Backbone interact. energy: -1.700 local terms energy: -528.106221 where: bonds (distance) C4'-P energy: -98.850 bonds (distance) P-C4' energy: -101.726 flat angles C4'-P-C4' energy: -113.487 flat angles P-C4'-P energy: -78.207 tors. eta vs tors. theta energy: -135.837 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: 6 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1713.548746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.548746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.548746 (E_RNA) where: Base-Base interactions energy: -1201.528 where: short stacking energy: -501.639 Base-Backbone interact. energy: -1.566 local terms energy: -510.454582 where: bonds (distance) C4'-P energy: -92.668 bonds (distance) P-C4' energy: -89.929 flat angles C4'-P-C4' energy: -111.893 flat angles P-C4'-P energy: -70.400 tors. eta vs tors. theta energy: -145.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1645.915703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.915703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.915703 (E_RNA) where: Base-Base interactions energy: -1133.545 where: short stacking energy: -484.550 Base-Backbone interact. energy: 2.464 local terms energy: -514.834510 where: bonds (distance) C4'-P energy: -86.627 bonds (distance) P-C4' energy: -98.548 flat angles C4'-P-C4' energy: -112.173 flat angles P-C4'-P energy: -79.210 tors. eta vs tors. theta energy: -138.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1548.322113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.322113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.322113 (E_RNA) where: Base-Base interactions energy: -1068.775 where: short stacking energy: -444.666 Base-Backbone interact. energy: -1.222 local terms energy: -478.325260 where: bonds (distance) C4'-P energy: -79.420 bonds (distance) P-C4' energy: -90.040 flat angles C4'-P-C4' energy: -107.789 flat angles P-C4'-P energy: -74.689 tors. eta vs tors. theta energy: -126.388 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: 7 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1442.385219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.385219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.385219 (E_RNA) where: Base-Base interactions energy: -1007.098 where: short stacking energy: -403.276 Base-Backbone interact. energy: -1.825 local terms energy: -433.462450 where: bonds (distance) C4'-P energy: -85.175 bonds (distance) P-C4' energy: -89.060 flat angles C4'-P-C4' energy: -87.834 flat angles P-C4'-P energy: -58.082 tors. eta vs tors. theta energy: -113.311 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: 6, replica: 2 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1327.176657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.176657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.176657 (E_RNA) where: Base-Base interactions energy: -908.067 where: short stacking energy: -376.954 Base-Backbone interact. energy: 1.379 local terms energy: -420.488641 where: bonds (distance) C4'-P energy: -79.113 bonds (distance) P-C4' energy: -88.808 flat angles C4'-P-C4' energy: -83.548 flat angles P-C4'-P energy: -67.890 tors. eta vs tors. theta energy: -101.130 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: 9 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1130.248878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.248878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.248878 (E_RNA) where: Base-Base interactions energy: -758.740 where: short stacking energy: -333.914 Base-Backbone interact. energy: 0.815 local terms energy: -372.323457 where: bonds (distance) C4'-P energy: -80.478 bonds (distance) P-C4' energy: -75.913 flat angles C4'-P-C4' energy: -81.454 flat angles P-C4'-P energy: -58.521 tors. eta vs tors. theta energy: -75.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -868.287378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.287378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.287378 (E_RNA) where: Base-Base interactions energy: -500.369 where: short stacking energy: -215.611 Base-Backbone interact. energy: -3.555 local terms energy: -364.363418 where: bonds (distance) C4'-P energy: -85.835 bonds (distance) P-C4' energy: -90.938 flat angles C4'-P-C4' energy: -74.440 flat angles P-C4'-P energy: -58.640 tors. eta vs tors. theta energy: -54.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -821.044765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.044765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.044765 (E_RNA) where: Base-Base interactions energy: -474.938 where: short stacking energy: -212.368 Base-Backbone interact. energy: 2.036 local terms energy: -348.142605 where: bonds (distance) C4'-P energy: -78.732 bonds (distance) P-C4' energy: -91.110 flat angles C4'-P-C4' energy: -66.353 flat angles P-C4'-P energy: -72.235 tors. eta vs tors. theta energy: -39.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -393.220778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.220778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.220778 (E_RNA) where: Base-Base interactions energy: -148.002 where: short stacking energy: -104.384 Base-Backbone interact. energy: 1.111 local terms energy: -246.329651 where: bonds (distance) C4'-P energy: -73.747 bonds (distance) P-C4' energy: -85.749 flat angles C4'-P-C4' energy: -60.503 flat angles P-C4'-P energy: -42.872 tors. eta vs tors. theta energy: 16.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1789.835655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.835655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.835655 (E_RNA) where: Base-Base interactions energy: -1260.990 where: short stacking energy: -486.331 Base-Backbone interact. energy: -3.151 local terms energy: -525.694659 where: bonds (distance) C4'-P energy: -91.074 bonds (distance) P-C4' energy: -99.780 flat angles C4'-P-C4' energy: -116.828 flat angles P-C4'-P energy: -74.358 tors. eta vs tors. theta energy: -143.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1712.515979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.515979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.515979 (E_RNA) where: Base-Base interactions energy: -1187.414 where: short stacking energy: -489.344 Base-Backbone interact. energy: 2.930 local terms energy: -528.031930 where: bonds (distance) C4'-P energy: -90.842 bonds (distance) P-C4' energy: -100.826 flat angles C4'-P-C4' energy: -104.495 flat angles P-C4'-P energy: -86.345 tors. eta vs tors. theta energy: -145.523 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: 3 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1645.607555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.607555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.607555 (E_RNA) where: Base-Base interactions energy: -1138.998 where: short stacking energy: -464.104 Base-Backbone interact. energy: -0.272 local terms energy: -506.336664 where: bonds (distance) C4'-P energy: -93.224 bonds (distance) P-C4' energy: -86.716 flat angles C4'-P-C4' energy: -113.831 flat angles P-C4'-P energy: -72.973 tors. eta vs tors. theta energy: -139.593 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: 4 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1535.147047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.147047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.147047 (E_RNA) where: Base-Base interactions energy: -1052.090 where: short stacking energy: -401.094 Base-Backbone interact. energy: 2.452 local terms energy: -485.509025 where: bonds (distance) C4'-P energy: -98.050 bonds (distance) P-C4' energy: -90.082 flat angles C4'-P-C4' energy: -100.384 flat angles P-C4'-P energy: -74.483 tors. eta vs tors. theta energy: -122.510 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: 7 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1415.541669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.541669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.541669 (E_RNA) where: Base-Base interactions energy: -972.643 where: short stacking energy: -395.670 Base-Backbone interact. energy: -3.236 local terms energy: -439.662143 where: bonds (distance) C4'-P energy: -82.972 bonds (distance) P-C4' energy: -78.160 flat angles C4'-P-C4' energy: -96.990 flat angles P-C4'-P energy: -64.853 tors. eta vs tors. theta energy: -116.687 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: 2 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1344.571115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.571115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.571115 (E_RNA) where: Base-Base interactions energy: -869.412 where: short stacking energy: -368.938 Base-Backbone interact. energy: 1.675 local terms energy: -476.834731 where: bonds (distance) C4'-P energy: -103.829 bonds (distance) P-C4' energy: -92.111 flat angles C4'-P-C4' energy: -103.604 flat angles P-C4'-P energy: -59.768 tors. eta vs tors. theta energy: -117.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1152.283837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.283837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.283837 (E_RNA) where: Base-Base interactions energy: -764.803 where: short stacking energy: -337.754 Base-Backbone interact. energy: -0.571 local terms energy: -386.909739 where: bonds (distance) C4'-P energy: -75.594 bonds (distance) P-C4' energy: -77.887 flat angles C4'-P-C4' energy: -94.177 flat angles P-C4'-P energy: -59.493 tors. eta vs tors. theta energy: -79.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -869.290513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.290513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.290513 (E_RNA) where: Base-Base interactions energy: -552.564 where: short stacking energy: -273.613 Base-Backbone interact. energy: -0.540 local terms energy: -316.185902 where: bonds (distance) C4'-P energy: -76.158 bonds (distance) P-C4' energy: -73.796 flat angles C4'-P-C4' energy: -82.933 flat angles P-C4'-P energy: -26.194 tors. eta vs tors. theta energy: -57.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -829.057880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.057880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.057880 (E_RNA) where: Base-Base interactions energy: -510.370 where: short stacking energy: -229.532 Base-Backbone interact. energy: 0.042 local terms energy: -318.730785 where: bonds (distance) C4'-P energy: -64.422 bonds (distance) P-C4' energy: -97.456 flat angles C4'-P-C4' energy: -77.238 flat angles P-C4'-P energy: -46.724 tors. eta vs tors. theta energy: -32.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -386.742219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.742219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.742219 (E_RNA) where: Base-Base interactions energy: -169.418 where: short stacking energy: -112.030 Base-Backbone interact. energy: 4.270 local terms energy: -221.594354 where: bonds (distance) C4'-P energy: -71.731 bonds (distance) P-C4' energy: -85.673 flat angles C4'-P-C4' energy: -56.363 flat angles P-C4'-P energy: -13.886 tors. eta vs tors. theta energy: 6.058 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: 1 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1772.620665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.620665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.620665 (E_RNA) where: Base-Base interactions energy: -1243.629 where: short stacking energy: -491.532 Base-Backbone interact. energy: -1.134 local terms energy: -527.857360 where: bonds (distance) C4'-P energy: -98.911 bonds (distance) P-C4' energy: -94.382 flat angles C4'-P-C4' energy: -109.341 flat angles P-C4'-P energy: -75.959 tors. eta vs tors. theta energy: -149.265 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: 6 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1725.265189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.265189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.265189 (E_RNA) where: Base-Base interactions energy: -1201.026 where: short stacking energy: -485.088 Base-Backbone interact. energy: -3.031 local terms energy: -521.208274 where: bonds (distance) C4'-P energy: -88.049 bonds (distance) P-C4' energy: -93.064 flat angles C4'-P-C4' energy: -119.345 flat angles P-C4'-P energy: -72.025 tors. eta vs tors. theta energy: -148.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1670.961896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.961896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.961896 (E_RNA) where: Base-Base interactions energy: -1137.635 where: short stacking energy: -498.917 Base-Backbone interact. energy: -0.201 local terms energy: -533.125885 where: bonds (distance) C4'-P energy: -87.097 bonds (distance) P-C4' energy: -104.487 flat angles C4'-P-C4' energy: -116.358 flat angles P-C4'-P energy: -77.927 tors. eta vs tors. theta energy: -147.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1529.461849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.461849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.461849 (E_RNA) where: Base-Base interactions energy: -1073.502 where: short stacking energy: -442.828 Base-Backbone interact. energy: 3.118 local terms energy: -459.078287 where: bonds (distance) C4'-P energy: -77.045 bonds (distance) P-C4' energy: -90.141 flat angles C4'-P-C4' energy: -96.576 flat angles P-C4'-P energy: -67.896 tors. eta vs tors. theta energy: -127.420 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: 2 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1414.960745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.960745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.960745 (E_RNA) where: Base-Base interactions energy: -946.894 where: short stacking energy: -420.772 Base-Backbone interact. energy: 0.973 local terms energy: -469.039625 where: bonds (distance) C4'-P energy: -88.564 bonds (distance) P-C4' energy: -90.199 flat angles C4'-P-C4' energy: -94.629 flat angles P-C4'-P energy: -59.514 tors. eta vs tors. theta energy: -136.134 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: 7 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1332.118807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.118807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.118807 (E_RNA) where: Base-Base interactions energy: -911.471 where: short stacking energy: -363.099 Base-Backbone interact. energy: -4.477 local terms energy: -416.171377 where: bonds (distance) C4'-P energy: -75.908 bonds (distance) P-C4' energy: -89.874 flat angles C4'-P-C4' energy: -87.819 flat angles P-C4'-P energy: -64.650 tors. eta vs tors. theta energy: -97.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1138.967892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.967892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.967892 (E_RNA) where: Base-Base interactions energy: -759.404 where: short stacking energy: -327.012 Base-Backbone interact. energy: -1.031 local terms energy: -378.532850 where: bonds (distance) C4'-P energy: -73.562 bonds (distance) P-C4' energy: -91.423 flat angles C4'-P-C4' energy: -77.990 flat angles P-C4'-P energy: -56.459 tors. eta vs tors. theta energy: -79.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -866.400880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.400880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.400880 (E_RNA) where: Base-Base interactions energy: -513.032 where: short stacking energy: -238.954 Base-Backbone interact. energy: -0.347 local terms energy: -353.022184 where: bonds (distance) C4'-P energy: -79.443 bonds (distance) P-C4' energy: -92.998 flat angles C4'-P-C4' energy: -74.190 flat angles P-C4'-P energy: -60.995 tors. eta vs tors. theta energy: -45.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -854.305990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.305990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.305990 (E_RNA) where: Base-Base interactions energy: -523.850 where: short stacking energy: -251.220 Base-Backbone interact. energy: -0.269 local terms energy: -330.187241 where: bonds (distance) C4'-P energy: -76.536 bonds (distance) P-C4' energy: -88.748 flat angles C4'-P-C4' energy: -70.418 flat angles P-C4'-P energy: -45.614 tors. eta vs tors. theta energy: -48.870 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: 10, replica: 8 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -437.250721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.250721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.250721 (E_RNA) where: Base-Base interactions energy: -184.117 where: short stacking energy: -101.147 Base-Backbone interact. energy: 4.984 local terms energy: -258.118372 where: bonds (distance) C4'-P energy: -81.659 bonds (distance) P-C4' energy: -87.039 flat angles C4'-P-C4' energy: -71.781 flat angles P-C4'-P energy: -39.215 tors. eta vs tors. theta energy: 21.576 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: 1, replica: 1 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1781.367956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.367956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.367956 (E_RNA) where: Base-Base interactions energy: -1237.358 where: short stacking energy: -486.960 Base-Backbone interact. energy: -2.326 local terms energy: -541.683114 where: bonds (distance) C4'-P energy: -94.207 bonds (distance) P-C4' energy: -97.673 flat angles C4'-P-C4' energy: -111.788 flat angles P-C4'-P energy: -83.386 tors. eta vs tors. theta energy: -154.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -1692.548041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.548041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.548041 (E_RNA) where: Base-Base interactions energy: -1169.704 where: short stacking energy: -486.147 Base-Backbone interact. energy: -0.381 local terms energy: -522.462634 where: bonds (distance) C4'-P energy: -90.289 bonds (distance) P-C4' energy: -97.696 flat angles C4'-P-C4' energy: -108.233 flat angles P-C4'-P energy: -74.771 tors. eta vs tors. theta energy: -151.473 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: 6 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1691.024521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.024521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.024521 (E_RNA) where: Base-Base interactions energy: -1175.764 where: short stacking energy: -474.847 Base-Backbone interact. energy: -0.535 local terms energy: -514.724937 where: bonds (distance) C4'-P energy: -77.819 bonds (distance) P-C4' energy: -104.850 flat angles C4'-P-C4' energy: -106.819 flat angles P-C4'-P energy: -75.682 tors. eta vs tors. theta energy: -149.553 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: 4, replica: 4 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1518.246367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.246367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.246367 (E_RNA) where: Base-Base interactions energy: -1064.181 where: short stacking energy: -425.511 Base-Backbone interact. energy: -0.682 local terms energy: -453.383931 where: bonds (distance) C4'-P energy: -85.524 bonds (distance) P-C4' energy: -84.290 flat angles C4'-P-C4' energy: -103.929 flat angles P-C4'-P energy: -65.252 tors. eta vs tors. theta energy: -114.389 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: 5, replica: 2 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1451.482735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.482735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.482735 (E_RNA) where: Base-Base interactions energy: -996.566 where: short stacking energy: -421.385 Base-Backbone interact. energy: -0.997 local terms energy: -453.919867 where: bonds (distance) C4'-P energy: -76.947 bonds (distance) P-C4' energy: -95.993 flat angles C4'-P-C4' energy: -93.466 flat angles P-C4'-P energy: -66.591 tors. eta vs tors. theta energy: -120.924 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: 7 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1339.021200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.021200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.021200 (E_RNA) where: Base-Base interactions energy: -925.929 where: short stacking energy: -356.371 Base-Backbone interact. energy: -2.355 local terms energy: -410.737597 where: bonds (distance) C4'-P energy: -74.170 bonds (distance) P-C4' energy: -95.942 flat angles C4'-P-C4' energy: -86.271 flat angles P-C4'-P energy: -61.473 tors. eta vs tors. theta energy: -92.881 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: 9 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1162.547765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.547765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.547765 (E_RNA) where: Base-Base interactions energy: -774.693 where: short stacking energy: -335.302 Base-Backbone interact. energy: -1.267 local terms energy: -386.587526 where: bonds (distance) C4'-P energy: -81.387 bonds (distance) P-C4' energy: -81.690 flat angles C4'-P-C4' energy: -88.586 flat angles P-C4'-P energy: -53.951 tors. eta vs tors. theta energy: -80.974 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: 8, replica: 5 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -856.577137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.577137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.577137 (E_RNA) where: Base-Base interactions energy: -514.122 where: short stacking energy: -230.363 Base-Backbone interact. energy: -1.968 local terms energy: -340.487219 where: bonds (distance) C4'-P energy: -81.977 bonds (distance) P-C4' energy: -83.303 flat angles C4'-P-C4' energy: -83.434 flat angles P-C4'-P energy: -56.871 tors. eta vs tors. theta energy: -34.902 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: 10 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -863.410330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.410330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.410330 (E_RNA) where: Base-Base interactions energy: -505.981 where: short stacking energy: -252.957 Base-Backbone interact. energy: 2.697 local terms energy: -360.126133 where: bonds (distance) C4'-P energy: -84.951 bonds (distance) P-C4' energy: -80.858 flat angles C4'-P-C4' energy: -86.531 flat angles P-C4'-P energy: -54.497 tors. eta vs tors. theta energy: -53.290 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: 8 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -429.548648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.548648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.548648 (E_RNA) where: Base-Base interactions energy: -186.740 where: short stacking energy: -87.650 Base-Backbone interact. energy: 0.856 local terms energy: -243.664596 where: bonds (distance) C4'-P energy: -70.542 bonds (distance) P-C4' energy: -83.719 flat angles C4'-P-C4' energy: -53.061 flat angles P-C4'-P energy: -44.684 tors. eta vs tors. theta energy: 8.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1762.737903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.737903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.737903 (E_RNA) where: Base-Base interactions energy: -1233.923 where: short stacking energy: -486.411 Base-Backbone interact. energy: -0.281 local terms energy: -528.533902 where: bonds (distance) C4'-P energy: -97.794 bonds (distance) P-C4' energy: -99.582 flat angles C4'-P-C4' energy: -95.757 flat angles P-C4'-P energy: -86.488 tors. eta vs tors. theta energy: -148.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1694.941089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.941089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.941089 (E_RNA) where: Base-Base interactions energy: -1172.365 where: short stacking energy: -488.647 Base-Backbone interact. energy: -0.931 local terms energy: -521.644706 where: bonds (distance) C4'-P energy: -92.517 bonds (distance) P-C4' energy: -96.050 flat angles C4'-P-C4' energy: -102.496 flat angles P-C4'-P energy: -78.947 tors. eta vs tors. theta energy: -151.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1686.447021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.447021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.447021 (E_RNA) where: Base-Base interactions energy: -1185.012 where: short stacking energy: -477.486 Base-Backbone interact. energy: -0.566 local terms energy: -500.869361 where: bonds (distance) C4'-P energy: -88.156 bonds (distance) P-C4' energy: -93.876 flat angles C4'-P-C4' energy: -107.330 flat angles P-C4'-P energy: -67.110 tors. eta vs tors. theta energy: -144.398 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: 4 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1582.295170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.295170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.295170 (E_RNA) where: Base-Base interactions energy: -1100.549 where: short stacking energy: -438.820 Base-Backbone interact. energy: 0.299 local terms energy: -482.045420 where: bonds (distance) C4'-P energy: -91.791 bonds (distance) P-C4' energy: -89.716 flat angles C4'-P-C4' energy: -100.335 flat angles P-C4'-P energy: -70.253 tors. eta vs tors. theta energy: -129.951 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: 94 Temperature: 1.100000 Total energy: -1436.581727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.581727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.581727 (E_RNA) where: Base-Base interactions energy: -1005.662 where: short stacking energy: -390.944 Base-Backbone interact. energy: 3.256 local terms energy: -434.175561 where: bonds (distance) C4'-P energy: -85.590 bonds (distance) P-C4' energy: -86.266 flat angles C4'-P-C4' energy: -99.615 flat angles P-C4'-P energy: -64.459 tors. eta vs tors. theta energy: -98.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1393.479603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.479603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.479603 (E_RNA) where: Base-Base interactions energy: -965.449 where: short stacking energy: -400.165 Base-Backbone interact. energy: 2.085 local terms energy: -430.115015 where: bonds (distance) C4'-P energy: -81.057 bonds (distance) P-C4' energy: -84.541 flat angles C4'-P-C4' energy: -103.031 flat angles P-C4'-P energy: -51.454 tors. eta vs tors. theta energy: -110.033 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: 9 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1195.979622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.979622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.979622 (E_RNA) where: Base-Base interactions energy: -794.437 where: short stacking energy: -335.352 Base-Backbone interact. energy: 1.440 local terms energy: -402.982209 where: bonds (distance) C4'-P energy: -82.266 bonds (distance) P-C4' energy: -87.919 flat angles C4'-P-C4' energy: -87.562 flat angles P-C4'-P energy: -62.695 tors. eta vs tors. theta energy: -82.539 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: 5 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -911.807637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.807637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.807637 (E_RNA) where: Base-Base interactions energy: -576.840 where: short stacking energy: -231.561 Base-Backbone interact. energy: 1.978 local terms energy: -336.945618 where: bonds (distance) C4'-P energy: -72.774 bonds (distance) P-C4' energy: -77.999 flat angles C4'-P-C4' energy: -82.999 flat angles P-C4'-P energy: -58.016 tors. eta vs tors. theta energy: -45.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -792.283449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.283449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.283449 (E_RNA) where: Base-Base interactions energy: -472.365 where: short stacking energy: -210.687 Base-Backbone interact. energy: -0.601 local terms energy: -319.317093 where: bonds (distance) C4'-P energy: -76.587 bonds (distance) P-C4' energy: -79.257 flat angles C4'-P-C4' energy: -73.710 flat angles P-C4'-P energy: -52.666 tors. eta vs tors. theta energy: -37.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -450.743081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.743081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.743081 (E_RNA) where: Base-Base interactions energy: -185.124 where: short stacking energy: -119.149 Base-Backbone interact. energy: 2.537 local terms energy: -268.156693 where: bonds (distance) C4'-P energy: -78.009 bonds (distance) P-C4' energy: -83.050 flat angles C4'-P-C4' energy: -75.759 flat angles P-C4'-P energy: -44.779 tors. eta vs tors. theta energy: 13.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1760.856477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.856477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.856477 (E_RNA) where: Base-Base interactions energy: -1230.832 where: short stacking energy: -504.172 Base-Backbone interact. energy: -2.625 local terms energy: -527.398675 where: bonds (distance) C4'-P energy: -91.472 bonds (distance) P-C4' energy: -97.683 flat angles C4'-P-C4' energy: -115.803 flat angles P-C4'-P energy: -65.387 tors. eta vs tors. theta energy: -157.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1732.277439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.277439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.277439 (E_RNA) where: Base-Base interactions energy: -1213.088 where: short stacking energy: -500.177 Base-Backbone interact. energy: -1.366 local terms energy: -517.824160 where: bonds (distance) C4'-P energy: -101.522 bonds (distance) P-C4' energy: -93.234 flat angles C4'-P-C4' energy: -96.622 flat angles P-C4'-P energy: -75.447 tors. eta vs tors. theta energy: -150.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1661.316366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.316366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.316366 (E_RNA) where: Base-Base interactions energy: -1158.878 where: short stacking energy: -484.624 Base-Backbone interact. energy: -0.911 local terms energy: -501.527080 where: bonds (distance) C4'-P energy: -89.928 bonds (distance) P-C4' energy: -83.713 flat angles C4'-P-C4' energy: -101.443 flat angles P-C4'-P energy: -78.216 tors. eta vs tors. theta energy: -148.227 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: 4 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -1512.195792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.195792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.195792 (E_RNA) where: Base-Base interactions energy: -1069.523 where: short stacking energy: -420.016 Base-Backbone interact. energy: -0.666 local terms energy: -442.007538 where: bonds (distance) C4'-P energy: -73.508 bonds (distance) P-C4' energy: -90.138 flat angles C4'-P-C4' energy: -107.524 flat angles P-C4'-P energy: -53.042 tors. eta vs tors. theta energy: -117.796 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: 5, replica: 7 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -1528.387878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.387878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.387878 (E_RNA) where: Base-Base interactions energy: -1041.129 where: short stacking energy: -401.351 Base-Backbone interact. energy: -3.080 local terms energy: -484.178498 where: bonds (distance) C4'-P energy: -85.817 bonds (distance) P-C4' energy: -101.108 flat angles C4'-P-C4' energy: -107.913 flat angles P-C4'-P energy: -72.180 tors. eta vs tors. theta energy: -117.160 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: 2 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1421.760848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.760848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.760848 (E_RNA) where: Base-Base interactions energy: -985.914 where: short stacking energy: -390.325 Base-Backbone interact. energy: 0.526 local terms energy: -436.372920 where: bonds (distance) C4'-P energy: -73.900 bonds (distance) P-C4' energy: -87.676 flat angles C4'-P-C4' energy: -94.855 flat angles P-C4'-P energy: -62.915 tors. eta vs tors. theta energy: -117.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1269.184149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.184149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.184149 (E_RNA) where: Base-Base interactions energy: -855.224 where: short stacking energy: -382.041 Base-Backbone interact. energy: 1.945 local terms energy: -415.905739 where: bonds (distance) C4'-P energy: -79.829 bonds (distance) P-C4' energy: -91.261 flat angles C4'-P-C4' energy: -80.991 flat angles P-C4'-P energy: -65.104 tors. eta vs tors. theta energy: -98.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -924.659967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.659967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.659967 (E_RNA) where: Base-Base interactions energy: -552.953 where: short stacking energy: -241.605 Base-Backbone interact. energy: -0.710 local terms energy: -370.996786 where: bonds (distance) C4'-P energy: -63.477 bonds (distance) P-C4' energy: -99.222 flat angles C4'-P-C4' energy: -73.740 flat angles P-C4'-P energy: -67.030 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: 9, replica: 10 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -826.090191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.090191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.090191 (E_RNA) where: Base-Base interactions energy: -499.674 where: short stacking energy: -213.887 Base-Backbone interact. energy: 0.523 local terms energy: -326.939263 where: bonds (distance) C4'-P energy: -73.542 bonds (distance) P-C4' energy: -91.923 flat angles C4'-P-C4' energy: -69.987 flat angles P-C4'-P energy: -46.393 tors. eta vs tors. theta energy: -45.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -490.918309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.918309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.918309 (E_RNA) where: Base-Base interactions energy: -238.041 where: short stacking energy: -147.991 Base-Backbone interact. energy: -2.608 local terms energy: -250.269429 where: bonds (distance) C4'-P energy: -81.161 bonds (distance) P-C4' energy: -78.184 flat angles C4'-P-C4' energy: -50.463 flat angles P-C4'-P energy: -37.418 tors. eta vs tors. theta energy: -3.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1738.675209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.675209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.675209 (E_RNA) where: Base-Base interactions energy: -1221.494 where: short stacking energy: -481.469 Base-Backbone interact. energy: -0.971 local terms energy: -516.209830 where: bonds (distance) C4'-P energy: -92.638 bonds (distance) P-C4' energy: -95.717 flat angles C4'-P-C4' energy: -111.488 flat angles P-C4'-P energy: -68.702 tors. eta vs tors. theta energy: -147.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1723.201172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.201172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.201172 (E_RNA) where: Base-Base interactions energy: -1209.057 where: short stacking energy: -494.409 Base-Backbone interact. energy: 1.526 local terms energy: -515.670081 where: bonds (distance) C4'-P energy: -92.554 bonds (distance) P-C4' energy: -87.765 flat angles C4'-P-C4' energy: -102.665 flat angles P-C4'-P energy: -79.739 tors. eta vs tors. theta energy: -152.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1635.641424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.641424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.641424 (E_RNA) where: Base-Base interactions energy: -1149.262 where: short stacking energy: -467.960 Base-Backbone interact. energy: -2.344 local terms energy: -484.035413 where: bonds (distance) C4'-P energy: -96.030 bonds (distance) P-C4' energy: -85.331 flat angles C4'-P-C4' energy: -93.270 flat angles P-C4'-P energy: -76.086 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: 4, replica: 4 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1545.748088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.748088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.748088 (E_RNA) where: Base-Base interactions energy: -1081.723 where: short stacking energy: -438.519 Base-Backbone interact. energy: 5.269 local terms energy: -469.294881 where: bonds (distance) C4'-P energy: -84.537 bonds (distance) P-C4' energy: -91.043 flat angles C4'-P-C4' energy: -100.137 flat angles P-C4'-P energy: -65.993 tors. eta vs tors. theta energy: -127.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1458.005316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.005316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.005316 (E_RNA) where: Base-Base interactions energy: -999.057 where: short stacking energy: -413.544 Base-Backbone interact. energy: 2.278 local terms energy: -461.226531 where: bonds (distance) C4'-P energy: -90.404 bonds (distance) P-C4' energy: -82.647 flat angles C4'-P-C4' energy: -109.437 flat angles P-C4'-P energy: -59.295 tors. eta vs tors. theta energy: -119.444 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: 7 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1405.631897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.631897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.631897 (E_RNA) where: Base-Base interactions energy: -968.334 where: short stacking energy: -372.475 Base-Backbone interact. energy: -0.682 local terms energy: -436.615930 where: bonds (distance) C4'-P energy: -83.302 bonds (distance) P-C4' energy: -87.750 flat angles C4'-P-C4' energy: -89.307 flat angles P-C4'-P energy: -66.511 tors. eta vs tors. theta energy: -109.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1261.103596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.103596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.103596 (E_RNA) where: Base-Base interactions energy: -847.923 where: short stacking energy: -350.495 Base-Backbone interact. energy: -0.926 local terms energy: -412.254361 where: bonds (distance) C4'-P energy: -88.867 bonds (distance) P-C4' energy: -84.123 flat angles C4'-P-C4' energy: -90.329 flat angles P-C4'-P energy: -53.942 tors. eta vs tors. theta energy: -94.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -855.403191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.403191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.403191 (E_RNA) where: Base-Base interactions energy: -508.326 where: short stacking energy: -236.964 Base-Backbone interact. energy: -0.867 local terms energy: -346.209930 where: bonds (distance) C4'-P energy: -96.650 bonds (distance) P-C4' energy: -79.718 flat angles C4'-P-C4' energy: -86.169 flat angles P-C4'-P energy: -39.626 tors. eta vs tors. theta energy: -44.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -814.010264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.010264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.010264 (E_RNA) where: Base-Base interactions energy: -480.584 where: short stacking energy: -216.578 Base-Backbone interact. energy: -0.645 local terms energy: -332.781522 where: bonds (distance) C4'-P energy: -77.049 bonds (distance) P-C4' energy: -94.797 flat angles C4'-P-C4' energy: -69.672 flat angles P-C4'-P energy: -53.905 tors. eta vs tors. theta energy: -37.358 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: 10, replica: 8 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -499.755561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.755561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.755561 (E_RNA) where: Base-Base interactions energy: -259.650 where: short stacking energy: -155.061 Base-Backbone interact. energy: 4.330 local terms energy: -244.435694 where: bonds (distance) C4'-P energy: -79.562 bonds (distance) P-C4' energy: -64.554 flat angles C4'-P-C4' energy: -70.072 flat angles P-C4'-P energy: -20.223 tors. eta vs tors. theta energy: -10.025 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: 1 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1752.307977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.307977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.307977 (E_RNA) where: Base-Base interactions energy: -1215.516 where: short stacking energy: -481.745 Base-Backbone interact. energy: -1.559 local terms energy: -535.232215 where: bonds (distance) C4'-P energy: -97.638 bonds (distance) P-C4' energy: -94.153 flat angles C4'-P-C4' energy: -116.431 flat angles P-C4'-P energy: -75.375 tors. eta vs tors. theta energy: -151.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1693.241085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.241085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.241085 (E_RNA) where: Base-Base interactions energy: -1199.968 where: short stacking energy: -487.731 Base-Backbone interact. energy: -1.073 local terms energy: -492.200311 where: bonds (distance) C4'-P energy: -91.037 bonds (distance) P-C4' energy: -86.031 flat angles C4'-P-C4' energy: -101.420 flat angles P-C4'-P energy: -69.909 tors. eta vs tors. theta energy: -143.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1640.195908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.195908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.195908 (E_RNA) where: Base-Base interactions energy: -1153.976 where: short stacking energy: -473.351 Base-Backbone interact. energy: -1.583 local terms energy: -484.636590 where: bonds (distance) C4'-P energy: -90.365 bonds (distance) P-C4' energy: -77.361 flat angles C4'-P-C4' energy: -100.110 flat angles P-C4'-P energy: -70.349 tors. eta vs tors. theta energy: -146.452 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: 4 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -1537.361517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.361517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.361517 (E_RNA) where: Base-Base interactions energy: -1061.521 where: short stacking energy: -410.391 Base-Backbone interact. energy: 0.490 local terms energy: -476.330417 where: bonds (distance) C4'-P energy: -76.327 bonds (distance) P-C4' energy: -100.953 flat angles C4'-P-C4' energy: -101.326 flat angles P-C4'-P energy: -73.921 tors. eta vs tors. theta energy: -123.804 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: 5, replica: 2 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1503.222668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.222668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.222668 (E_RNA) where: Base-Base interactions energy: -1037.359 where: short stacking energy: -420.370 Base-Backbone interact. energy: -0.795 local terms energy: -465.068347 where: bonds (distance) C4'-P energy: -81.142 bonds (distance) P-C4' energy: -96.288 flat angles C4'-P-C4' energy: -96.094 flat angles P-C4'-P energy: -62.988 tors. eta vs tors. theta energy: -128.556 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: 7 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1376.090522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.090522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.090522 (E_RNA) where: Base-Base interactions energy: -979.598 where: short stacking energy: -383.624 Base-Backbone interact. energy: -0.055 local terms energy: -396.437489 where: bonds (distance) C4'-P energy: -67.732 bonds (distance) P-C4' energy: -71.266 flat angles C4'-P-C4' energy: -90.510 flat angles P-C4'-P energy: -63.312 tors. eta vs tors. theta energy: -103.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1290.425971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.425971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.425971 (E_RNA) where: Base-Base interactions energy: -880.309 where: short stacking energy: -358.080 Base-Backbone interact. energy: -1.929 local terms energy: -408.188089 where: bonds (distance) C4'-P energy: -76.180 bonds (distance) P-C4' energy: -75.685 flat angles C4'-P-C4' energy: -97.312 flat angles P-C4'-P energy: -59.599 tors. eta vs tors. theta energy: -99.412 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: 10 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -927.871108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.871108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.871108 (E_RNA) where: Base-Base interactions energy: -559.239 where: short stacking energy: -252.132 Base-Backbone interact. energy: -0.597 local terms energy: -368.035604 where: bonds (distance) C4'-P energy: -81.054 bonds (distance) P-C4' energy: -88.153 flat angles C4'-P-C4' energy: -90.999 flat angles P-C4'-P energy: -55.015 tors. eta vs tors. theta energy: -52.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -860.816405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.816405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.816405 (E_RNA) where: Base-Base interactions energy: -516.484 where: short stacking energy: -246.275 Base-Backbone interact. energy: -2.293 local terms energy: -342.039994 where: bonds (distance) C4'-P energy: -78.584 bonds (distance) P-C4' energy: -90.967 flat angles C4'-P-C4' energy: -65.930 flat angles P-C4'-P energy: -54.760 tors. eta vs tors. theta energy: -51.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -521.217153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.217153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.217153 (E_RNA) where: Base-Base interactions energy: -249.543 where: short stacking energy: -152.648 Base-Backbone interact. energy: 4.317 local terms energy: -275.990748 where: bonds (distance) C4'-P energy: -59.682 bonds (distance) P-C4' energy: -88.867 flat angles C4'-P-C4' energy: -72.283 flat angles P-C4'-P energy: -46.226 tors. eta vs tors. theta energy: -8.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1726.768463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.768463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.768463 (E_RNA) where: Base-Base interactions energy: -1194.530 where: short stacking energy: -484.468 Base-Backbone interact. energy: -1.375 local terms energy: -530.863198 where: bonds (distance) C4'-P energy: -99.884 bonds (distance) P-C4' energy: -94.746 flat angles C4'-P-C4' energy: -112.136 flat angles P-C4'-P energy: -75.925 tors. eta vs tors. theta energy: -148.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1696.800128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.800128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.800128 (E_RNA) where: Base-Base interactions energy: -1185.595 where: short stacking energy: -478.112 Base-Backbone interact. energy: -0.999 local terms energy: -510.206633 where: bonds (distance) C4'-P energy: -96.719 bonds (distance) P-C4' energy: -77.194 flat angles C4'-P-C4' energy: -103.204 flat angles P-C4'-P energy: -82.984 tors. eta vs tors. theta energy: -150.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1633.913509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.913509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.913509 (E_RNA) where: Base-Base interactions energy: -1128.892 where: short stacking energy: -469.960 Base-Backbone interact. energy: -1.946 local terms energy: -503.075314 where: bonds (distance) C4'-P energy: -80.658 bonds (distance) P-C4' energy: -94.132 flat angles C4'-P-C4' energy: -108.505 flat angles P-C4'-P energy: -78.021 tors. eta vs tors. theta energy: -141.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1556.130870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.130870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.130870 (E_RNA) where: Base-Base interactions energy: -1086.409 where: short stacking energy: -425.590 Base-Backbone interact. energy: 1.162 local terms energy: -470.883319 where: bonds (distance) C4'-P energy: -85.914 bonds (distance) P-C4' energy: -92.023 flat angles C4'-P-C4' energy: -99.721 flat angles P-C4'-P energy: -63.192 tors. eta vs tors. theta energy: -130.034 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: 2 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1523.528054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.528054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.528054 (E_RNA) where: Base-Base interactions energy: -1032.947 where: short stacking energy: -413.226 Base-Backbone interact. energy: 1.335 local terms energy: -491.915991 where: bonds (distance) C4'-P energy: -82.282 bonds (distance) P-C4' energy: -100.697 flat angles C4'-P-C4' energy: -112.365 flat angles P-C4'-P energy: -71.550 tors. eta vs tors. theta energy: -125.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1348.022265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.022265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.022265 (E_RNA) where: Base-Base interactions energy: -929.679 where: short stacking energy: -364.380 Base-Backbone interact. energy: -3.140 local terms energy: -415.203732 where: bonds (distance) C4'-P energy: -76.092 bonds (distance) P-C4' energy: -87.765 flat angles C4'-P-C4' energy: -102.447 flat angles P-C4'-P energy: -52.717 tors. eta vs tors. theta energy: -96.183 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: 9 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1293.270525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.270525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.270525 (E_RNA) where: Base-Base interactions energy: -900.634 where: short stacking energy: -364.247 Base-Backbone interact. energy: -1.576 local terms energy: -391.060535 where: bonds (distance) C4'-P energy: -62.556 bonds (distance) P-C4' energy: -83.541 flat angles C4'-P-C4' energy: -77.356 flat angles P-C4'-P energy: -66.523 tors. eta vs tors. theta energy: -101.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -917.562422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.562422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.562422 (E_RNA) where: Base-Base interactions energy: -582.346 where: short stacking energy: -262.376 Base-Backbone interact. energy: 0.859 local terms energy: -336.075316 where: bonds (distance) C4'-P energy: -72.330 bonds (distance) P-C4' energy: -80.290 flat angles C4'-P-C4' energy: -79.827 flat angles P-C4'-P energy: -41.646 tors. eta vs tors. theta energy: -61.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -870.523089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.523089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.523089 (E_RNA) where: Base-Base interactions energy: -545.065 where: short stacking energy: -253.070 Base-Backbone interact. energy: 4.331 local terms energy: -329.789416 where: bonds (distance) C4'-P energy: -85.508 bonds (distance) P-C4' energy: -68.946 flat angles C4'-P-C4' energy: -77.247 flat angles P-C4'-P energy: -53.886 tors. eta vs tors. theta energy: -44.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -509.859094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.859094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.859094 (E_RNA) where: Base-Base interactions energy: -248.697 where: short stacking energy: -134.630 Base-Backbone interact. energy: -1.059 local terms energy: -260.103104 where: bonds (distance) C4'-P energy: -79.954 bonds (distance) P-C4' energy: -78.718 flat angles C4'-P-C4' energy: -80.353 flat angles P-C4'-P energy: -25.312 tors. eta vs tors. theta energy: 4.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1733.411854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.411854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.411854 (E_RNA) where: Base-Base interactions energy: -1198.300 where: short stacking energy: -502.108 Base-Backbone interact. energy: -1.625 local terms energy: -533.487238 where: bonds (distance) C4'-P energy: -91.862 bonds (distance) P-C4' energy: -96.746 flat angles C4'-P-C4' energy: -114.862 flat angles P-C4'-P energy: -75.478 tors. eta vs tors. theta energy: -154.540 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: 6 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1670.853062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.853062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.853062 (E_RNA) where: Base-Base interactions energy: -1162.806 where: short stacking energy: -474.483 Base-Backbone interact. energy: -2.244 local terms energy: -505.803202 where: bonds (distance) C4'-P energy: -87.819 bonds (distance) P-C4' energy: -87.029 flat angles C4'-P-C4' energy: -104.454 flat angles P-C4'-P energy: -78.251 tors. eta vs tors. theta energy: -148.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1635.773334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.773334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.773334 (E_RNA) where: Base-Base interactions energy: -1120.888 where: short stacking energy: -468.102 Base-Backbone interact. energy: -2.111 local terms energy: -512.774720 where: bonds (distance) C4'-P energy: -92.303 bonds (distance) P-C4' energy: -103.292 flat angles C4'-P-C4' energy: -111.220 flat angles P-C4'-P energy: -60.476 tors. eta vs tors. theta energy: -145.484 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: 4 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1541.102779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.102779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.102779 (E_RNA) where: Base-Base interactions energy: -1086.207 where: short stacking energy: -429.858 Base-Backbone interact. energy: 0.378 local terms energy: -455.273558 where: bonds (distance) C4'-P energy: -87.886 bonds (distance) P-C4' energy: -93.847 flat angles C4'-P-C4' energy: -98.874 flat angles P-C4'-P energy: -48.429 tors. eta vs tors. theta energy: -126.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1535.603491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.603491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.603491 (E_RNA) where: Base-Base interactions energy: -1043.904 where: short stacking energy: -430.224 Base-Backbone interact. energy: -2.509 local terms energy: -489.190960 where: bonds (distance) C4'-P energy: -95.388 bonds (distance) P-C4' energy: -92.382 flat angles C4'-P-C4' energy: -100.477 flat angles P-C4'-P energy: -68.556 tors. eta vs tors. theta energy: -132.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1305.684351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.684351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.684351 (E_RNA) where: Base-Base interactions energy: -884.464 where: short stacking energy: -385.600 Base-Backbone interact. energy: -1.736 local terms energy: -419.484564 where: bonds (distance) C4'-P energy: -82.516 bonds (distance) P-C4' energy: -82.991 flat angles C4'-P-C4' energy: -87.470 flat angles P-C4'-P energy: -50.751 tors. eta vs tors. theta energy: -115.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1301.944550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.944550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.944550 (E_RNA) where: Base-Base interactions energy: -886.909 where: short stacking energy: -349.632 Base-Backbone interact. energy: -2.607 local terms energy: -412.428138 where: bonds (distance) C4'-P energy: -78.491 bonds (distance) P-C4' energy: -96.312 flat angles C4'-P-C4' energy: -97.370 flat angles P-C4'-P energy: -53.805 tors. eta vs tors. theta energy: -86.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -832.410409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.410409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.410409 (E_RNA) where: Base-Base interactions energy: -496.358 where: short stacking energy: -219.588 Base-Backbone interact. energy: -2.555 local terms energy: -333.497224 where: bonds (distance) C4'-P energy: -74.731 bonds (distance) P-C4' energy: -86.029 flat angles C4'-P-C4' energy: -88.654 flat angles P-C4'-P energy: -51.880 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: 9, replica: 5 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -855.053498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.053498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.053498 (E_RNA) where: Base-Base interactions energy: -499.319 where: short stacking energy: -233.965 Base-Backbone interact. energy: -1.630 local terms energy: -354.104679 where: bonds (distance) C4'-P energy: -80.823 bonds (distance) P-C4' energy: -88.489 flat angles C4'-P-C4' energy: -90.036 flat angles P-C4'-P energy: -44.881 tors. eta vs tors. theta energy: -49.874 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: 99 Temperature: 1.350000 Total energy: -509.111995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.111995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.111995 (E_RNA) where: Base-Base interactions energy: -238.227 where: short stacking energy: -122.587 Base-Backbone interact. energy: 0.059 local terms energy: -270.943680 where: bonds (distance) C4'-P energy: -74.640 bonds (distance) P-C4' energy: -80.850 flat angles C4'-P-C4' energy: -66.747 flat angles P-C4'-P energy: -54.078 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: 1 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1723.960715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.960715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.960715 (E_RNA) where: Base-Base interactions energy: -1184.811 where: short stacking energy: -487.812 Base-Backbone interact. energy: -1.530 local terms energy: -537.619907 where: bonds (distance) C4'-P energy: -94.369 bonds (distance) P-C4' energy: -97.804 flat angles C4'-P-C4' energy: -110.811 flat angles P-C4'-P energy: -76.414 tors. eta vs tors. theta energy: -158.223 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: 6 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1683.356957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.356957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.356957 (E_RNA) where: Base-Base interactions energy: -1161.988 where: short stacking energy: -466.392 Base-Backbone interact. energy: 0.148 local terms energy: -521.516974 where: bonds (distance) C4'-P energy: -101.777 bonds (distance) P-C4' energy: -103.314 flat angles C4'-P-C4' energy: -111.038 flat angles P-C4'-P energy: -71.179 tors. eta vs tors. theta energy: -134.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1634.580168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.580168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.580168 (E_RNA) where: Base-Base interactions energy: -1123.113 where: short stacking energy: -478.980 Base-Backbone interact. energy: 1.277 local terms energy: -512.744334 where: bonds (distance) C4'-P energy: -91.210 bonds (distance) P-C4' energy: -100.030 flat angles C4'-P-C4' energy: -108.037 flat angles P-C4'-P energy: -65.288 tors. eta vs tors. theta energy: -148.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1552.351979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.351979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.351979 (E_RNA) where: Base-Base interactions energy: -1075.767 where: short stacking energy: -424.825 Base-Backbone interact. energy: 2.076 local terms energy: -478.660893 where: bonds (distance) C4'-P energy: -94.646 bonds (distance) P-C4' energy: -88.365 flat angles C4'-P-C4' energy: -106.838 flat angles P-C4'-P energy: -62.838 tors. eta vs tors. theta energy: -125.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -1527.575146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.575146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.575146 (E_RNA) where: Base-Base interactions energy: -1070.876 where: short stacking energy: -424.132 Base-Backbone interact. energy: -2.192 local terms energy: -454.507153 where: bonds (distance) C4'-P energy: -89.796 bonds (distance) P-C4' energy: -83.030 flat angles C4'-P-C4' energy: -93.064 flat angles P-C4'-P energy: -62.421 tors. eta vs tors. theta energy: -126.197 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: 9 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1302.555952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.555952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.555952 (E_RNA) where: Base-Base interactions energy: -880.381 where: short stacking energy: -366.166 Base-Backbone interact. energy: -3.893 local terms energy: -418.281599 where: bonds (distance) C4'-P energy: -80.714 bonds (distance) P-C4' energy: -72.069 flat angles C4'-P-C4' energy: -98.865 flat angles P-C4'-P energy: -66.114 tors. eta vs tors. theta energy: -100.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1356.313313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.313313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.313313 (E_RNA) where: Base-Base interactions energy: -932.825 where: short stacking energy: -363.232 Base-Backbone interact. energy: 9.862 local terms energy: -433.351035 where: bonds (distance) C4'-P energy: -95.123 bonds (distance) P-C4' energy: -84.500 flat angles C4'-P-C4' energy: -101.754 flat angles P-C4'-P energy: -56.508 tors. eta vs tors. theta energy: -95.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -849.132718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.132718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.132718 (E_RNA) where: Base-Base interactions energy: -534.073 where: short stacking energy: -244.015 Base-Backbone interact. energy: -4.023 local terms energy: -311.037093 where: bonds (distance) C4'-P energy: -82.981 bonds (distance) P-C4' energy: -85.973 flat angles C4'-P-C4' energy: -60.589 flat angles P-C4'-P energy: -50.844 tors. eta vs tors. theta energy: -30.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -846.811754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.811754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.811754 (E_RNA) where: Base-Base interactions energy: -517.612 where: short stacking energy: -220.211 Base-Backbone interact. energy: -0.549 local terms energy: -328.651108 where: bonds (distance) C4'-P energy: -74.449 bonds (distance) P-C4' energy: -86.825 flat angles C4'-P-C4' energy: -87.479 flat angles P-C4'-P energy: -52.068 tors. eta vs tors. theta energy: -27.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -524.179741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.179741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.179741 (E_RNA) where: Base-Base interactions energy: -245.828 where: short stacking energy: -145.589 Base-Backbone interact. energy: 1.500 local terms energy: -279.851629 where: bonds (distance) C4'-P energy: -65.963 bonds (distance) P-C4' energy: -78.667 flat angles C4'-P-C4' energy: -69.581 flat angles P-C4'-P energy: -56.394 tors. eta vs tors. theta energy: -9.247 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: 1 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1759.541861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.541861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.541861 (E_RNA) where: Base-Base interactions energy: -1225.686 where: short stacking energy: -528.938 Base-Backbone interact. energy: -3.019 local terms energy: -530.836990 where: bonds (distance) C4'-P energy: -91.691 bonds (distance) P-C4' energy: -92.527 flat angles C4'-P-C4' energy: -117.211 flat angles P-C4'-P energy: -68.567 tors. eta vs tors. theta energy: -160.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1668.146122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.146122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.146122 (E_RNA) where: Base-Base interactions energy: -1143.264 where: short stacking energy: -490.738 Base-Backbone interact. energy: -2.138 local terms energy: -522.743795 where: bonds (distance) C4'-P energy: -99.511 bonds (distance) P-C4' energy: -88.712 flat angles C4'-P-C4' energy: -112.018 flat angles P-C4'-P energy: -80.441 tors. eta vs tors. theta energy: -142.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1654.525776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.525776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.525776 (E_RNA) where: Base-Base interactions energy: -1142.796 where: short stacking energy: -459.029 Base-Backbone interact. energy: -2.198 local terms energy: -509.531868 where: bonds (distance) C4'-P energy: -88.699 bonds (distance) P-C4' energy: -85.025 flat angles C4'-P-C4' energy: -111.695 flat angles P-C4'-P energy: -77.687 tors. eta vs tors. theta energy: -146.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1572.095128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.095128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.095128 (E_RNA) where: Base-Base interactions energy: -1091.411 where: short stacking energy: -427.361 Base-Backbone interact. energy: -4.309 local terms energy: -476.374680 where: bonds (distance) C4'-P energy: -90.883 bonds (distance) P-C4' energy: -89.032 flat angles C4'-P-C4' energy: -104.830 flat angles P-C4'-P energy: -61.251 tors. eta vs tors. theta energy: -130.378 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: 2 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1512.650391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.650391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.650391 (E_RNA) where: Base-Base interactions energy: -1042.961 where: short stacking energy: -441.732 Base-Backbone interact. energy: -1.386 local terms energy: -468.303405 where: bonds (distance) C4'-P energy: -82.477 bonds (distance) P-C4' energy: -100.824 flat angles C4'-P-C4' energy: -87.959 flat angles P-C4'-P energy: -68.387 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: 6, replica: 7 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1328.135729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.135729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.135729 (E_RNA) where: Base-Base interactions energy: -891.362 where: short stacking energy: -340.116 Base-Backbone interact. energy: -3.082 local terms energy: -433.692081 where: bonds (distance) C4'-P energy: -84.171 bonds (distance) P-C4' energy: -85.418 flat angles C4'-P-C4' energy: -102.133 flat angles P-C4'-P energy: -62.545 tors. eta vs tors. theta energy: -99.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1312.183951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.183951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.183951 (E_RNA) where: Base-Base interactions energy: -909.493 where: short stacking energy: -377.810 Base-Backbone interact. energy: 1.517 local terms energy: -404.208023 where: bonds (distance) C4'-P energy: -78.612 bonds (distance) P-C4' energy: -78.523 flat angles C4'-P-C4' energy: -89.566 flat angles P-C4'-P energy: -54.503 tors. eta vs tors. theta energy: -103.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -945.621660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.621660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.621660 (E_RNA) where: Base-Base interactions energy: -632.997 where: short stacking energy: -271.297 Base-Backbone interact. energy: -0.847 local terms energy: -311.777935 where: bonds (distance) C4'-P energy: -71.603 bonds (distance) P-C4' energy: -82.729 flat angles C4'-P-C4' energy: -71.562 flat angles P-C4'-P energy: -46.174 tors. eta vs tors. theta energy: -39.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -821.232438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.232438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.232438 (E_RNA) where: Base-Base interactions energy: -496.269 where: short stacking energy: -235.569 Base-Backbone interact. energy: -1.481 local terms energy: -323.482295 where: bonds (distance) C4'-P energy: -65.691 bonds (distance) P-C4' energy: -79.888 flat angles C4'-P-C4' energy: -82.889 flat angles P-C4'-P energy: -57.292 tors. eta vs tors. theta energy: -37.723 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: 8 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -524.781963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.781963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.781963 (E_RNA) where: Base-Base interactions energy: -254.125 where: short stacking energy: -152.005 Base-Backbone interact. energy: -0.809 local terms energy: -269.847522 where: bonds (distance) C4'-P energy: -76.570 bonds (distance) P-C4' energy: -82.610 flat angles C4'-P-C4' energy: -66.755 flat angles P-C4'-P energy: -44.986 tors. eta vs tors. theta energy: 1.074 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: 1, replica: 1 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1747.455908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.455908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.455908 (E_RNA) where: Base-Base interactions energy: -1207.319 where: short stacking energy: -509.828 Base-Backbone interact. energy: 0.970 local terms energy: -541.106921 where: bonds (distance) C4'-P energy: -89.520 bonds (distance) P-C4' energy: -96.854 flat angles C4'-P-C4' energy: -114.727 flat angles P-C4'-P energy: -82.688 tors. eta vs tors. theta energy: -157.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -1657.344040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.344040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.344040 (E_RNA) where: Base-Base interactions energy: -1143.612 where: short stacking energy: -480.159 Base-Backbone interact. energy: -0.690 local terms energy: -513.041644 where: bonds (distance) C4'-P energy: -97.332 bonds (distance) P-C4' energy: -89.782 flat angles C4'-P-C4' energy: -109.460 flat angles P-C4'-P energy: -72.166 tors. eta vs tors. theta energy: -144.301 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: 6 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1665.844081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.844081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.844081 (E_RNA) where: Base-Base interactions energy: -1164.160 where: short stacking energy: -472.223 Base-Backbone interact. energy: -0.646 local terms energy: -501.038268 where: bonds (distance) C4'-P energy: -67.753 bonds (distance) P-C4' energy: -101.558 flat angles C4'-P-C4' energy: -104.557 flat angles P-C4'-P energy: -76.024 tors. eta vs tors. theta energy: -151.147 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: 4 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1546.557209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.557209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.557209 (E_RNA) where: Base-Base interactions energy: -1078.934 where: short stacking energy: -421.767 Base-Backbone interact. energy: -2.197 local terms energy: -465.426512 where: bonds (distance) C4'-P energy: -89.004 bonds (distance) P-C4' energy: -100.544 flat angles C4'-P-C4' energy: -93.574 flat angles P-C4'-P energy: -58.573 tors. eta vs tors. theta energy: -123.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1526.113368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.113368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.113368 (E_RNA) where: Base-Base interactions energy: -1078.473 where: short stacking energy: -419.294 Base-Backbone interact. energy: 2.917 local terms energy: -450.557292 where: bonds (distance) C4'-P energy: -84.440 bonds (distance) P-C4' energy: -92.973 flat angles C4'-P-C4' energy: -86.880 flat angles P-C4'-P energy: -65.928 tors. eta vs tors. theta energy: -120.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1398.194485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.194485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.194485 (E_RNA) where: Base-Base interactions energy: -951.612 where: short stacking energy: -353.132 Base-Backbone interact. energy: -2.374 local terms energy: -444.208597 where: bonds (distance) C4'-P energy: -101.583 bonds (distance) P-C4' energy: -90.152 flat angles C4'-P-C4' energy: -87.155 flat angles P-C4'-P energy: -64.396 tors. eta vs tors. theta energy: -100.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1299.331308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.331308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.331308 (E_RNA) where: Base-Base interactions energy: -899.548 where: short stacking energy: -382.053 Base-Backbone interact. energy: 1.637 local terms energy: -401.420523 where: bonds (distance) C4'-P energy: -66.423 bonds (distance) P-C4' energy: -72.657 flat angles C4'-P-C4' energy: -98.028 flat angles P-C4'-P energy: -67.520 tors. eta vs tors. theta energy: -96.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1028.299021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.299021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.299021 (E_RNA) where: Base-Base interactions energy: -649.251 where: short stacking energy: -299.068 Base-Backbone interact. energy: -2.476 local terms energy: -376.571989 where: bonds (distance) C4'-P energy: -73.366 bonds (distance) P-C4' energy: -102.345 flat angles C4'-P-C4' energy: -89.665 flat angles P-C4'-P energy: -42.125 tors. eta vs tors. theta energy: -69.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -775.832368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.832368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.832368 (E_RNA) where: Base-Base interactions energy: -422.735 where: short stacking energy: -218.611 Base-Backbone interact. energy: -0.453 local terms energy: -352.644935 where: bonds (distance) C4'-P energy: -89.382 bonds (distance) P-C4' energy: -92.452 flat angles C4'-P-C4' energy: -87.244 flat angles P-C4'-P energy: -41.844 tors. eta vs tors. theta energy: -41.723 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: 8 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -581.262689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.262689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.262689 (E_RNA) where: Base-Base interactions energy: -286.778 where: short stacking energy: -150.886 Base-Backbone interact. energy: -0.171 local terms energy: -294.313392 where: bonds (distance) C4'-P energy: -85.440 bonds (distance) P-C4' energy: -84.728 flat angles C4'-P-C4' energy: -74.303 flat angles P-C4'-P energy: -48.045 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: 1, replica: 1 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1756.055755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.055755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.055755 (E_RNA) where: Base-Base interactions energy: -1186.715 where: short stacking energy: -502.865 Base-Backbone interact. energy: -1.832 local terms energy: -567.508196 where: bonds (distance) C4'-P energy: -104.268 bonds (distance) P-C4' energy: -107.011 flat angles C4'-P-C4' energy: -116.145 flat angles P-C4'-P energy: -80.197 tors. eta vs tors. theta energy: -159.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1671.217873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.217873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.217873 (E_RNA) where: Base-Base interactions energy: -1173.213 where: short stacking energy: -470.597 Base-Backbone interact. energy: -3.526 local terms energy: -494.479314 where: bonds (distance) C4'-P energy: -89.989 bonds (distance) P-C4' energy: -84.078 flat angles C4'-P-C4' energy: -111.806 flat angles P-C4'-P energy: -63.275 tors. eta vs tors. theta energy: -145.331 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: 3 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1665.435184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.435184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.435184 (E_RNA) where: Base-Base interactions energy: -1158.311 where: short stacking energy: -472.976 Base-Backbone interact. energy: -0.997 local terms energy: -506.127077 where: bonds (distance) C4'-P energy: -84.529 bonds (distance) P-C4' energy: -88.031 flat angles C4'-P-C4' energy: -98.450 flat angles P-C4'-P energy: -81.392 tors. eta vs tors. theta energy: -153.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1556.661679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.661679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.661679 (E_RNA) where: Base-Base interactions energy: -1069.842 where: short stacking energy: -398.669 Base-Backbone interact. energy: -0.704 local terms energy: -486.115774 where: bonds (distance) C4'-P energy: -103.269 bonds (distance) P-C4' energy: -99.709 flat angles C4'-P-C4' energy: -102.478 flat angles P-C4'-P energy: -63.291 tors. eta vs tors. theta energy: -117.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1514.888492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.888492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.888492 (E_RNA) where: Base-Base interactions energy: -1067.761 where: short stacking energy: -404.589 Base-Backbone interact. energy: -0.840 local terms energy: -446.287054 where: bonds (distance) C4'-P energy: -76.097 bonds (distance) P-C4' energy: -86.651 flat angles C4'-P-C4' energy: -99.854 flat angles P-C4'-P energy: -67.418 tors. eta vs tors. theta energy: -116.267 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: 7 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1434.195405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.195405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.195405 (E_RNA) where: Base-Base interactions energy: -985.873 where: short stacking energy: -411.516 Base-Backbone interact. energy: 3.701 local terms energy: -452.024172 where: bonds (distance) C4'-P energy: -80.990 bonds (distance) P-C4' energy: -92.853 flat angles C4'-P-C4' energy: -96.167 flat angles P-C4'-P energy: -61.661 tors. eta vs tors. theta energy: -120.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1293.034569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.034569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.034569 (E_RNA) where: Base-Base interactions energy: -866.575 where: short stacking energy: -365.603 Base-Backbone interact. energy: -1.584 local terms energy: -424.876073 where: bonds (distance) C4'-P energy: -62.617 bonds (distance) P-C4' energy: -90.432 flat angles C4'-P-C4' energy: -101.047 flat angles P-C4'-P energy: -66.498 tors. eta vs tors. theta energy: -104.283 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: 5 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1084.762201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.762201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.762201 (E_RNA) where: Base-Base interactions energy: -709.642 where: short stacking energy: -294.159 Base-Backbone interact. energy: 0.621 local terms energy: -375.740989 where: bonds (distance) C4'-P energy: -71.765 bonds (distance) P-C4' energy: -79.157 flat angles C4'-P-C4' energy: -88.654 flat angles P-C4'-P energy: -57.384 tors. eta vs tors. theta energy: -78.781 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: 10 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -753.207048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.207048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.207048 (E_RNA) where: Base-Base interactions energy: -450.623 where: short stacking energy: -205.241 Base-Backbone interact. energy: -1.376 local terms energy: -301.207824 where: bonds (distance) C4'-P energy: -65.398 bonds (distance) P-C4' energy: -89.465 flat angles C4'-P-C4' energy: -78.665 flat angles P-C4'-P energy: -48.446 tors. eta vs tors. theta energy: -19.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -553.375691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.375691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.375691 (E_RNA) where: Base-Base interactions energy: -268.675 where: short stacking energy: -147.480 Base-Backbone interact. energy: -2.602 local terms energy: -282.098688 where: bonds (distance) C4'-P energy: -86.084 bonds (distance) P-C4' energy: -79.953 flat angles C4'-P-C4' energy: -67.970 flat angles P-C4'-P energy: -40.022 tors. eta vs tors. theta energy: -8.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1758.401016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.401016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.401016 (E_RNA) where: Base-Base interactions energy: -1216.646 where: short stacking energy: -484.093 Base-Backbone interact. energy: -0.046 local terms energy: -541.708797 where: bonds (distance) C4'-P energy: -100.347 bonds (distance) P-C4' energy: -106.555 flat angles C4'-P-C4' energy: -117.662 flat angles P-C4'-P energy: -72.473 tors. eta vs tors. theta energy: -144.672 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: 6 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1641.732680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.732680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.732680 (E_RNA) where: Base-Base interactions energy: -1131.349 where: short stacking energy: -447.406 Base-Backbone interact. energy: -2.692 local terms energy: -507.691548 where: bonds (distance) C4'-P energy: -91.591 bonds (distance) P-C4' energy: -101.398 flat angles C4'-P-C4' energy: -105.014 flat angles P-C4'-P energy: -79.875 tors. eta vs tors. theta energy: -129.815 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: 3 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1680.884789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.884789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.884789 (E_RNA) where: Base-Base interactions energy: -1180.029 where: short stacking energy: -480.847 Base-Backbone interact. energy: -0.939 local terms energy: -499.916367 where: bonds (distance) C4'-P energy: -86.106 bonds (distance) P-C4' energy: -94.415 flat angles C4'-P-C4' energy: -98.422 flat angles P-C4'-P energy: -67.244 tors. eta vs tors. theta energy: -153.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1590.022219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.022219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.022219 (E_RNA) where: Base-Base interactions energy: -1105.893 where: short stacking energy: -441.505 Base-Backbone interact. energy: -0.598 local terms energy: -483.530852 where: bonds (distance) C4'-P energy: -90.413 bonds (distance) P-C4' energy: -81.992 flat angles C4'-P-C4' energy: -96.231 flat angles P-C4'-P energy: -81.739 tors. eta vs tors. theta energy: -133.156 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: 4 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1515.957007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.957007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.957007 (E_RNA) where: Base-Base interactions energy: -1048.883 where: short stacking energy: -409.946 Base-Backbone interact. energy: -1.789 local terms energy: -465.284469 where: bonds (distance) C4'-P energy: -79.281 bonds (distance) P-C4' energy: -100.866 flat angles C4'-P-C4' energy: -104.413 flat angles P-C4'-P energy: -58.924 tors. eta vs tors. theta energy: -121.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1394.987569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.987569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.987569 (E_RNA) where: Base-Base interactions energy: -945.892 where: short stacking energy: -395.331 Base-Backbone interact. energy: -0.022 local terms energy: -449.073312 where: bonds (distance) C4'-P energy: -88.563 bonds (distance) P-C4' energy: -87.477 flat angles C4'-P-C4' energy: -103.226 flat angles P-C4'-P energy: -63.134 tors. eta vs tors. theta energy: -106.673 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: 9 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1271.295739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.295739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.295739 (E_RNA) where: Base-Base interactions energy: -873.699 where: short stacking energy: -365.395 Base-Backbone interact. energy: 3.633 local terms energy: -401.229435 where: bonds (distance) C4'-P energy: -71.261 bonds (distance) P-C4' energy: -75.942 flat angles C4'-P-C4' energy: -100.589 flat angles P-C4'-P energy: -67.245 tors. eta vs tors. theta energy: -86.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1098.932720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.932720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.932720 (E_RNA) where: Base-Base interactions energy: -739.793 where: short stacking energy: -316.271 Base-Backbone interact. energy: -0.251 local terms energy: -358.888131 where: bonds (distance) C4'-P energy: -78.219 bonds (distance) P-C4' energy: -71.695 flat angles C4'-P-C4' energy: -85.593 flat angles P-C4'-P energy: -55.335 tors. eta vs tors. theta energy: -68.047 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: 10 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -773.093865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.093865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.093865 (E_RNA) where: Base-Base interactions energy: -487.145 where: short stacking energy: -223.851 Base-Backbone interact. energy: 0.228 local terms energy: -286.177375 where: bonds (distance) C4'-P energy: -87.433 bonds (distance) P-C4' energy: -69.737 flat angles C4'-P-C4' energy: -63.751 flat angles P-C4'-P energy: -35.509 tors. eta vs tors. theta energy: -29.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -563.179365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.179365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.179365 (E_RNA) where: Base-Base interactions energy: -281.475 where: short stacking energy: -150.012 Base-Backbone interact. energy: -1.078 local terms energy: -280.626209 where: bonds (distance) C4'-P energy: -72.706 bonds (distance) P-C4' energy: -78.238 flat angles C4'-P-C4' energy: -74.349 flat angles P-C4'-P energy: -43.899 tors. eta vs tors. theta energy: -11.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1739.608463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.608463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.608463 (E_RNA) where: Base-Base interactions energy: -1208.361 where: short stacking energy: -487.887 Base-Backbone interact. energy: -0.490 local terms energy: -530.757653 where: bonds (distance) C4'-P energy: -102.501 bonds (distance) P-C4' energy: -98.764 flat angles C4'-P-C4' energy: -111.277 flat angles P-C4'-P energy: -69.733 tors. eta vs tors. theta energy: -148.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1741.558931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.558931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.558931 (E_RNA) where: Base-Base interactions energy: -1211.180 where: short stacking energy: -508.860 Base-Backbone interact. energy: -1.854 local terms energy: -528.524983 where: bonds (distance) C4'-P energy: -91.443 bonds (distance) P-C4' energy: -91.510 flat angles C4'-P-C4' energy: -102.091 flat angles P-C4'-P energy: -81.254 tors. eta vs tors. theta energy: -162.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1635.406868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.406868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.406868 (E_RNA) where: Base-Base interactions energy: -1137.885 where: short stacking energy: -450.829 Base-Backbone interact. energy: -2.680 local terms energy: -494.841611 where: bonds (distance) C4'-P energy: -83.268 bonds (distance) P-C4' energy: -93.494 flat angles C4'-P-C4' energy: -110.186 flat angles P-C4'-P energy: -77.377 tors. eta vs tors. theta energy: -130.517 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: 105 Temperature: 1.050000 Total energy: -1568.044806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.044806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.044806 (E_RNA) where: Base-Base interactions energy: -1101.410 where: short stacking energy: -426.094 Base-Backbone interact. energy: -1.370 local terms energy: -465.264711 where: bonds (distance) C4'-P energy: -83.175 bonds (distance) P-C4' energy: -94.808 flat angles C4'-P-C4' energy: -96.677 flat angles P-C4'-P energy: -61.468 tors. eta vs tors. theta energy: -129.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -1502.446993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.446993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.446993 (E_RNA) where: Base-Base interactions energy: -1065.018 where: short stacking energy: -408.615 Base-Backbone interact. energy: -2.276 local terms energy: -435.153465 where: bonds (distance) C4'-P energy: -89.501 bonds (distance) P-C4' energy: -77.556 flat angles C4'-P-C4' energy: -95.867 flat angles P-C4'-P energy: -57.316 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: 6, replica: 7 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1388.884511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.884511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.884511 (E_RNA) where: Base-Base interactions energy: -977.183 where: short stacking energy: -384.466 Base-Backbone interact. energy: 2.247 local terms energy: -413.947896 where: bonds (distance) C4'-P energy: -78.248 bonds (distance) P-C4' energy: -79.359 flat angles C4'-P-C4' energy: -96.280 flat angles P-C4'-P energy: -67.693 tors. eta vs tors. theta energy: -92.368 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: 9 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1267.777075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.777075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.777075 (E_RNA) where: Base-Base interactions energy: -834.066 where: short stacking energy: -353.970 Base-Backbone interact. energy: -1.580 local terms energy: -432.131786 where: bonds (distance) C4'-P energy: -91.425 bonds (distance) P-C4' energy: -86.235 flat angles C4'-P-C4' energy: -97.297 flat angles P-C4'-P energy: -60.267 tors. eta vs tors. theta energy: -96.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1138.146644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.146644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.146644 (E_RNA) where: Base-Base interactions energy: -777.796 where: short stacking energy: -324.508 Base-Backbone interact. energy: 0.630 local terms energy: -360.980661 where: bonds (distance) C4'-P energy: -79.126 bonds (distance) P-C4' energy: -75.127 flat angles C4'-P-C4' energy: -82.868 flat angles P-C4'-P energy: -47.947 tors. eta vs tors. theta energy: -75.913 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: 10 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -823.267676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.267676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.267676 (E_RNA) where: Base-Base interactions energy: -501.538 where: short stacking energy: -223.686 Base-Backbone interact. energy: -0.808 local terms energy: -320.921886 where: bonds (distance) C4'-P energy: -92.423 bonds (distance) P-C4' energy: -71.366 flat angles C4'-P-C4' energy: -71.325 flat angles P-C4'-P energy: -44.247 tors. eta vs tors. theta energy: -41.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -538.120898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.120898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.120898 (E_RNA) where: Base-Base interactions energy: -260.174 where: short stacking energy: -140.861 Base-Backbone interact. energy: 1.195 local terms energy: -279.142100 where: bonds (distance) C4'-P energy: -83.046 bonds (distance) P-C4' energy: -77.448 flat angles C4'-P-C4' energy: -72.103 flat angles P-C4'-P energy: -37.577 tors. eta vs tors. theta energy: -8.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1795.170042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.170042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.170042 (E_RNA) where: Base-Base interactions energy: -1241.973 where: short stacking energy: -524.557 Base-Backbone interact. energy: -2.058 local terms energy: -551.138254 where: bonds (distance) C4'-P energy: -98.316 bonds (distance) P-C4' energy: -92.652 flat angles C4'-P-C4' energy: -107.190 flat angles P-C4'-P energy: -84.582 tors. eta vs tors. theta energy: -168.398 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: 1 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1723.510790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.510790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.510790 (E_RNA) where: Base-Base interactions energy: -1212.292 where: short stacking energy: -497.691 Base-Backbone interact. energy: -1.322 local terms energy: -509.896524 where: bonds (distance) C4'-P energy: -94.508 bonds (distance) P-C4' energy: -87.222 flat angles C4'-P-C4' energy: -103.930 flat angles P-C4'-P energy: -72.526 tors. eta vs tors. theta energy: -151.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1620.316011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.316011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.316011 (E_RNA) where: Base-Base interactions energy: -1098.626 where: short stacking energy: -434.633 Base-Backbone interact. energy: -1.604 local terms energy: -520.085526 where: bonds (distance) C4'-P energy: -88.660 bonds (distance) P-C4' energy: -101.922 flat angles C4'-P-C4' energy: -105.271 flat angles P-C4'-P energy: -84.065 tors. eta vs tors. theta energy: -140.168 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: 4, replica: 2 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1564.409137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.409137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.409137 (E_RNA) where: Base-Base interactions energy: -1076.320 where: short stacking energy: -418.626 Base-Backbone interact. energy: -2.486 local terms energy: -485.603299 where: bonds (distance) C4'-P energy: -90.804 bonds (distance) P-C4' energy: -91.074 flat angles C4'-P-C4' energy: -102.134 flat angles P-C4'-P energy: -68.624 tors. eta vs tors. theta energy: -132.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1453.564282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.564282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.564282 (E_RNA) where: Base-Base interactions energy: -1010.291 where: short stacking energy: -385.807 Base-Backbone interact. energy: -1.979 local terms energy: -441.293990 where: bonds (distance) C4'-P energy: -85.634 bonds (distance) P-C4' energy: -83.194 flat angles C4'-P-C4' energy: -96.679 flat angles P-C4'-P energy: -74.069 tors. eta vs tors. theta energy: -101.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1455.599849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.599849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.599849 (E_RNA) where: Base-Base interactions energy: -1019.597 where: short stacking energy: -398.156 Base-Backbone interact. energy: 0.890 local terms energy: -436.893131 where: bonds (distance) C4'-P energy: -91.241 bonds (distance) P-C4' energy: -76.867 flat angles C4'-P-C4' energy: -96.810 flat angles P-C4'-P energy: -66.552 tors. eta vs tors. theta energy: -105.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1308.634599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.634599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.634599 (E_RNA) where: Base-Base interactions energy: -895.790 where: short stacking energy: -400.160 Base-Backbone interact. energy: -0.802 local terms energy: -412.042577 where: bonds (distance) C4'-P energy: -80.265 bonds (distance) P-C4' energy: -77.050 flat angles C4'-P-C4' energy: -93.463 flat angles P-C4'-P energy: -50.158 tors. eta vs tors. theta energy: -111.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1109.876760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.876760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.876760 (E_RNA) where: Base-Base interactions energy: -711.440 where: short stacking energy: -309.738 Base-Backbone interact. energy: 2.471 local terms energy: -400.907655 where: bonds (distance) C4'-P energy: -79.281 bonds (distance) P-C4' energy: -78.666 flat angles C4'-P-C4' energy: -103.636 flat angles P-C4'-P energy: -51.521 tors. eta vs tors. theta energy: -87.803 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: 10 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -753.453745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.453745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.453745 (E_RNA) where: Base-Base interactions energy: -452.391 where: short stacking energy: -215.143 Base-Backbone interact. energy: 0.417 local terms energy: -301.479935 where: bonds (distance) C4'-P energy: -67.911 bonds (distance) P-C4' energy: -84.986 flat angles C4'-P-C4' energy: -57.201 flat angles P-C4'-P energy: -60.897 tors. eta vs tors. theta energy: -30.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -533.527207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.527207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.527207 (E_RNA) where: Base-Base interactions energy: -298.438 where: short stacking energy: -151.203 Base-Backbone interact. energy: -0.108 local terms energy: -234.981147 where: bonds (distance) C4'-P energy: -61.147 bonds (distance) P-C4' energy: -91.383 flat angles C4'-P-C4' energy: -61.808 flat angles P-C4'-P energy: -23.245 tors. eta vs tors. theta energy: 2.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1791.072791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.072791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.072791 (E_RNA) where: Base-Base interactions energy: -1255.353 where: short stacking energy: -531.624 Base-Backbone interact. energy: -2.115 local terms energy: -533.604276 where: bonds (distance) C4'-P energy: -79.499 bonds (distance) P-C4' energy: -105.131 flat angles C4'-P-C4' energy: -107.434 flat angles P-C4'-P energy: -76.577 tors. eta vs tors. theta energy: -164.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1717.238172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.238172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.238172 (E_RNA) where: Base-Base interactions energy: -1208.788 where: short stacking energy: -497.433 Base-Backbone interact. energy: -2.318 local terms energy: -506.131478 where: bonds (distance) C4'-P energy: -94.961 bonds (distance) P-C4' energy: -76.142 flat angles C4'-P-C4' energy: -109.611 flat angles P-C4'-P energy: -74.393 tors. eta vs tors. theta energy: -151.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1643.274902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.274902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.274902 (E_RNA) where: Base-Base interactions energy: -1138.638 where: short stacking energy: -464.277 Base-Backbone interact. energy: -1.673 local terms energy: -502.963397 where: bonds (distance) C4'-P energy: -98.239 bonds (distance) P-C4' energy: -88.528 flat angles C4'-P-C4' energy: -106.635 flat angles P-C4'-P energy: -69.779 tors. eta vs tors. theta energy: -139.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1569.317112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.317112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.317112 (E_RNA) where: Base-Base interactions energy: -1085.710 where: short stacking energy: -430.576 Base-Backbone interact. energy: -2.003 local terms energy: -481.604068 where: bonds (distance) C4'-P energy: -93.083 bonds (distance) P-C4' energy: -95.234 flat angles C4'-P-C4' energy: -98.015 flat angles P-C4'-P energy: -66.437 tors. eta vs tors. theta energy: -128.835 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: 5, replica: 7 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1493.588586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.588586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.588586 (E_RNA) where: Base-Base interactions energy: -1034.964 where: short stacking energy: -407.534 Base-Backbone interact. energy: -2.186 local terms energy: -456.438056 where: bonds (distance) C4'-P energy: -81.587 bonds (distance) P-C4' energy: -89.052 flat angles C4'-P-C4' energy: -100.174 flat angles P-C4'-P energy: -67.755 tors. eta vs tors. theta energy: -117.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1430.767217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.767217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.767217 (E_RNA) where: Base-Base interactions energy: -1004.616 where: short stacking energy: -400.270 Base-Backbone interact. energy: 0.033 local terms energy: -426.184523 where: bonds (distance) C4'-P energy: -74.187 bonds (distance) P-C4' energy: -78.517 flat angles C4'-P-C4' energy: -93.374 flat angles P-C4'-P energy: -62.524 tors. eta vs tors. theta energy: -117.583 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: 107 Temperature: 1.200000 Total energy: -1311.415331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.415331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.415331 (E_RNA) where: Base-Base interactions energy: -911.924 where: short stacking energy: -396.502 Base-Backbone interact. energy: -0.624 local terms energy: -398.867691 where: bonds (distance) C4'-P energy: -74.874 bonds (distance) P-C4' energy: -75.417 flat angles C4'-P-C4' energy: -78.672 flat angles P-C4'-P energy: -57.595 tors. eta vs tors. theta energy: -112.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1173.877883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.877883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.877883 (E_RNA) where: Base-Base interactions energy: -787.622 where: short stacking energy: -326.521 Base-Backbone interact. energy: -0.895 local terms energy: -385.361527 where: bonds (distance) C4'-P energy: -79.711 bonds (distance) P-C4' energy: -86.693 flat angles C4'-P-C4' energy: -84.842 flat angles P-C4'-P energy: -48.451 tors. eta vs tors. theta energy: -85.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -750.401233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.401233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.401233 (E_RNA) where: Base-Base interactions energy: -429.802 where: short stacking energy: -212.464 Base-Backbone interact. energy: -0.603 local terms energy: -319.996246 where: bonds (distance) C4'-P energy: -80.583 bonds (distance) P-C4' energy: -79.479 flat angles C4'-P-C4' energy: -61.170 flat angles P-C4'-P energy: -63.034 tors. eta vs tors. theta energy: -35.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -573.519637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.519637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.519637 (E_RNA) where: Base-Base interactions energy: -255.999 where: short stacking energy: -135.169 Base-Backbone interact. energy: -1.841 local terms energy: -315.679804 where: bonds (distance) C4'-P energy: -86.298 bonds (distance) P-C4' energy: -79.847 flat angles C4'-P-C4' energy: -74.307 flat angles P-C4'-P energy: -54.177 tors. eta vs tors. theta energy: -21.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1783.058560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.058560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.058560 (E_RNA) where: Base-Base interactions energy: -1255.900 where: short stacking energy: -514.889 Base-Backbone interact. energy: -1.222 local terms energy: -525.936143 where: bonds (distance) C4'-P energy: -95.449 bonds (distance) P-C4' energy: -87.882 flat angles C4'-P-C4' energy: -115.000 flat angles P-C4'-P energy: -72.176 tors. eta vs tors. theta energy: -155.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1737.549425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.549425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.549425 (E_RNA) where: Base-Base interactions energy: -1186.177 where: short stacking energy: -478.715 Base-Backbone interact. energy: -2.670 local terms energy: -548.701876 where: bonds (distance) C4'-P energy: -100.333 bonds (distance) P-C4' energy: -105.447 flat angles C4'-P-C4' energy: -109.023 flat angles P-C4'-P energy: -79.806 tors. eta vs tors. theta energy: -154.092 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: 6 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1642.477923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.477923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.477923 (E_RNA) where: Base-Base interactions energy: -1155.261 where: short stacking energy: -466.224 Base-Backbone interact. energy: -2.337 local terms energy: -484.880142 where: bonds (distance) C4'-P energy: -87.905 bonds (distance) P-C4' energy: -89.564 flat angles C4'-P-C4' energy: -91.601 flat angles P-C4'-P energy: -77.983 tors. eta vs tors. theta energy: -137.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1577.373263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.373263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.373263 (E_RNA) where: Base-Base interactions energy: -1094.959 where: short stacking energy: -439.809 Base-Backbone interact. energy: -2.920 local terms energy: -479.494751 where: bonds (distance) C4'-P energy: -81.614 bonds (distance) P-C4' energy: -92.333 flat angles C4'-P-C4' energy: -103.228 flat angles P-C4'-P energy: -61.944 tors. eta vs tors. theta energy: -140.376 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: 7 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1466.810556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.810556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.810556 (E_RNA) where: Base-Base interactions energy: -1018.175 where: short stacking energy: -413.827 Base-Backbone interact. energy: -1.742 local terms energy: -446.893289 where: bonds (distance) C4'-P energy: -80.143 bonds (distance) P-C4' energy: -82.081 flat angles C4'-P-C4' energy: -97.587 flat angles P-C4'-P energy: -70.700 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: 6, replica: 4 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1439.564980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.564980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.564980 (E_RNA) where: Base-Base interactions energy: -1006.829 where: short stacking energy: -406.803 Base-Backbone interact. energy: 0.895 local terms energy: -433.631502 where: bonds (distance) C4'-P energy: -84.091 bonds (distance) P-C4' energy: -78.518 flat angles C4'-P-C4' energy: -96.263 flat angles P-C4'-P energy: -59.654 tors. eta vs tors. theta energy: -115.105 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: 9 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1308.574789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.574789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.574789 (E_RNA) where: Base-Base interactions energy: -874.410 where: short stacking energy: -379.091 Base-Backbone interact. energy: -1.149 local terms energy: -433.016064 where: bonds (distance) C4'-P energy: -82.348 bonds (distance) P-C4' energy: -80.319 flat angles C4'-P-C4' energy: -101.339 flat angles P-C4'-P energy: -64.940 tors. eta vs tors. theta energy: -104.071 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: 5 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1190.988205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.988205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.988205 (E_RNA) where: Base-Base interactions energy: -782.352 where: short stacking energy: -343.766 Base-Backbone interact. energy: -1.753 local terms energy: -406.884007 where: bonds (distance) C4'-P energy: -89.725 bonds (distance) P-C4' energy: -80.681 flat angles C4'-P-C4' energy: -89.307 flat angles P-C4'-P energy: -61.935 tors. eta vs tors. theta energy: -85.237 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: 10 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -717.784955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.784955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.784955 (E_RNA) where: Base-Base interactions energy: -408.729 where: short stacking energy: -198.582 Base-Backbone interact. energy: 4.248 local terms energy: -313.303993 where: bonds (distance) C4'-P energy: -79.307 bonds (distance) P-C4' energy: -74.247 flat angles C4'-P-C4' energy: -86.682 flat angles P-C4'-P energy: -48.059 tors. eta vs tors. theta energy: -25.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -503.540644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.540644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.540644 (E_RNA) where: Base-Base interactions energy: -232.672 where: short stacking energy: -133.556 Base-Backbone interact. energy: -0.094 local terms energy: -270.774646 where: bonds (distance) C4'-P energy: -76.405 bonds (distance) P-C4' energy: -88.633 flat angles C4'-P-C4' energy: -61.039 flat angles P-C4'-P energy: -36.963 tors. eta vs tors. theta energy: -7.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1781.631478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.631478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.631478 (E_RNA) where: Base-Base interactions energy: -1236.369 where: short stacking energy: -512.042 Base-Backbone interact. energy: 0.207 local terms energy: -545.468962 where: bonds (distance) C4'-P energy: -101.139 bonds (distance) P-C4' energy: -98.329 flat angles C4'-P-C4' energy: -111.353 flat angles P-C4'-P energy: -74.663 tors. eta vs tors. theta energy: -159.985 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: 1 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1736.812968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.812968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.812968 (E_RNA) where: Base-Base interactions energy: -1226.380 where: short stacking energy: -479.104 Base-Backbone interact. energy: -3.498 local terms energy: -506.934596 where: bonds (distance) C4'-P energy: -97.433 bonds (distance) P-C4' energy: -88.112 flat angles C4'-P-C4' energy: -111.042 flat angles P-C4'-P energy: -63.322 tors. eta vs tors. theta energy: -147.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1637.930540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.930540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.930540 (E_RNA) where: Base-Base interactions energy: -1171.066 where: short stacking energy: -473.472 Base-Backbone interact. energy: 1.187 local terms energy: -468.051544 where: bonds (distance) C4'-P energy: -79.833 bonds (distance) P-C4' energy: -78.331 flat angles C4'-P-C4' energy: -106.495 flat angles P-C4'-P energy: -68.901 tors. eta vs tors. theta energy: -134.491 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: 4, replica: 2 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1558.337853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.337853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.337853 (E_RNA) where: Base-Base interactions energy: -1075.946 where: short stacking energy: -426.830 Base-Backbone interact. energy: -1.474 local terms energy: -480.918391 where: bonds (distance) C4'-P energy: -84.973 bonds (distance) P-C4' energy: -98.711 flat angles C4'-P-C4' energy: -110.150 flat angles P-C4'-P energy: -65.716 tors. eta vs tors. theta energy: -121.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -1452.549815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.549815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.549815 (E_RNA) where: Base-Base interactions energy: -1006.024 where: short stacking energy: -371.471 Base-Backbone interact. energy: -1.613 local terms energy: -444.913346 where: bonds (distance) C4'-P energy: -71.704 bonds (distance) P-C4' energy: -95.795 flat angles C4'-P-C4' energy: -97.338 flat angles P-C4'-P energy: -74.905 tors. eta vs tors. theta energy: -105.171 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: 4 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1454.225218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.225218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.225218 (E_RNA) where: Base-Base interactions energy: -1008.490 where: short stacking energy: -405.696 Base-Backbone interact. energy: 0.230 local terms energy: -445.964889 where: bonds (distance) C4'-P energy: -92.223 bonds (distance) P-C4' energy: -86.788 flat angles C4'-P-C4' energy: -98.702 flat angles P-C4'-P energy: -57.642 tors. eta vs tors. theta energy: -110.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1289.911288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.911288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.911288 (E_RNA) where: Base-Base interactions energy: -860.862 where: short stacking energy: -358.626 Base-Backbone interact. energy: -0.819 local terms energy: -428.230018 where: bonds (distance) C4'-P energy: -85.527 bonds (distance) P-C4' energy: -92.443 flat angles C4'-P-C4' energy: -86.955 flat angles P-C4'-P energy: -57.755 tors. eta vs tors. theta energy: -105.550 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: 5 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1139.840202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.840202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.840202 (E_RNA) where: Base-Base interactions energy: -771.181 where: short stacking energy: -322.155 Base-Backbone interact. energy: -2.060 local terms energy: -366.599675 where: bonds (distance) C4'-P energy: -75.049 bonds (distance) P-C4' energy: -76.444 flat angles C4'-P-C4' energy: -70.518 flat angles P-C4'-P energy: -64.251 tors. eta vs tors. theta energy: -80.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -757.050125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.050125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.050125 (E_RNA) where: Base-Base interactions energy: -448.353 where: short stacking energy: -212.672 Base-Backbone interact. energy: -0.607 local terms energy: -308.089686 where: bonds (distance) C4'-P energy: -81.232 bonds (distance) P-C4' energy: -90.259 flat angles C4'-P-C4' energy: -72.501 flat angles P-C4'-P energy: -33.124 tors. eta vs tors. theta energy: -30.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -513.891970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.891970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.891970 (E_RNA) where: Base-Base interactions energy: -227.596 where: short stacking energy: -138.279 Base-Backbone interact. energy: -2.179 local terms energy: -284.117111 where: bonds (distance) C4'-P energy: -83.594 bonds (distance) P-C4' energy: -81.124 flat angles C4'-P-C4' energy: -68.417 flat angles P-C4'-P energy: -39.502 tors. eta vs tors. theta energy: -11.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1775.837353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.837353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.837353 (E_RNA) where: Base-Base interactions energy: -1255.035 where: short stacking energy: -493.725 Base-Backbone interact. energy: -1.775 local terms energy: -519.027656 where: bonds (distance) C4'-P energy: -85.676 bonds (distance) P-C4' energy: -90.072 flat angles C4'-P-C4' energy: -118.518 flat angles P-C4'-P energy: -71.471 tors. eta vs tors. theta energy: -153.291 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: 3 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1743.707531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.707531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.707531 (E_RNA) where: Base-Base interactions energy: -1212.927 where: short stacking energy: -503.307 Base-Backbone interact. energy: -1.129 local terms energy: -529.652219 where: bonds (distance) C4'-P energy: -85.859 bonds (distance) P-C4' energy: -94.866 flat angles C4'-P-C4' energy: -112.130 flat angles P-C4'-P energy: -72.025 tors. eta vs tors. theta energy: -164.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1628.369844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.369844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.369844 (E_RNA) where: Base-Base interactions energy: -1108.973 where: short stacking energy: -437.925 Base-Backbone interact. energy: -1.243 local terms energy: -518.153624 where: bonds (distance) C4'-P energy: -102.531 bonds (distance) P-C4' energy: -89.406 flat angles C4'-P-C4' energy: -110.458 flat angles P-C4'-P energy: -78.196 tors. eta vs tors. theta energy: -137.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1591.331199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.331199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.331199 (E_RNA) where: Base-Base interactions energy: -1102.064 where: short stacking energy: -421.963 Base-Backbone interact. energy: -2.839 local terms energy: -486.428211 where: bonds (distance) C4'-P energy: -103.213 bonds (distance) P-C4' energy: -86.647 flat angles C4'-P-C4' energy: -99.566 flat angles P-C4'-P energy: -71.347 tors. eta vs tors. theta energy: -125.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1506.306771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.306771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.306771 (E_RNA) where: Base-Base interactions energy: -1071.245 where: short stacking energy: -409.074 Base-Backbone interact. energy: -4.447 local terms energy: -430.614819 where: bonds (distance) C4'-P energy: -77.446 bonds (distance) P-C4' energy: -89.130 flat angles C4'-P-C4' energy: -97.851 flat angles P-C4'-P energy: -56.702 tors. eta vs tors. theta energy: -109.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1433.248866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.248866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.248866 (E_RNA) where: Base-Base interactions energy: -985.258 where: short stacking energy: -399.110 Base-Backbone interact. energy: 3.512 local terms energy: -451.503446 where: bonds (distance) C4'-P energy: -77.072 bonds (distance) P-C4' energy: -95.484 flat angles C4'-P-C4' energy: -103.090 flat angles P-C4'-P energy: -61.381 tors. eta vs tors. theta energy: -114.476 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: 9 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1281.898060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.898060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.898060 (E_RNA) where: Base-Base interactions energy: -890.179 where: short stacking energy: -361.277 Base-Backbone interact. energy: -0.309 local terms energy: -391.410591 where: bonds (distance) C4'-P energy: -72.064 bonds (distance) P-C4' energy: -70.940 flat angles C4'-P-C4' energy: -87.082 flat angles P-C4'-P energy: -57.586 tors. eta vs tors. theta energy: -103.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1145.394180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.394180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.394180 (E_RNA) where: Base-Base interactions energy: -759.284 where: short stacking energy: -324.190 Base-Backbone interact. energy: 0.372 local terms energy: -386.481494 where: bonds (distance) C4'-P energy: -89.866 bonds (distance) P-C4' energy: -80.637 flat angles C4'-P-C4' energy: -72.043 flat angles P-C4'-P energy: -62.886 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: 9, replica: 10 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -757.892867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.892867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.892867 (E_RNA) where: Base-Base interactions energy: -433.300 where: short stacking energy: -224.719 Base-Backbone interact. energy: -4.202 local terms energy: -320.390592 where: bonds (distance) C4'-P energy: -83.805 bonds (distance) P-C4' energy: -72.650 flat angles C4'-P-C4' energy: -89.782 flat angles P-C4'-P energy: -38.464 tors. eta vs tors. theta energy: -35.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -560.415624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.415624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.415624 (E_RNA) where: Base-Base interactions energy: -270.114 where: short stacking energy: -140.557 Base-Backbone interact. energy: -0.393 local terms energy: -289.908621 where: bonds (distance) C4'-P energy: -81.582 bonds (distance) P-C4' energy: -94.889 flat angles C4'-P-C4' energy: -75.844 flat angles P-C4'-P energy: -37.921 tors. eta vs tors. theta energy: 0.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1804.176913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.176913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.176913 (E_RNA) where: Base-Base interactions energy: -1259.641 where: short stacking energy: -493.422 Base-Backbone interact. energy: -3.283 local terms energy: -541.253263 where: bonds (distance) C4'-P energy: -97.299 bonds (distance) P-C4' energy: -105.186 flat angles C4'-P-C4' energy: -107.902 flat angles P-C4'-P energy: -77.514 tors. eta vs tors. theta energy: -153.352 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: 3 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1734.306416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.306416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.306416 (E_RNA) where: Base-Base interactions energy: -1218.530 where: short stacking energy: -493.909 Base-Backbone interact. energy: 0.693 local terms energy: -516.469398 where: bonds (distance) C4'-P energy: -95.613 bonds (distance) P-C4' energy: -89.139 flat angles C4'-P-C4' energy: -102.145 flat angles P-C4'-P energy: -76.515 tors. eta vs tors. theta energy: -153.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1653.749564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.749564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.749564 (E_RNA) where: Base-Base interactions energy: -1134.793 where: short stacking energy: -440.926 Base-Backbone interact. energy: 1.088 local terms energy: -520.043795 where: bonds (distance) C4'-P energy: -96.788 bonds (distance) P-C4' energy: -81.344 flat angles C4'-P-C4' energy: -113.744 flat angles P-C4'-P energy: -88.522 tors. eta vs tors. theta energy: -139.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1553.937908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.937908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.937908 (E_RNA) where: Base-Base interactions energy: -1075.566 where: short stacking energy: -420.481 Base-Backbone interact. energy: 1.438 local terms energy: -479.809616 where: bonds (distance) C4'-P energy: -91.787 bonds (distance) P-C4' energy: -85.861 flat angles C4'-P-C4' energy: -101.633 flat angles P-C4'-P energy: -68.017 tors. eta vs tors. theta energy: -132.512 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: 4 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1466.958249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.958249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.958249 (E_RNA) where: Base-Base interactions energy: -1043.705 where: short stacking energy: -412.450 Base-Backbone interact. energy: 2.731 local terms energy: -425.984464 where: bonds (distance) C4'-P energy: -78.190 bonds (distance) P-C4' energy: -78.877 flat angles C4'-P-C4' energy: -98.985 flat angles P-C4'-P energy: -58.414 tors. eta vs tors. theta energy: -111.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1375.906438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.906438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.906438 (E_RNA) where: Base-Base interactions energy: -946.211 where: short stacking energy: -388.356 Base-Backbone interact. energy: -0.592 local terms energy: -429.102977 where: bonds (distance) C4'-P energy: -78.538 bonds (distance) P-C4' energy: -92.578 flat angles C4'-P-C4' energy: -94.630 flat angles P-C4'-P energy: -63.237 tors. eta vs tors. theta energy: -100.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1295.933794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.933794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.933794 (E_RNA) where: Base-Base interactions energy: -881.317 where: short stacking energy: -362.212 Base-Backbone interact. energy: -0.039 local terms energy: -414.577924 where: bonds (distance) C4'-P energy: -63.773 bonds (distance) P-C4' energy: -87.280 flat angles C4'-P-C4' energy: -94.834 flat angles P-C4'-P energy: -58.684 tors. eta vs tors. theta energy: -110.007 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: 5 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1192.724360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.724360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.724360 (E_RNA) where: Base-Base interactions energy: -773.472 where: short stacking energy: -324.429 Base-Backbone interact. energy: -1.000 local terms energy: -418.251913 where: bonds (distance) C4'-P energy: -91.871 bonds (distance) P-C4' energy: -80.014 flat angles C4'-P-C4' energy: -89.684 flat angles P-C4'-P energy: -68.059 tors. eta vs tors. theta energy: -88.624 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: 10 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -777.080275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.080275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.080275 (E_RNA) where: Base-Base interactions energy: -445.864 where: short stacking energy: -215.014 Base-Backbone interact. energy: 0.965 local terms energy: -332.181072 where: bonds (distance) C4'-P energy: -85.131 bonds (distance) P-C4' energy: -83.989 flat angles C4'-P-C4' energy: -71.767 flat angles P-C4'-P energy: -48.717 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: 10, replica: 8 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -551.468158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.468158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.468158 (E_RNA) where: Base-Base interactions energy: -259.151 where: short stacking energy: -147.870 Base-Backbone interact. energy: 3.486 local terms energy: -295.802989 where: bonds (distance) C4'-P energy: -85.424 bonds (distance) P-C4' energy: -85.658 flat angles C4'-P-C4' energy: -77.807 flat angles P-C4'-P energy: -36.143 tors. eta vs tors. theta energy: -10.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1796.710331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.710331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.710331 (E_RNA) where: Base-Base interactions energy: -1253.654 where: short stacking energy: -489.350 Base-Backbone interact. energy: -3.442 local terms energy: -539.614430 where: bonds (distance) C4'-P energy: -98.807 bonds (distance) P-C4' energy: -100.825 flat angles C4'-P-C4' energy: -115.237 flat angles P-C4'-P energy: -77.367 tors. eta vs tors. theta energy: -147.379 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: 3 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1748.024596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.024596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.024596 (E_RNA) where: Base-Base interactions energy: -1209.439 where: short stacking energy: -496.725 Base-Backbone interact. energy: -0.775 local terms energy: -537.810631 where: bonds (distance) C4'-P energy: -88.598 bonds (distance) P-C4' energy: -108.574 flat angles C4'-P-C4' energy: -111.290 flat angles P-C4'-P energy: -72.126 tors. eta vs tors. theta energy: -157.223 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: 3, replica: 6 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1610.220886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.220886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.220886 (E_RNA) where: Base-Base interactions energy: -1114.035 where: short stacking energy: -428.734 Base-Backbone interact. energy: -3.026 local terms energy: -493.160068 where: bonds (distance) C4'-P energy: -90.084 bonds (distance) P-C4' energy: -91.420 flat angles C4'-P-C4' energy: -105.067 flat angles P-C4'-P energy: -81.652 tors. eta vs tors. theta energy: -124.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1528.421053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.421053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.421053 (E_RNA) where: Base-Base interactions energy: -1063.744 where: short stacking energy: -417.413 Base-Backbone interact. energy: -2.358 local terms energy: -462.319109 where: bonds (distance) C4'-P energy: -83.296 bonds (distance) P-C4' energy: -69.665 flat angles C4'-P-C4' energy: -103.475 flat angles P-C4'-P energy: -80.906 tors. eta vs tors. theta energy: -124.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1471.382923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.382923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.382923 (E_RNA) where: Base-Base interactions energy: -1043.041 where: short stacking energy: -413.984 Base-Backbone interact. energy: 0.057 local terms energy: -428.398079 where: bonds (distance) C4'-P energy: -83.494 bonds (distance) P-C4' energy: -77.059 flat angles C4'-P-C4' energy: -91.776 flat angles P-C4'-P energy: -58.889 tors. eta vs tors. theta energy: -117.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1418.628829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.628829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.628829 (E_RNA) where: Base-Base interactions energy: -988.681 where: short stacking energy: -385.237 Base-Backbone interact. energy: -1.741 local terms energy: -428.207115 where: bonds (distance) C4'-P energy: -87.777 bonds (distance) P-C4' energy: -84.851 flat angles C4'-P-C4' energy: -89.910 flat angles P-C4'-P energy: -57.396 tors. eta vs tors. theta energy: -108.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1325.329834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.329834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.329834 (E_RNA) where: Base-Base interactions energy: -899.825 where: short stacking energy: -372.640 Base-Backbone interact. energy: -0.798 local terms energy: -424.706633 where: bonds (distance) C4'-P energy: -83.849 bonds (distance) P-C4' energy: -89.156 flat angles C4'-P-C4' energy: -87.252 flat angles P-C4'-P energy: -70.539 tors. eta vs tors. theta energy: -93.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1184.629543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.629543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.629543 (E_RNA) where: Base-Base interactions energy: -795.160 where: short stacking energy: -339.605 Base-Backbone interact. energy: -0.303 local terms energy: -389.166101 where: bonds (distance) C4'-P energy: -58.656 bonds (distance) P-C4' energy: -86.933 flat angles C4'-P-C4' energy: -95.982 flat angles P-C4'-P energy: -54.678 tors. eta vs tors. theta energy: -92.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -737.996404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.996404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.996404 (E_RNA) where: Base-Base interactions energy: -409.979 where: short stacking energy: -183.169 Base-Backbone interact. energy: -3.249 local terms energy: -324.768368 where: bonds (distance) C4'-P energy: -84.727 bonds (distance) P-C4' energy: -91.028 flat angles C4'-P-C4' energy: -80.497 flat angles P-C4'-P energy: -48.067 tors. eta vs tors. theta energy: -20.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -562.890943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.890943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.890943 (E_RNA) where: Base-Base interactions energy: -283.124 where: short stacking energy: -169.845 Base-Backbone interact. energy: -0.570 local terms energy: -279.196722 where: bonds (distance) C4'-P energy: -69.746 bonds (distance) P-C4' energy: -70.963 flat angles C4'-P-C4' energy: -71.092 flat angles P-C4'-P energy: -46.891 tors. eta vs tors. theta energy: -20.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1786.533477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.533477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.533477 (E_RNA) where: Base-Base interactions energy: -1249.441 where: short stacking energy: -511.333 Base-Backbone interact. energy: -1.392 local terms energy: -535.700564 where: bonds (distance) C4'-P energy: -91.050 bonds (distance) P-C4' energy: -97.738 flat angles C4'-P-C4' energy: -105.159 flat angles P-C4'-P energy: -83.944 tors. eta vs tors. theta energy: -157.810 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: 2, replica: 3 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1768.946807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.946807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.946807 (E_RNA) where: Base-Base interactions energy: -1217.770 where: short stacking energy: -502.213 Base-Backbone interact. energy: -1.862 local terms energy: -549.313992 where: bonds (distance) C4'-P energy: -109.998 bonds (distance) P-C4' energy: -102.871 flat angles C4'-P-C4' energy: -106.734 flat angles P-C4'-P energy: -75.606 tors. eta vs tors. theta energy: -154.105 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: 3, replica: 6 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1628.949896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.949896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.949896 (E_RNA) where: Base-Base interactions energy: -1134.755 where: short stacking energy: -451.463 Base-Backbone interact. energy: 0.937 local terms energy: -495.131715 where: bonds (distance) C4'-P energy: -84.446 bonds (distance) P-C4' energy: -93.675 flat angles C4'-P-C4' energy: -107.991 flat angles P-C4'-P energy: -71.836 tors. eta vs tors. theta energy: -137.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1543.479140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.479140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.479140 (E_RNA) where: Base-Base interactions energy: -1056.781 where: short stacking energy: -434.933 Base-Backbone interact. energy: -1.470 local terms energy: -485.228655 where: bonds (distance) C4'-P energy: -82.126 bonds (distance) P-C4' energy: -90.833 flat angles C4'-P-C4' energy: -106.358 flat angles P-C4'-P energy: -69.809 tors. eta vs tors. theta energy: -136.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1513.076983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.076983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.076983 (E_RNA) where: Base-Base interactions energy: -1062.053 where: short stacking energy: -415.904 Base-Backbone interact. energy: 1.831 local terms energy: -452.854263 where: bonds (distance) C4'-P energy: -83.488 bonds (distance) P-C4' energy: -82.711 flat angles C4'-P-C4' energy: -101.784 flat angles P-C4'-P energy: -62.495 tors. eta vs tors. theta energy: -122.376 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: 7 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1429.098356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.098356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.098356 (E_RNA) where: Base-Base interactions energy: -1001.662 where: short stacking energy: -377.728 Base-Backbone interact. energy: -0.146 local terms energy: -427.290053 where: bonds (distance) C4'-P energy: -83.496 bonds (distance) P-C4' energy: -76.874 flat angles C4'-P-C4' energy: -101.578 flat angles P-C4'-P energy: -64.315 tors. eta vs tors. theta energy: -101.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1291.900553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.900553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.900553 (E_RNA) where: Base-Base interactions energy: -871.178 where: short stacking energy: -356.971 Base-Backbone interact. energy: -0.463 local terms energy: -420.259591 where: bonds (distance) C4'-P energy: -78.454 bonds (distance) P-C4' energy: -84.748 flat angles C4'-P-C4' energy: -92.968 flat angles P-C4'-P energy: -59.999 tors. eta vs tors. theta energy: -104.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1152.608630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.608630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.608630 (E_RNA) where: Base-Base interactions energy: -767.716 where: short stacking energy: -332.399 Base-Backbone interact. energy: 3.740 local terms energy: -388.632549 where: bonds (distance) C4'-P energy: -87.523 bonds (distance) P-C4' energy: -86.208 flat angles C4'-P-C4' energy: -87.014 flat angles P-C4'-P energy: -50.939 tors. eta vs tors. theta energy: -76.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -739.180320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.180320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.180320 (E_RNA) where: Base-Base interactions energy: -404.357 where: short stacking energy: -201.314 Base-Backbone interact. energy: -0.820 local terms energy: -334.002548 where: bonds (distance) C4'-P energy: -79.467 bonds (distance) P-C4' energy: -93.672 flat angles C4'-P-C4' energy: -80.017 flat angles P-C4'-P energy: -61.189 tors. eta vs tors. theta energy: -19.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -528.718755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.718755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.718755 (E_RNA) where: Base-Base interactions energy: -246.372 where: short stacking energy: -139.705 Base-Backbone interact. energy: 3.477 local terms energy: -285.823826 where: bonds (distance) C4'-P energy: -84.015 bonds (distance) P-C4' energy: -84.195 flat angles C4'-P-C4' energy: -68.213 flat angles P-C4'-P energy: -53.898 tors. eta vs tors. theta energy: 4.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1780.218479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.218479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.218479 (E_RNA) where: Base-Base interactions energy: -1244.694 where: short stacking energy: -525.479 Base-Backbone interact. energy: -0.828 local terms energy: -534.696464 where: bonds (distance) C4'-P energy: -97.821 bonds (distance) P-C4' energy: -89.913 flat angles C4'-P-C4' energy: -111.294 flat angles P-C4'-P energy: -73.039 tors. eta vs tors. theta energy: -162.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1756.472411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.472411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.472411 (E_RNA) where: Base-Base interactions energy: -1234.681 where: short stacking energy: -505.429 Base-Backbone interact. energy: 0.019 local terms energy: -521.809889 where: bonds (distance) C4'-P energy: -94.764 bonds (distance) P-C4' energy: -91.876 flat angles C4'-P-C4' energy: -108.236 flat angles P-C4'-P energy: -74.587 tors. eta vs tors. theta energy: -152.346 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: 3, replica: 6 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -1650.505191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.505191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.505191 (E_RNA) where: Base-Base interactions energy: -1148.900 where: short stacking energy: -460.183 Base-Backbone interact. energy: -0.193 local terms energy: -501.413075 where: bonds (distance) C4'-P energy: -84.034 bonds (distance) P-C4' energy: -97.074 flat angles C4'-P-C4' energy: -106.890 flat angles P-C4'-P energy: -79.763 tors. eta vs tors. theta energy: -133.652 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: 2 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1540.622328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.622328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.622328 (E_RNA) where: Base-Base interactions energy: -1063.790 where: short stacking energy: -424.361 Base-Backbone interact. energy: -2.836 local terms energy: -473.996098 where: bonds (distance) C4'-P energy: -80.137 bonds (distance) P-C4' energy: -97.290 flat angles C4'-P-C4' energy: -112.517 flat angles P-C4'-P energy: -63.241 tors. eta vs tors. theta energy: -120.812 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: 4 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1510.875854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.875854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.875854 (E_RNA) where: Base-Base interactions energy: -1040.516 where: short stacking energy: -408.078 Base-Backbone interact. energy: -2.151 local terms energy: -468.209098 where: bonds (distance) C4'-P energy: -86.526 bonds (distance) P-C4' energy: -91.406 flat angles C4'-P-C4' energy: -100.300 flat angles P-C4'-P energy: -70.803 tors. eta vs tors. theta energy: -119.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1397.965824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.965824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.965824 (E_RNA) where: Base-Base interactions energy: -972.361 where: short stacking energy: -384.682 Base-Backbone interact. energy: -3.592 local terms energy: -422.012207 where: bonds (distance) C4'-P energy: -77.507 bonds (distance) P-C4' energy: -85.849 flat angles C4'-P-C4' energy: -89.442 flat angles P-C4'-P energy: -67.026 tors. eta vs tors. theta energy: -102.188 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: 9 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1272.117984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.117984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.117984 (E_RNA) where: Base-Base interactions energy: -863.928 where: short stacking energy: -356.791 Base-Backbone interact. energy: 0.918 local terms energy: -409.108084 where: bonds (distance) C4'-P energy: -83.113 bonds (distance) P-C4' energy: -79.218 flat angles C4'-P-C4' energy: -90.276 flat angles P-C4'-P energy: -56.366 tors. eta vs tors. theta energy: -100.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1150.976611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.976611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.976611 (E_RNA) where: Base-Base interactions energy: -733.367 where: short stacking energy: -314.706 Base-Backbone interact. energy: -2.073 local terms energy: -415.536499 where: bonds (distance) C4'-P energy: -90.933 bonds (distance) P-C4' energy: -93.589 flat angles C4'-P-C4' energy: -85.092 flat angles P-C4'-P energy: -62.667 tors. eta vs tors. theta energy: -83.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -784.381864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.381864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.381864 (E_RNA) where: Base-Base interactions energy: -462.877 where: short stacking energy: -210.882 Base-Backbone interact. energy: 2.677 local terms energy: -324.181736 where: bonds (distance) C4'-P energy: -78.778 bonds (distance) P-C4' energy: -73.474 flat angles C4'-P-C4' energy: -78.138 flat angles P-C4'-P energy: -53.618 tors. eta vs tors. theta energy: -40.174 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: 114 Temperature: 1.350000 Total energy: -558.550311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.550311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.550311 (E_RNA) where: Base-Base interactions energy: -271.140 where: short stacking energy: -132.668 Base-Backbone interact. energy: -1.614 local terms energy: -285.796022 where: bonds (distance) C4'-P energy: -74.499 bonds (distance) P-C4' energy: -92.980 flat angles C4'-P-C4' energy: -69.420 flat angles P-C4'-P energy: -38.943 tors. eta vs tors. theta energy: -9.955 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: 1, replica: 3 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1793.561442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.561442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.561442 (E_RNA) where: Base-Base interactions energy: -1256.655 where: short stacking energy: -537.909 Base-Backbone interact. energy: -0.986 local terms energy: -535.920358 where: bonds (distance) C4'-P energy: -89.120 bonds (distance) P-C4' energy: -93.290 flat angles C4'-P-C4' energy: -115.710 flat angles P-C4'-P energy: -71.866 tors. eta vs tors. theta energy: -165.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1733.426638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.426638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.426638 (E_RNA) where: Base-Base interactions energy: -1206.381 where: short stacking energy: -490.887 Base-Backbone interact. energy: -0.349 local terms energy: -526.696852 where: bonds (distance) C4'-P energy: -96.281 bonds (distance) P-C4' energy: -87.126 flat angles C4'-P-C4' energy: -110.108 flat angles P-C4'-P energy: -82.483 tors. eta vs tors. theta energy: -150.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1631.204144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.204144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.204144 (E_RNA) where: Base-Base interactions energy: -1109.941 where: short stacking energy: -463.189 Base-Backbone interact. energy: -1.767 local terms energy: -519.496280 where: bonds (distance) C4'-P energy: -89.019 bonds (distance) P-C4' energy: -104.584 flat angles C4'-P-C4' energy: -115.263 flat angles P-C4'-P energy: -73.031 tors. eta vs tors. theta energy: -137.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1521.142252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.142252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.142252 (E_RNA) where: Base-Base interactions energy: -1039.483 where: short stacking energy: -406.783 Base-Backbone interact. energy: 0.836 local terms energy: -482.496030 where: bonds (distance) C4'-P energy: -88.994 bonds (distance) P-C4' energy: -91.956 flat angles C4'-P-C4' energy: -110.240 flat angles P-C4'-P energy: -72.703 tors. eta vs tors. theta energy: -118.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -1515.699110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.699110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.699110 (E_RNA) where: Base-Base interactions energy: -1054.363 where: short stacking energy: -426.203 Base-Backbone interact. energy: 0.888 local terms energy: -462.223696 where: bonds (distance) C4'-P energy: -74.173 bonds (distance) P-C4' energy: -102.985 flat angles C4'-P-C4' energy: -97.684 flat angles P-C4'-P energy: -64.103 tors. eta vs tors. theta energy: -123.279 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: 7 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1429.929647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.929647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.929647 (E_RNA) where: Base-Base interactions energy: -984.641 where: short stacking energy: -384.558 Base-Backbone interact. energy: -0.505 local terms energy: -444.782879 where: bonds (distance) C4'-P energy: -82.355 bonds (distance) P-C4' energy: -76.127 flat angles C4'-P-C4' energy: -92.487 flat angles P-C4'-P energy: -74.965 tors. eta vs tors. theta energy: -118.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1284.913160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.913160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.913160 (E_RNA) where: Base-Base interactions energy: -882.625 where: short stacking energy: -379.890 Base-Backbone interact. energy: 4.357 local terms energy: -406.645231 where: bonds (distance) C4'-P energy: -82.632 bonds (distance) P-C4' energy: -79.673 flat angles C4'-P-C4' energy: -79.875 flat angles P-C4'-P energy: -62.235 tors. eta vs tors. theta energy: -102.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1156.411045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.411045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.411045 (E_RNA) where: Base-Base interactions energy: -781.870 where: short stacking energy: -323.543 Base-Backbone interact. energy: -0.841 local terms energy: -373.700584 where: bonds (distance) C4'-P energy: -80.373 bonds (distance) P-C4' energy: -75.130 flat angles C4'-P-C4' energy: -80.509 flat angles P-C4'-P energy: -47.191 tors. eta vs tors. theta energy: -90.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -737.995625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.995625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.995625 (E_RNA) where: Base-Base interactions energy: -407.337 where: short stacking energy: -205.022 Base-Backbone interact. energy: -2.256 local terms energy: -328.402626 where: bonds (distance) C4'-P energy: -79.573 bonds (distance) P-C4' energy: -76.445 flat angles C4'-P-C4' energy: -80.947 flat angles P-C4'-P energy: -46.441 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: 10, replica: 8 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -541.003711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.003711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.003711 (E_RNA) where: Base-Base interactions energy: -271.699 where: short stacking energy: -144.651 Base-Backbone interact. energy: 5.147 local terms energy: -274.451816 where: bonds (distance) C4'-P energy: -76.312 bonds (distance) P-C4' energy: -83.642 flat angles C4'-P-C4' energy: -72.386 flat angles P-C4'-P energy: -42.189 tors. eta vs tors. theta energy: 0.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1774.084069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.084069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.084069 (E_RNA) where: Base-Base interactions energy: -1240.865 where: short stacking energy: -526.418 Base-Backbone interact. energy: 0.744 local terms energy: -533.963320 where: bonds (distance) C4'-P energy: -100.639 bonds (distance) P-C4' energy: -101.989 flat angles C4'-P-C4' energy: -109.551 flat angles P-C4'-P energy: -66.327 tors. eta vs tors. theta energy: -155.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1719.835381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.835381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.835381 (E_RNA) where: Base-Base interactions energy: -1179.462 where: short stacking energy: -467.052 Base-Backbone interact. energy: -3.137 local terms energy: -537.235538 where: bonds (distance) C4'-P energy: -89.097 bonds (distance) P-C4' energy: -100.635 flat angles C4'-P-C4' energy: -112.899 flat angles P-C4'-P energy: -85.042 tors. eta vs tors. theta energy: -149.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1636.815810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.815810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.815810 (E_RNA) where: Base-Base interactions energy: -1156.804 where: short stacking energy: -464.990 Base-Backbone interact. energy: -0.562 local terms energy: -479.449648 where: bonds (distance) C4'-P energy: -80.139 bonds (distance) P-C4' energy: -86.188 flat angles C4'-P-C4' energy: -103.490 flat angles P-C4'-P energy: -72.321 tors. eta vs tors. theta energy: -137.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1515.567847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.567847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.567847 (E_RNA) where: Base-Base interactions energy: -1044.301 where: short stacking energy: -429.895 Base-Backbone interact. energy: 6.134 local terms energy: -477.400445 where: bonds (distance) C4'-P energy: -103.686 bonds (distance) P-C4' energy: -87.562 flat angles C4'-P-C4' energy: -106.345 flat angles P-C4'-P energy: -61.182 tors. eta vs tors. theta energy: -118.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1480.331610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.331610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.331610 (E_RNA) where: Base-Base interactions energy: -1003.400 where: short stacking energy: -417.329 Base-Backbone interact. energy: -3.546 local terms energy: -473.385792 where: bonds (distance) C4'-P energy: -94.501 bonds (distance) P-C4' energy: -93.194 flat angles C4'-P-C4' energy: -90.150 flat angles P-C4'-P energy: -76.390 tors. eta vs tors. theta energy: -119.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1421.301865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.301865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.301865 (E_RNA) where: Base-Base interactions energy: -991.491 where: short stacking energy: -381.551 Base-Backbone interact. energy: -4.590 local terms energy: -425.220473 where: bonds (distance) C4'-P energy: -88.565 bonds (distance) P-C4' energy: -82.851 flat angles C4'-P-C4' energy: -82.349 flat angles P-C4'-P energy: -61.422 tors. eta vs tors. theta energy: -110.033 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: 9 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1298.574494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.574494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.574494 (E_RNA) where: Base-Base interactions energy: -869.241 where: short stacking energy: -361.369 Base-Backbone interact. energy: 1.035 local terms energy: -430.368995 where: bonds (distance) C4'-P energy: -101.142 bonds (distance) P-C4' energy: -82.127 flat angles C4'-P-C4' energy: -93.179 flat angles P-C4'-P energy: -61.150 tors. eta vs tors. theta energy: -92.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1181.161835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.161835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.161835 (E_RNA) where: Base-Base interactions energy: -810.592 where: short stacking energy: -336.420 Base-Backbone interact. energy: -0.675 local terms energy: -369.894954 where: bonds (distance) C4'-P energy: -79.984 bonds (distance) P-C4' energy: -77.281 flat angles C4'-P-C4' energy: -90.069 flat angles P-C4'-P energy: -35.716 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: 9, replica: 10 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -774.763290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.763290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.763290 (E_RNA) where: Base-Base interactions energy: -459.268 where: short stacking energy: -227.798 Base-Backbone interact. energy: 2.354 local terms energy: -317.849995 where: bonds (distance) C4'-P energy: -84.292 bonds (distance) P-C4' energy: -87.239 flat angles C4'-P-C4' energy: -72.989 flat angles P-C4'-P energy: -45.232 tors. eta vs tors. theta energy: -28.098 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: 116 Temperature: 1.350000 Total energy: -562.399278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.399278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.399278 (E_RNA) where: Base-Base interactions energy: -266.390 where: short stacking energy: -144.229 Base-Backbone interact. energy: -0.309 local terms energy: -295.700817 where: bonds (distance) C4'-P energy: -85.378 bonds (distance) P-C4' energy: -86.033 flat angles C4'-P-C4' energy: -71.962 flat angles P-C4'-P energy: -36.762 tors. eta vs tors. theta energy: -15.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1779.885225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.885225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.885225 (E_RNA) where: Base-Base interactions energy: -1239.262 where: short stacking energy: -519.276 Base-Backbone interact. energy: -2.064 local terms energy: -538.558309 where: bonds (distance) C4'-P energy: -99.025 bonds (distance) P-C4' energy: -86.289 flat angles C4'-P-C4' energy: -111.429 flat angles P-C4'-P energy: -86.654 tors. eta vs tors. theta energy: -155.162 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: 2, replica: 1 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1752.319462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.319462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.319462 (E_RNA) where: Base-Base interactions energy: -1210.468 where: short stacking energy: -480.641 Base-Backbone interact. energy: -0.344 local terms energy: -541.507869 where: bonds (distance) C4'-P energy: -104.259 bonds (distance) P-C4' energy: -98.160 flat angles C4'-P-C4' energy: -110.011 flat angles P-C4'-P energy: -80.121 tors. eta vs tors. theta energy: -148.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1635.761102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.761102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.761102 (E_RNA) where: Base-Base interactions energy: -1115.877 where: short stacking energy: -436.512 Base-Backbone interact. energy: -1.989 local terms energy: -517.895602 where: bonds (distance) C4'-P energy: -106.700 bonds (distance) P-C4' energy: -96.076 flat angles C4'-P-C4' energy: -109.525 flat angles P-C4'-P energy: -74.122 tors. eta vs tors. theta energy: -131.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1561.548228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.548228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.548228 (E_RNA) where: Base-Base interactions energy: -1093.021 where: short stacking energy: -426.640 Base-Backbone interact. energy: -1.855 local terms energy: -466.672298 where: bonds (distance) C4'-P energy: -92.364 bonds (distance) P-C4' energy: -84.647 flat angles C4'-P-C4' energy: -105.406 flat angles P-C4'-P energy: -73.119 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: 5, replica: 2 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1461.841866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.841866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.841866 (E_RNA) where: Base-Base interactions energy: -1012.480 where: short stacking energy: -403.836 Base-Backbone interact. energy: -0.677 local terms energy: -448.684992 where: bonds (distance) C4'-P energy: -100.451 bonds (distance) P-C4' energy: -79.124 flat angles C4'-P-C4' energy: -83.889 flat angles P-C4'-P energy: -70.821 tors. eta vs tors. theta energy: -114.400 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: 9 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1356.129790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.129790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.129790 (E_RNA) where: Base-Base interactions energy: -925.399 where: short stacking energy: -381.932 Base-Backbone interact. energy: 4.151 local terms energy: -434.882211 where: bonds (distance) C4'-P energy: -82.506 bonds (distance) P-C4' energy: -71.933 flat angles C4'-P-C4' energy: -105.068 flat angles P-C4'-P energy: -73.283 tors. eta vs tors. theta energy: -102.093 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: 7 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1357.909709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.909709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.909709 (E_RNA) where: Base-Base interactions energy: -936.002 where: short stacking energy: -352.785 Base-Backbone interact. energy: -4.854 local terms energy: -417.053778 where: bonds (distance) C4'-P energy: -85.256 bonds (distance) P-C4' energy: -72.438 flat angles C4'-P-C4' energy: -83.239 flat angles P-C4'-P energy: -71.465 tors. eta vs tors. theta energy: -104.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1147.586206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.586206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.586206 (E_RNA) where: Base-Base interactions energy: -782.361 where: short stacking energy: -314.955 Base-Backbone interact. energy: 0.819 local terms energy: -366.043938 where: bonds (distance) C4'-P energy: -75.322 bonds (distance) P-C4' energy: -88.310 flat angles C4'-P-C4' energy: -79.801 flat angles P-C4'-P energy: -56.188 tors. eta vs tors. theta energy: -66.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -667.707199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.707199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.707199 (E_RNA) where: Base-Base interactions energy: -382.147 where: short stacking energy: -179.600 Base-Backbone interact. energy: -1.244 local terms energy: -284.316900 where: bonds (distance) C4'-P energy: -81.922 bonds (distance) P-C4' energy: -79.480 flat angles C4'-P-C4' energy: -72.271 flat angles P-C4'-P energy: -41.930 tors. eta vs tors. theta energy: -8.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -597.016199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.016199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.016199 (E_RNA) where: Base-Base interactions energy: -318.916 where: short stacking energy: -173.877 Base-Backbone interact. energy: 3.301 local terms energy: -281.400330 where: bonds (distance) C4'-P energy: -73.506 bonds (distance) P-C4' energy: -83.070 flat angles C4'-P-C4' energy: -63.843 flat angles P-C4'-P energy: -38.036 tors. eta vs tors. theta energy: -22.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1793.513692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.513692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.513692 (E_RNA) where: Base-Base interactions energy: -1241.803 where: short stacking energy: -497.497 Base-Backbone interact. energy: -3.248 local terms energy: -548.462622 where: bonds (distance) C4'-P energy: -97.362 bonds (distance) P-C4' energy: -102.894 flat angles C4'-P-C4' energy: -107.397 flat angles P-C4'-P energy: -81.104 tors. eta vs tors. theta energy: -159.706 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: 3 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1739.277613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.277613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.277613 (E_RNA) where: Base-Base interactions energy: -1228.935 where: short stacking energy: -493.387 Base-Backbone interact. energy: -1.073 local terms energy: -509.269839 where: bonds (distance) C4'-P energy: -88.910 bonds (distance) P-C4' energy: -91.186 flat angles C4'-P-C4' energy: -112.178 flat angles P-C4'-P energy: -66.771 tors. eta vs tors. theta energy: -150.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1639.471556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.471556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.471556 (E_RNA) where: Base-Base interactions energy: -1148.941 where: short stacking energy: -477.156 Base-Backbone interact. energy: 0.420 local terms energy: -490.951450 where: bonds (distance) C4'-P energy: -83.970 bonds (distance) P-C4' energy: -89.898 flat angles C4'-P-C4' energy: -108.428 flat angles P-C4'-P energy: -65.815 tors. eta vs tors. theta energy: -142.841 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: 4 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1548.431620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.431620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.431620 (E_RNA) where: Base-Base interactions energy: -1094.397 where: short stacking energy: -435.117 Base-Backbone interact. energy: -3.491 local terms energy: -450.543601 where: bonds (distance) C4'-P energy: -83.064 bonds (distance) P-C4' energy: -88.723 flat angles C4'-P-C4' energy: -101.942 flat angles P-C4'-P energy: -60.687 tors. eta vs tors. theta energy: -116.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1428.973442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.973442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.973442 (E_RNA) where: Base-Base interactions energy: -966.669 where: short stacking energy: -403.015 Base-Backbone interact. energy: -0.804 local terms energy: -461.499757 where: bonds (distance) C4'-P energy: -97.133 bonds (distance) P-C4' energy: -83.061 flat angles C4'-P-C4' energy: -100.231 flat angles P-C4'-P energy: -63.303 tors. eta vs tors. theta energy: -117.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1352.839483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.839483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.839483 (E_RNA) where: Base-Base interactions energy: -918.951 where: short stacking energy: -383.264 Base-Backbone interact. energy: -1.462 local terms energy: -432.426887 where: bonds (distance) C4'-P energy: -86.928 bonds (distance) P-C4' energy: -85.802 flat angles C4'-P-C4' energy: -89.100 flat angles P-C4'-P energy: -67.667 tors. eta vs tors. theta energy: -102.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1358.903311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.903311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.903311 (E_RNA) where: Base-Base interactions energy: -943.285 where: short stacking energy: -347.888 Base-Backbone interact. energy: -0.480 local terms energy: -415.138153 where: bonds (distance) C4'-P energy: -84.509 bonds (distance) P-C4' energy: -102.462 flat angles C4'-P-C4' energy: -79.234 flat angles P-C4'-P energy: -46.776 tors. eta vs tors. theta energy: -102.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1160.061435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.061435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.061435 (E_RNA) where: Base-Base interactions energy: -770.562 where: short stacking energy: -330.363 Base-Backbone interact. energy: 0.712 local terms energy: -390.210877 where: bonds (distance) C4'-P energy: -70.410 bonds (distance) P-C4' energy: -91.468 flat angles C4'-P-C4' energy: -87.236 flat angles P-C4'-P energy: -57.997 tors. eta vs tors. theta energy: -83.100 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: 9, replica: 10 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -673.432804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.432804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.432804 (E_RNA) where: Base-Base interactions energy: -365.684 where: short stacking energy: -179.090 Base-Backbone interact. energy: 0.308 local terms energy: -308.056502 where: bonds (distance) C4'-P energy: -81.372 bonds (distance) P-C4' energy: -90.287 flat angles C4'-P-C4' energy: -79.690 flat angles P-C4'-P energy: -39.480 tors. eta vs tors. theta energy: -17.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -595.331262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.331262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.331262 (E_RNA) where: Base-Base interactions energy: -299.308 where: short stacking energy: -161.644 Base-Backbone interact. energy: -0.742 local terms energy: -295.280705 where: bonds (distance) C4'-P energy: -89.062 bonds (distance) P-C4' energy: -76.973 flat angles C4'-P-C4' energy: -66.322 flat angles P-C4'-P energy: -47.728 tors. eta vs tors. theta energy: -15.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1789.844707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.844707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.844707 (E_RNA) where: Base-Base interactions energy: -1244.328 where: short stacking energy: -486.032 Base-Backbone interact. energy: -1.078 local terms energy: -544.438862 where: bonds (distance) C4'-P energy: -96.754 bonds (distance) P-C4' energy: -92.955 flat angles C4'-P-C4' energy: -116.624 flat angles P-C4'-P energy: -88.521 tors. eta vs tors. theta energy: -149.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1740.733419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.733419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.733419 (E_RNA) where: Base-Base interactions energy: -1204.785 where: short stacking energy: -494.526 Base-Backbone interact. energy: -2.234 local terms energy: -533.714319 where: bonds (distance) C4'-P energy: -98.839 bonds (distance) P-C4' energy: -101.364 flat angles C4'-P-C4' energy: -106.410 flat angles P-C4'-P energy: -80.680 tors. eta vs tors. theta energy: -146.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1643.346158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.346158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.346158 (E_RNA) where: Base-Base interactions energy: -1150.698 where: short stacking energy: -449.102 Base-Backbone interact. energy: -2.366 local terms energy: -490.282263 where: bonds (distance) C4'-P energy: -95.017 bonds (distance) P-C4' energy: -96.626 flat angles C4'-P-C4' energy: -84.474 flat angles P-C4'-P energy: -73.377 tors. eta vs tors. theta energy: -140.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1559.995133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.995133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.995133 (E_RNA) where: Base-Base interactions energy: -1096.006 where: short stacking energy: -414.172 Base-Backbone interact. energy: -2.632 local terms energy: -461.357456 where: bonds (distance) C4'-P energy: -78.018 bonds (distance) P-C4' energy: -86.505 flat angles C4'-P-C4' energy: -103.253 flat angles P-C4'-P energy: -79.350 tors. eta vs tors. theta energy: -114.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1399.585642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.585642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.585642 (E_RNA) where: Base-Base interactions energy: -954.220 where: short stacking energy: -390.774 Base-Backbone interact. energy: -1.526 local terms energy: -443.839467 where: bonds (distance) C4'-P energy: -85.649 bonds (distance) P-C4' energy: -90.210 flat angles C4'-P-C4' energy: -94.928 flat angles P-C4'-P energy: -62.625 tors. eta vs tors. theta energy: -110.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1375.725487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.725487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.725487 (E_RNA) where: Base-Base interactions energy: -907.831 where: short stacking energy: -378.916 Base-Backbone interact. energy: -3.370 local terms energy: -464.524842 where: bonds (distance) C4'-P energy: -87.366 bonds (distance) P-C4' energy: -101.858 flat angles C4'-P-C4' energy: -99.874 flat angles P-C4'-P energy: -71.736 tors. eta vs tors. theta energy: -103.691 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: 7 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1430.798447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.798447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.798447 (E_RNA) where: Base-Base interactions energy: -1012.578 where: short stacking energy: -398.268 Base-Backbone interact. energy: -2.005 local terms energy: -416.215259 where: bonds (distance) C4'-P energy: -82.770 bonds (distance) P-C4' energy: -77.996 flat angles C4'-P-C4' energy: -99.345 flat angles P-C4'-P energy: -52.176 tors. eta vs tors. theta energy: -103.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1184.293939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.293939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.293939 (E_RNA) where: Base-Base interactions energy: -787.914 where: short stacking energy: -323.891 Base-Backbone interact. energy: 1.302 local terms energy: -397.681792 where: bonds (distance) C4'-P energy: -90.433 bonds (distance) P-C4' energy: -86.500 flat angles C4'-P-C4' energy: -76.473 flat angles P-C4'-P energy: -53.622 tors. eta vs tors. theta energy: -90.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -679.133963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.133963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.133963 (E_RNA) where: Base-Base interactions energy: -367.069 where: short stacking energy: -191.414 Base-Backbone interact. energy: -2.444 local terms energy: -309.621496 where: bonds (distance) C4'-P energy: -86.525 bonds (distance) P-C4' energy: -74.378 flat angles C4'-P-C4' energy: -71.201 flat angles P-C4'-P energy: -48.045 tors. eta vs tors. theta energy: -29.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -611.796750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.796750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.796750 (E_RNA) where: Base-Base interactions energy: -339.456 where: short stacking energy: -169.064 Base-Backbone interact. energy: 2.758 local terms energy: -275.098349 where: bonds (distance) C4'-P energy: -80.991 bonds (distance) P-C4' energy: -74.511 flat angles C4'-P-C4' energy: -64.772 flat angles P-C4'-P energy: -44.866 tors. eta vs tors. theta energy: -9.958 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: 3 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1776.829467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.829467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.829467 (E_RNA) where: Base-Base interactions energy: -1238.318 where: short stacking energy: -512.333 Base-Backbone interact. energy: -1.626 local terms energy: -536.885413 where: bonds (distance) C4'-P energy: -97.424 bonds (distance) P-C4' energy: -97.048 flat angles C4'-P-C4' energy: -111.638 flat angles P-C4'-P energy: -75.735 tors. eta vs tors. theta energy: -155.040 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: 1 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1763.507810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.507810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.507810 (E_RNA) where: Base-Base interactions energy: -1242.419 where: short stacking energy: -499.429 Base-Backbone interact. energy: -0.219 local terms energy: -520.869831 where: bonds (distance) C4'-P energy: -95.920 bonds (distance) P-C4' energy: -94.437 flat angles C4'-P-C4' energy: -109.115 flat angles P-C4'-P energy: -75.071 tors. eta vs tors. theta energy: -146.327 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: 3, replica: 6 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1653.633993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.633993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.633993 (E_RNA) where: Base-Base interactions energy: -1156.000 where: short stacking energy: -452.328 Base-Backbone interact. energy: -1.562 local terms energy: -496.072316 where: bonds (distance) C4'-P energy: -82.002 bonds (distance) P-C4' energy: -92.458 flat angles C4'-P-C4' energy: -107.552 flat angles P-C4'-P energy: -73.217 tors. eta vs tors. theta energy: -140.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1565.653869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.653869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.653869 (E_RNA) where: Base-Base interactions energy: -1083.873 where: short stacking energy: -426.754 Base-Backbone interact. energy: -1.114 local terms energy: -480.667043 where: bonds (distance) C4'-P energy: -97.328 bonds (distance) P-C4' energy: -93.240 flat angles C4'-P-C4' energy: -100.357 flat angles P-C4'-P energy: -71.628 tors. eta vs tors. theta energy: -118.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1381.237076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.237076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.237076 (E_RNA) where: Base-Base interactions energy: -927.396 where: short stacking energy: -391.680 Base-Backbone interact. energy: -4.468 local terms energy: -449.372923 where: bonds (distance) C4'-P energy: -92.990 bonds (distance) P-C4' energy: -96.613 flat angles C4'-P-C4' energy: -96.418 flat angles P-C4'-P energy: -59.040 tors. eta vs tors. theta energy: -104.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1370.800597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.800597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.800597 (E_RNA) where: Base-Base interactions energy: -920.376 where: short stacking energy: -396.956 Base-Backbone interact. energy: -0.542 local terms energy: -449.882870 where: bonds (distance) C4'-P energy: -79.838 bonds (distance) P-C4' energy: -87.247 flat angles C4'-P-C4' energy: -95.664 flat angles P-C4'-P energy: -69.191 tors. eta vs tors. theta energy: -117.943 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: 7 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1351.796086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.796086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.796086 (E_RNA) where: Base-Base interactions energy: -947.112 where: short stacking energy: -349.362 Base-Backbone interact. energy: -1.090 local terms energy: -403.594144 where: bonds (distance) C4'-P energy: -80.505 bonds (distance) P-C4' energy: -87.659 flat angles C4'-P-C4' energy: -86.141 flat angles P-C4'-P energy: -56.806 tors. eta vs tors. theta energy: -92.484 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: 8, replica: 5 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1224.056946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.056946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.056946 (E_RNA) where: Base-Base interactions energy: -833.733 where: short stacking energy: -358.845 Base-Backbone interact. energy: -1.044 local terms energy: -389.279804 where: bonds (distance) C4'-P energy: -72.930 bonds (distance) P-C4' energy: -76.265 flat angles C4'-P-C4' energy: -90.377 flat angles P-C4'-P energy: -58.475 tors. eta vs tors. theta energy: -91.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -708.341439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.341439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.341439 (E_RNA) where: Base-Base interactions energy: -381.739 where: short stacking energy: -204.064 Base-Backbone interact. energy: 2.853 local terms energy: -329.455163 where: bonds (distance) C4'-P energy: -84.201 bonds (distance) P-C4' energy: -92.563 flat angles C4'-P-C4' energy: -84.725 flat angles P-C4'-P energy: -35.835 tors. eta vs tors. theta energy: -32.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -494.336039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.336039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.336039 (E_RNA) where: Base-Base interactions energy: -229.340 where: short stacking energy: -138.334 Base-Backbone interact. energy: -2.112 local terms energy: -262.884122 where: bonds (distance) C4'-P energy: -63.406 bonds (distance) P-C4' energy: -70.158 flat angles C4'-P-C4' energy: -77.650 flat angles P-C4'-P energy: -47.393 tors. eta vs tors. theta energy: -4.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1772.269596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.269596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.269596 (E_RNA) where: Base-Base interactions energy: -1227.464 where: short stacking energy: -502.217 Base-Backbone interact. energy: -0.855 local terms energy: -543.950163 where: bonds (distance) C4'-P energy: -93.488 bonds (distance) P-C4' energy: -102.948 flat angles C4'-P-C4' energy: -117.643 flat angles P-C4'-P energy: -76.520 tors. eta vs tors. theta energy: -153.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1732.818156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.818156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.818156 (E_RNA) where: Base-Base interactions energy: -1214.230 where: short stacking energy: -474.089 Base-Backbone interact. energy: -3.207 local terms energy: -515.380774 where: bonds (distance) C4'-P energy: -96.199 bonds (distance) P-C4' energy: -88.496 flat angles C4'-P-C4' energy: -112.457 flat angles P-C4'-P energy: -65.983 tors. eta vs tors. theta energy: -152.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1676.664317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.664317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.664317 (E_RNA) where: Base-Base interactions energy: -1165.938 where: short stacking energy: -479.321 Base-Backbone interact. energy: 3.520 local terms energy: -514.246088 where: bonds (distance) C4'-P energy: -86.581 bonds (distance) P-C4' energy: -101.273 flat angles C4'-P-C4' energy: -99.006 flat angles P-C4'-P energy: -71.782 tors. eta vs tors. theta energy: -155.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1574.337162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.337162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.337162 (E_RNA) where: Base-Base interactions energy: -1102.702 where: short stacking energy: -442.530 Base-Backbone interact. energy: -2.098 local terms energy: -469.537219 where: bonds (distance) C4'-P energy: -90.007 bonds (distance) P-C4' energy: -88.146 flat angles C4'-P-C4' energy: -107.651 flat angles P-C4'-P energy: -62.243 tors. eta vs tors. theta energy: -121.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1352.291332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.291332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.291332 (E_RNA) where: Base-Base interactions energy: -899.566 where: short stacking energy: -376.701 Base-Backbone interact. energy: 0.791 local terms energy: -453.516563 where: bonds (distance) C4'-P energy: -86.910 bonds (distance) P-C4' energy: -88.511 flat angles C4'-P-C4' energy: -93.088 flat angles P-C4'-P energy: -70.446 tors. eta vs tors. theta energy: -114.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1353.636766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.636766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.636766 (E_RNA) where: Base-Base interactions energy: -904.802 where: short stacking energy: -382.976 Base-Backbone interact. energy: -1.644 local terms energy: -447.190577 where: bonds (distance) C4'-P energy: -92.820 bonds (distance) P-C4' energy: -89.644 flat angles C4'-P-C4' energy: -92.195 flat angles P-C4'-P energy: -62.368 tors. eta vs tors. theta energy: -110.163 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: 7 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1364.838721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.838721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.838721 (E_RNA) where: Base-Base interactions energy: -950.483 where: short stacking energy: -373.874 Base-Backbone interact. energy: 3.492 local terms energy: -417.847426 where: bonds (distance) C4'-P energy: -77.314 bonds (distance) P-C4' energy: -79.155 flat angles C4'-P-C4' energy: -94.370 flat angles P-C4'-P energy: -65.055 tors. eta vs tors. theta energy: -101.954 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: 5 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1193.735026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.735026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.735026 (E_RNA) where: Base-Base interactions energy: -801.579 where: short stacking energy: -336.736 Base-Backbone interact. energy: 1.176 local terms energy: -393.332700 where: bonds (distance) C4'-P energy: -86.102 bonds (distance) P-C4' energy: -85.240 flat angles C4'-P-C4' energy: -76.088 flat angles P-C4'-P energy: -51.470 tors. eta vs tors. theta energy: -94.433 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: 10 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -658.635039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.635039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.635039 (E_RNA) where: Base-Base interactions energy: -391.895 where: short stacking energy: -195.777 Base-Backbone interact. energy: -0.860 local terms energy: -265.879565 where: bonds (distance) C4'-P energy: -69.014 bonds (distance) P-C4' energy: -77.655 flat angles C4'-P-C4' energy: -62.675 flat angles P-C4'-P energy: -39.110 tors. eta vs tors. theta energy: -17.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -546.013129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.013129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.013129 (E_RNA) where: Base-Base interactions energy: -267.738 where: short stacking energy: -168.276 Base-Backbone interact. energy: 1.443 local terms energy: -279.718330 where: bonds (distance) C4'-P energy: -72.913 bonds (distance) P-C4' energy: -77.360 flat angles C4'-P-C4' energy: -66.959 flat angles P-C4'-P energy: -40.903 tors. eta vs tors. theta energy: -21.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1764.853998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.853998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.853998 (E_RNA) where: Base-Base interactions energy: -1249.372 where: short stacking energy: -513.229 Base-Backbone interact. energy: -0.040 local terms energy: -515.442474 where: bonds (distance) C4'-P energy: -86.715 bonds (distance) P-C4' energy: -89.551 flat angles C4'-P-C4' energy: -110.754 flat angles P-C4'-P energy: -74.272 tors. eta vs tors. theta energy: -154.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1733.207925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.207925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.207925 (E_RNA) where: Base-Base interactions energy: -1212.156 where: short stacking energy: -480.673 Base-Backbone interact. energy: -1.260 local terms energy: -519.791308 where: bonds (distance) C4'-P energy: -103.726 bonds (distance) P-C4' energy: -89.700 flat angles C4'-P-C4' energy: -106.879 flat angles P-C4'-P energy: -76.652 tors. eta vs tors. theta energy: -142.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1699.468895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.468895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.468895 (E_RNA) where: Base-Base interactions energy: -1178.584 where: short stacking energy: -482.588 Base-Backbone interact. energy: -0.012 local terms energy: -520.873012 where: bonds (distance) C4'-P energy: -95.979 bonds (distance) P-C4' energy: -94.120 flat angles C4'-P-C4' energy: -99.916 flat angles P-C4'-P energy: -79.927 tors. eta vs tors. theta energy: -150.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1558.142545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.142545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.142545 (E_RNA) where: Base-Base interactions energy: -1113.209 where: short stacking energy: -433.735 Base-Backbone interact. energy: -2.622 local terms energy: -442.311045 where: bonds (distance) C4'-P energy: -73.400 bonds (distance) P-C4' energy: -91.450 flat angles C4'-P-C4' energy: -97.268 flat angles P-C4'-P energy: -61.239 tors. eta vs tors. theta energy: -118.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1360.938629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.938629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.938629 (E_RNA) where: Base-Base interactions energy: -929.328 where: short stacking energy: -386.786 Base-Backbone interact. energy: 2.887 local terms energy: -434.498316 where: bonds (distance) C4'-P energy: -83.216 bonds (distance) P-C4' energy: -77.472 flat angles C4'-P-C4' energy: -101.974 flat angles P-C4'-P energy: -64.476 tors. eta vs tors. theta energy: -107.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1349.457199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.457199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.457199 (E_RNA) where: Base-Base interactions energy: -928.852 where: short stacking energy: -402.705 Base-Backbone interact. energy: -1.488 local terms energy: -419.117268 where: bonds (distance) C4'-P energy: -77.548 bonds (distance) P-C4' energy: -86.674 flat angles C4'-P-C4' energy: -95.452 flat angles P-C4'-P energy: -52.140 tors. eta vs tors. theta energy: -107.303 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: 7, replica: 7 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1393.579179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.579179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.579179 (E_RNA) where: Base-Base interactions energy: -964.923 where: short stacking energy: -382.920 Base-Backbone interact. energy: -3.185 local terms energy: -425.471112 where: bonds (distance) C4'-P energy: -86.368 bonds (distance) P-C4' energy: -87.039 flat angles C4'-P-C4' energy: -84.854 flat angles P-C4'-P energy: -53.040 tors. eta vs tors. theta energy: -114.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1200.275884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.275884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.275884 (E_RNA) where: Base-Base interactions energy: -787.665 where: short stacking energy: -325.464 Base-Backbone interact. energy: 0.245 local terms energy: -412.856044 where: bonds (distance) C4'-P energy: -90.829 bonds (distance) P-C4' energy: -84.811 flat angles C4'-P-C4' energy: -85.725 flat angles P-C4'-P energy: -59.386 tors. eta vs tors. theta energy: -92.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -755.320320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.320320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.320320 (E_RNA) where: Base-Base interactions energy: -446.779 where: short stacking energy: -222.789 Base-Backbone interact. energy: -2.467 local terms energy: -306.074926 where: bonds (distance) C4'-P energy: -81.178 bonds (distance) P-C4' energy: -82.343 flat angles C4'-P-C4' energy: -76.391 flat angles P-C4'-P energy: -32.415 tors. eta vs tors. theta energy: -33.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -552.563601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.563601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.563601 (E_RNA) where: Base-Base interactions energy: -269.829 where: short stacking energy: -147.907 Base-Backbone interact. energy: -0.474 local terms energy: -282.261199 where: bonds (distance) C4'-P energy: -74.670 bonds (distance) P-C4' energy: -68.252 flat angles C4'-P-C4' energy: -78.600 flat angles P-C4'-P energy: -49.424 tors. eta vs tors. theta energy: -11.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1787.052242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.052242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.052242 (E_RNA) where: Base-Base interactions energy: -1245.563 where: short stacking energy: -522.167 Base-Backbone interact. energy: -0.881 local terms energy: -540.609023 where: bonds (distance) C4'-P energy: -92.971 bonds (distance) P-C4' energy: -95.988 flat angles C4'-P-C4' energy: -116.690 flat angles P-C4'-P energy: -75.314 tors. eta vs tors. theta energy: -159.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1710.134247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.134247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.134247 (E_RNA) where: Base-Base interactions energy: -1198.457 where: short stacking energy: -453.985 Base-Backbone interact. energy: -1.732 local terms energy: -509.945301 where: bonds (distance) C4'-P energy: -94.030 bonds (distance) P-C4' energy: -91.664 flat angles C4'-P-C4' energy: -106.257 flat angles P-C4'-P energy: -77.444 tors. eta vs tors. theta energy: -140.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1659.026432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.026432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.026432 (E_RNA) where: Base-Base interactions energy: -1174.228 where: short stacking energy: -467.236 Base-Backbone interact. energy: 1.748 local terms energy: -486.546462 where: bonds (distance) C4'-P energy: -77.733 bonds (distance) P-C4' energy: -88.512 flat angles C4'-P-C4' energy: -96.297 flat angles P-C4'-P energy: -79.313 tors. eta vs tors. theta energy: -144.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1538.075031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.075031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.075031 (E_RNA) where: Base-Base interactions energy: -1071.130 where: short stacking energy: -430.493 Base-Backbone interact. energy: -0.355 local terms energy: -466.589775 where: bonds (distance) C4'-P energy: -86.651 bonds (distance) P-C4' energy: -90.843 flat angles C4'-P-C4' energy: -105.575 flat angles P-C4'-P energy: -71.173 tors. eta vs tors. theta energy: -112.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1381.746728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.746728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.746728 (E_RNA) where: Base-Base interactions energy: -936.329 where: short stacking energy: -380.241 Base-Backbone interact. energy: -4.016 local terms energy: -441.401827 where: bonds (distance) C4'-P energy: -94.434 bonds (distance) P-C4' energy: -85.666 flat angles C4'-P-C4' energy: -93.482 flat angles P-C4'-P energy: -63.353 tors. eta vs tors. theta energy: -104.467 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: 7 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1401.842231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.842231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.842231 (E_RNA) where: Base-Base interactions energy: -962.495 where: short stacking energy: -378.918 Base-Backbone interact. energy: 0.501 local terms energy: -439.847651 where: bonds (distance) C4'-P energy: -84.445 bonds (distance) P-C4' energy: -82.981 flat angles C4'-P-C4' energy: -106.398 flat angles P-C4'-P energy: -56.832 tors. eta vs tors. theta energy: -109.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1328.231981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.231981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.231981 (E_RNA) where: Base-Base interactions energy: -910.375 where: short stacking energy: -360.241 Base-Backbone interact. energy: -1.078 local terms energy: -416.778539 where: bonds (distance) C4'-P energy: -54.281 bonds (distance) P-C4' energy: -92.118 flat angles C4'-P-C4' energy: -97.051 flat angles P-C4'-P energy: -65.575 tors. eta vs tors. theta energy: -107.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1184.025787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.025787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.025787 (E_RNA) where: Base-Base interactions energy: -814.644 where: short stacking energy: -337.811 Base-Backbone interact. energy: 0.733 local terms energy: -370.114654 where: bonds (distance) C4'-P energy: -74.452 bonds (distance) P-C4' energy: -58.264 flat angles C4'-P-C4' energy: -82.082 flat angles P-C4'-P energy: -69.780 tors. eta vs tors. theta energy: -85.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -748.843263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.843263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.843263 (E_RNA) where: Base-Base interactions energy: -431.674 where: short stacking energy: -197.508 Base-Backbone interact. energy: -0.820 local terms energy: -316.349450 where: bonds (distance) C4'-P energy: -85.067 bonds (distance) P-C4' energy: -83.664 flat angles C4'-P-C4' energy: -66.331 flat angles P-C4'-P energy: -52.701 tors. eta vs tors. theta energy: -28.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -616.709115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.709115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.709115 (E_RNA) where: Base-Base interactions energy: -333.346 where: short stacking energy: -170.619 Base-Backbone interact. energy: 1.656 local terms energy: -285.018825 where: bonds (distance) C4'-P energy: -80.755 bonds (distance) P-C4' energy: -95.996 flat angles C4'-P-C4' energy: -68.022 flat angles P-C4'-P energy: -38.712 tors. eta vs tors. theta energy: -1.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1781.982226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.982226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.982226 (E_RNA) where: Base-Base interactions energy: -1251.486 where: short stacking energy: -507.260 Base-Backbone interact. energy: -1.393 local terms energy: -529.103289 where: bonds (distance) C4'-P energy: -91.602 bonds (distance) P-C4' energy: -91.753 flat angles C4'-P-C4' energy: -119.278 flat angles P-C4'-P energy: -79.112 tors. eta vs tors. theta energy: -147.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1727.525071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.525071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.525071 (E_RNA) where: Base-Base interactions energy: -1219.060 where: short stacking energy: -521.765 Base-Backbone interact. energy: -2.018 local terms energy: -506.446496 where: bonds (distance) C4'-P energy: -94.398 bonds (distance) P-C4' energy: -81.253 flat angles C4'-P-C4' energy: -99.925 flat angles P-C4'-P energy: -75.196 tors. eta vs tors. theta energy: -155.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1651.620202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.620202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.620202 (E_RNA) where: Base-Base interactions energy: -1151.608 where: short stacking energy: -443.178 Base-Backbone interact. energy: -0.836 local terms energy: -499.176054 where: bonds (distance) C4'-P energy: -90.432 bonds (distance) P-C4' energy: -101.463 flat angles C4'-P-C4' energy: -107.346 flat angles P-C4'-P energy: -63.251 tors. eta vs tors. theta energy: -136.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1576.367671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.367671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.367671 (E_RNA) where: Base-Base interactions energy: -1106.536 where: short stacking energy: -429.184 Base-Backbone interact. energy: -4.560 local terms energy: -465.271615 where: bonds (distance) C4'-P energy: -98.099 bonds (distance) P-C4' energy: -80.219 flat angles C4'-P-C4' energy: -94.677 flat angles P-C4'-P energy: -59.405 tors. eta vs tors. theta energy: -132.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1365.096279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.096279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.096279 (E_RNA) where: Base-Base interactions energy: -938.955 where: short stacking energy: -387.395 Base-Backbone interact. energy: -3.236 local terms energy: -422.905277 where: bonds (distance) C4'-P energy: -73.491 bonds (distance) P-C4' energy: -63.948 flat angles C4'-P-C4' energy: -105.611 flat angles P-C4'-P energy: -62.628 tors. eta vs tors. theta energy: -117.227 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: 7 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1362.885732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.885732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.885732 (E_RNA) where: Base-Base interactions energy: -968.763 where: short stacking energy: -378.867 Base-Backbone interact. energy: -1.634 local terms energy: -392.489279 where: bonds (distance) C4'-P energy: -55.304 bonds (distance) P-C4' energy: -81.530 flat angles C4'-P-C4' energy: -93.650 flat angles P-C4'-P energy: -62.230 tors. eta vs tors. theta energy: -99.776 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: 9 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1289.048116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.048116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.048116 (E_RNA) where: Base-Base interactions energy: -865.156 where: short stacking energy: -348.268 Base-Backbone interact. energy: -1.018 local terms energy: -422.874405 where: bonds (distance) C4'-P energy: -84.230 bonds (distance) P-C4' energy: -85.228 flat angles C4'-P-C4' energy: -88.884 flat angles P-C4'-P energy: -59.858 tors. eta vs tors. theta energy: -104.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1194.228893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.228893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.228893 (E_RNA) where: Base-Base interactions energy: -800.434 where: short stacking energy: -327.297 Base-Backbone interact. energy: -1.383 local terms energy: -392.412173 where: bonds (distance) C4'-P energy: -82.461 bonds (distance) P-C4' energy: -83.782 flat angles C4'-P-C4' energy: -84.549 flat angles P-C4'-P energy: -56.585 tors. eta vs tors. theta energy: -85.035 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: 10 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -716.038678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.038678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.038678 (E_RNA) where: Base-Base interactions energy: -421.155 where: short stacking energy: -197.644 Base-Backbone interact. energy: 3.666 local terms energy: -298.549636 where: bonds (distance) C4'-P energy: -59.852 bonds (distance) P-C4' energy: -91.098 flat angles C4'-P-C4' energy: -76.225 flat angles P-C4'-P energy: -49.732 tors. eta vs tors. theta energy: -21.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -593.212553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.212553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.212553 (E_RNA) where: Base-Base interactions energy: -317.680 where: short stacking energy: -156.793 Base-Backbone interact. energy: 0.485 local terms energy: -276.016896 where: bonds (distance) C4'-P energy: -69.783 bonds (distance) P-C4' energy: -77.506 flat angles C4'-P-C4' energy: -70.517 flat angles P-C4'-P energy: -52.440 tors. eta vs tors. theta energy: -5.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1775.006400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.006400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.006400 (E_RNA) where: Base-Base interactions energy: -1234.333 where: short stacking energy: -496.526 Base-Backbone interact. energy: 0.336 local terms energy: -541.009923 where: bonds (distance) C4'-P energy: -104.166 bonds (distance) P-C4' energy: -105.080 flat angles C4'-P-C4' energy: -111.708 flat angles P-C4'-P energy: -68.234 tors. eta vs tors. theta energy: -151.821 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: 3 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1745.731813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.731813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.731813 (E_RNA) where: Base-Base interactions energy: -1220.861 where: short stacking energy: -505.082 Base-Backbone interact. energy: -0.956 local terms energy: -523.914561 where: bonds (distance) C4'-P energy: -98.529 bonds (distance) P-C4' energy: -93.796 flat angles C4'-P-C4' energy: -98.514 flat angles P-C4'-P energy: -81.352 tors. eta vs tors. theta energy: -151.724 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: 6 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1687.158743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.158743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.158743 (E_RNA) where: Base-Base interactions energy: -1170.298 where: short stacking energy: -480.289 Base-Backbone interact. energy: -1.133 local terms energy: -515.727928 where: bonds (distance) C4'-P energy: -95.139 bonds (distance) P-C4' energy: -96.649 flat angles C4'-P-C4' energy: -113.955 flat angles P-C4'-P energy: -68.332 tors. eta vs tors. theta energy: -141.654 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: 4 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1605.288465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.288465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.288465 (E_RNA) where: Base-Base interactions energy: -1117.392 where: short stacking energy: -454.036 Base-Backbone interact. energy: -0.247 local terms energy: -487.649543 where: bonds (distance) C4'-P energy: -98.650 bonds (distance) P-C4' energy: -81.656 flat angles C4'-P-C4' energy: -105.905 flat angles P-C4'-P energy: -73.693 tors. eta vs tors. theta energy: -127.744 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: 5, replica: 2 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1333.255822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.255822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.255822 (E_RNA) where: Base-Base interactions energy: -884.703 where: short stacking energy: -367.860 Base-Backbone interact. energy: -0.873 local terms energy: -447.679629 where: bonds (distance) C4'-P energy: -88.862 bonds (distance) P-C4' energy: -88.516 flat angles C4'-P-C4' energy: -93.873 flat angles P-C4'-P energy: -69.940 tors. eta vs tors. theta energy: -106.488 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: 9 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1360.933773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.933773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.933773 (E_RNA) where: Base-Base interactions energy: -929.227 where: short stacking energy: -400.993 Base-Backbone interact. energy: -0.929 local terms energy: -430.778296 where: bonds (distance) C4'-P energy: -75.553 bonds (distance) P-C4' energy: -67.442 flat angles C4'-P-C4' energy: -103.195 flat angles P-C4'-P energy: -65.453 tors. eta vs tors. theta energy: -119.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1336.035240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.035240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.035240 (E_RNA) where: Base-Base interactions energy: -928.361 where: short stacking energy: -381.152 Base-Backbone interact. energy: 0.302 local terms energy: -407.976389 where: bonds (distance) C4'-P energy: -66.701 bonds (distance) P-C4' energy: -95.719 flat angles C4'-P-C4' energy: -95.013 flat angles P-C4'-P energy: -50.893 tors. eta vs tors. theta energy: -99.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1163.903691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.903691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.903691 (E_RNA) where: Base-Base interactions energy: -750.995 where: short stacking energy: -317.331 Base-Backbone interact. energy: -0.123 local terms energy: -412.785657 where: bonds (distance) C4'-P energy: -86.534 bonds (distance) P-C4' energy: -101.023 flat angles C4'-P-C4' energy: -91.357 flat angles P-C4'-P energy: -59.708 tors. eta vs tors. theta energy: -74.164 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: 10 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -700.526881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.526881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.526881 (E_RNA) where: Base-Base interactions energy: -404.168 where: short stacking energy: -198.054 Base-Backbone interact. energy: 1.705 local terms energy: -298.064077 where: bonds (distance) C4'-P energy: -70.710 bonds (distance) P-C4' energy: -76.094 flat angles C4'-P-C4' energy: -81.417 flat angles P-C4'-P energy: -40.489 tors. eta vs tors. theta energy: -29.355 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: 125 Temperature: 1.350000 Total energy: -626.575772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.575772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.575772 (E_RNA) where: Base-Base interactions energy: -360.515 where: short stacking energy: -177.652 Base-Backbone interact. energy: -0.962 local terms energy: -265.098614 where: bonds (distance) C4'-P energy: -80.166 bonds (distance) P-C4' energy: -83.405 flat angles C4'-P-C4' energy: -59.383 flat angles P-C4'-P energy: -30.462 tors. eta vs tors. theta energy: -11.683 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: 1, replica: 3 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1764.827816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.827816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.827816 (E_RNA) where: Base-Base interactions energy: -1226.821 where: short stacking energy: -497.870 Base-Backbone interact. energy: -1.667 local terms energy: -536.339540 where: bonds (distance) C4'-P energy: -99.554 bonds (distance) P-C4' energy: -93.350 flat angles C4'-P-C4' energy: -109.592 flat angles P-C4'-P energy: -81.003 tors. eta vs tors. theta energy: -152.840 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: 2, replica: 1 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1772.604933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.604933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.604933 (E_RNA) where: Base-Base interactions energy: -1252.238 where: short stacking energy: -480.252 Base-Backbone interact. energy: -3.644 local terms energy: -516.722184 where: bonds (distance) C4'-P energy: -89.213 bonds (distance) P-C4' energy: -92.753 flat angles C4'-P-C4' energy: -109.692 flat angles P-C4'-P energy: -77.063 tors. eta vs tors. theta energy: -148.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1678.242225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.242225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.242225 (E_RNA) where: Base-Base interactions energy: -1179.708 where: short stacking energy: -464.642 Base-Backbone interact. energy: 1.103 local terms energy: -499.636423 where: bonds (distance) C4'-P energy: -97.913 bonds (distance) P-C4' energy: -93.776 flat angles C4'-P-C4' energy: -93.629 flat angles P-C4'-P energy: -63.807 tors. eta vs tors. theta energy: -150.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1606.863039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.863039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.863039 (E_RNA) where: Base-Base interactions energy: -1151.874 where: short stacking energy: -451.295 Base-Backbone interact. energy: -3.560 local terms energy: -451.428810 where: bonds (distance) C4'-P energy: -81.973 bonds (distance) P-C4' energy: -74.159 flat angles C4'-P-C4' energy: -108.557 flat angles P-C4'-P energy: -65.716 tors. eta vs tors. theta energy: -121.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1373.057184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.057184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.057184 (E_RNA) where: Base-Base interactions energy: -925.329 where: short stacking energy: -392.295 Base-Backbone interact. energy: 3.713 local terms energy: -451.441491 where: bonds (distance) C4'-P energy: -89.783 bonds (distance) P-C4' energy: -77.593 flat angles C4'-P-C4' energy: -101.639 flat angles P-C4'-P energy: -72.174 tors. eta vs tors. theta energy: -110.252 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: 6, replica: 2 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1279.009905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.009905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.009905 (E_RNA) where: Base-Base interactions energy: -876.973 where: short stacking energy: -382.006 Base-Backbone interact. energy: -0.871 local terms energy: -401.165204 where: bonds (distance) C4'-P energy: -68.901 bonds (distance) P-C4' energy: -78.957 flat angles C4'-P-C4' energy: -82.039 flat angles P-C4'-P energy: -67.251 tors. eta vs tors. theta energy: -104.018 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: 7 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1298.766274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.766274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.766274 (E_RNA) where: Base-Base interactions energy: -886.974 where: short stacking energy: -349.894 Base-Backbone interact. energy: 3.014 local terms energy: -414.805470 where: bonds (distance) C4'-P energy: -68.537 bonds (distance) P-C4' energy: -92.381 flat angles C4'-P-C4' energy: -104.193 flat angles P-C4'-P energy: -57.839 tors. eta vs tors. theta energy: -91.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1189.608760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.608760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.608760 (E_RNA) where: Base-Base interactions energy: -797.908 where: short stacking energy: -339.794 Base-Backbone interact. energy: -1.505 local terms energy: -390.195233 where: bonds (distance) C4'-P energy: -70.040 bonds (distance) P-C4' energy: -82.150 flat angles C4'-P-C4' energy: -87.911 flat angles P-C4'-P energy: -57.642 tors. eta vs tors. theta energy: -92.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -726.320836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.320836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.320836 (E_RNA) where: Base-Base interactions energy: -404.423 where: short stacking energy: -189.770 Base-Backbone interact. energy: -2.223 local terms energy: -319.674389 where: bonds (distance) C4'-P energy: -89.046 bonds (distance) P-C4' energy: -76.974 flat angles C4'-P-C4' energy: -72.293 flat angles P-C4'-P energy: -54.867 tors. eta vs tors. theta energy: -26.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -628.202521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.202521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.202521 (E_RNA) where: Base-Base interactions energy: -343.881 where: short stacking energy: -180.629 Base-Backbone interact. energy: 2.289 local terms energy: -286.610029 where: bonds (distance) C4'-P energy: -66.993 bonds (distance) P-C4' energy: -83.517 flat angles C4'-P-C4' energy: -83.461 flat angles P-C4'-P energy: -41.924 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: 3 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1774.601937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.601937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.601937 (E_RNA) where: Base-Base interactions energy: -1235.180 where: short stacking energy: -512.842 Base-Backbone interact. energy: -1.045 local terms energy: -538.376265 where: bonds (distance) C4'-P energy: -85.002 bonds (distance) P-C4' energy: -103.569 flat angles C4'-P-C4' energy: -109.840 flat angles P-C4'-P energy: -85.161 tors. eta vs tors. theta energy: -154.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1752.993524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.993524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.993524 (E_RNA) where: Base-Base interactions energy: -1216.129 where: short stacking energy: -478.197 Base-Backbone interact. energy: -1.238 local terms energy: -535.627028 where: bonds (distance) C4'-P energy: -99.120 bonds (distance) P-C4' energy: -100.470 flat angles C4'-P-C4' energy: -114.800 flat angles P-C4'-P energy: -75.278 tors. eta vs tors. theta energy: -145.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1661.342505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.342505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.342505 (E_RNA) where: Base-Base interactions energy: -1158.255 where: short stacking energy: -485.568 Base-Backbone interact. energy: -1.034 local terms energy: -502.053314 where: bonds (distance) C4'-P energy: -84.791 bonds (distance) P-C4' energy: -100.444 flat angles C4'-P-C4' energy: -107.382 flat angles P-C4'-P energy: -63.726 tors. eta vs tors. theta energy: -145.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1599.223885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.223885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.223885 (E_RNA) where: Base-Base interactions energy: -1103.605 where: short stacking energy: -431.095 Base-Backbone interact. energy: -3.179 local terms energy: -492.439599 where: bonds (distance) C4'-P energy: -86.555 bonds (distance) P-C4' energy: -91.259 flat angles C4'-P-C4' energy: -114.175 flat angles P-C4'-P energy: -73.637 tors. eta vs tors. theta energy: -126.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1348.155139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.155139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.155139 (E_RNA) where: Base-Base interactions energy: -908.785 where: short stacking energy: -387.712 Base-Backbone interact. energy: 1.353 local terms energy: -440.723104 where: bonds (distance) C4'-P energy: -74.108 bonds (distance) P-C4' energy: -78.834 flat angles C4'-P-C4' energy: -101.661 flat angles P-C4'-P energy: -61.156 tors. eta vs tors. theta energy: -124.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1303.542104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.542104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.542104 (E_RNA) where: Base-Base interactions energy: -881.945 where: short stacking energy: -365.996 Base-Backbone interact. energy: -3.252 local terms energy: -418.344571 where: bonds (distance) C4'-P energy: -76.633 bonds (distance) P-C4' energy: -96.546 flat angles C4'-P-C4' energy: -81.198 flat angles P-C4'-P energy: -59.499 tors. eta vs tors. theta energy: -104.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1308.477749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.477749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.477749 (E_RNA) where: Base-Base interactions energy: -917.755 where: short stacking energy: -363.666 Base-Backbone interact. energy: 5.618 local terms energy: -396.340510 where: bonds (distance) C4'-P energy: -81.060 bonds (distance) P-C4' energy: -84.962 flat angles C4'-P-C4' energy: -75.553 flat angles P-C4'-P energy: -67.401 tors. eta vs tors. theta energy: -87.364 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: 5 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1209.513142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.513142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.513142 (E_RNA) where: Base-Base interactions energy: -829.948 where: short stacking energy: -354.253 Base-Backbone interact. energy: -2.610 local terms energy: -376.955687 where: bonds (distance) C4'-P energy: -59.009 bonds (distance) P-C4' energy: -85.093 flat angles C4'-P-C4' energy: -100.501 flat angles P-C4'-P energy: -51.465 tors. eta vs tors. theta energy: -80.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -731.184032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.184032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.184032 (E_RNA) where: Base-Base interactions energy: -412.540 where: short stacking energy: -200.349 Base-Backbone interact. energy: -2.379 local terms energy: -316.265005 where: bonds (distance) C4'-P energy: -86.712 bonds (distance) P-C4' energy: -91.797 flat angles C4'-P-C4' energy: -71.061 flat angles P-C4'-P energy: -53.025 tors. eta vs tors. theta energy: -13.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -605.712142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.712142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.712142 (E_RNA) where: Base-Base interactions energy: -330.060 where: short stacking energy: -169.126 Base-Backbone interact. energy: 0.735 local terms energy: -276.387172 where: bonds (distance) C4'-P energy: -75.547 bonds (distance) P-C4' energy: -82.431 flat angles C4'-P-C4' energy: -68.114 flat angles P-C4'-P energy: -40.163 tors. eta vs tors. theta energy: -10.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1757.613340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.613340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.613340 (E_RNA) where: Base-Base interactions energy: -1226.374 where: short stacking energy: -500.168 Base-Backbone interact. energy: -0.867 local terms energy: -530.372818 where: bonds (distance) C4'-P energy: -102.399 bonds (distance) P-C4' energy: -103.045 flat angles C4'-P-C4' energy: -105.779 flat angles P-C4'-P energy: -70.129 tors. eta vs tors. theta energy: -149.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1778.091650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.091650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.091650 (E_RNA) where: Base-Base interactions energy: -1253.320 where: short stacking energy: -522.873 Base-Backbone interact. energy: -1.404 local terms energy: -523.367977 where: bonds (distance) C4'-P energy: -88.379 bonds (distance) P-C4' energy: -93.290 flat angles C4'-P-C4' energy: -117.322 flat angles P-C4'-P energy: -70.719 tors. eta vs tors. theta energy: -153.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1653.349474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.349474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.349474 (E_RNA) where: Base-Base interactions energy: -1138.950 where: short stacking energy: -448.618 Base-Backbone interact. energy: -1.375 local terms energy: -513.024313 where: bonds (distance) C4'-P energy: -99.345 bonds (distance) P-C4' energy: -95.344 flat angles C4'-P-C4' energy: -105.613 flat angles P-C4'-P energy: -68.492 tors. eta vs tors. theta energy: -144.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1597.931413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.931413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.931413 (E_RNA) where: Base-Base interactions energy: -1144.928 where: short stacking energy: -452.486 Base-Backbone interact. energy: -1.321 local terms energy: -451.682881 where: bonds (distance) C4'-P energy: -75.650 bonds (distance) P-C4' energy: -91.576 flat angles C4'-P-C4' energy: -101.528 flat angles P-C4'-P energy: -64.431 tors. eta vs tors. theta energy: -118.498 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: 9 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1377.168191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.168191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.168191 (E_RNA) where: Base-Base interactions energy: -904.066 where: short stacking energy: -385.347 Base-Backbone interact. energy: 2.716 local terms energy: -475.817730 where: bonds (distance) C4'-P energy: -93.246 bonds (distance) P-C4' energy: -83.831 flat angles C4'-P-C4' energy: -96.613 flat angles P-C4'-P energy: -77.563 tors. eta vs tors. theta energy: -124.564 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: 2 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1281.652346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.652346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.652346 (E_RNA) where: Base-Base interactions energy: -836.005 where: short stacking energy: -350.603 Base-Backbone interact. energy: -3.354 local terms energy: -442.293812 where: bonds (distance) C4'-P energy: -92.343 bonds (distance) P-C4' energy: -78.383 flat angles C4'-P-C4' energy: -104.569 flat angles P-C4'-P energy: -68.166 tors. eta vs tors. theta energy: -98.833 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: 7 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1264.400647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.400647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.400647 (E_RNA) where: Base-Base interactions energy: -876.880 where: short stacking energy: -352.038 Base-Backbone interact. energy: 4.861 local terms energy: -392.381696 where: bonds (distance) C4'-P energy: -86.327 bonds (distance) P-C4' energy: -72.715 flat angles C4'-P-C4' energy: -89.610 flat angles P-C4'-P energy: -51.140 tors. eta vs tors. theta energy: -92.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1194.364329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.364329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.364329 (E_RNA) where: Base-Base interactions energy: -776.758 where: short stacking energy: -331.258 Base-Backbone interact. energy: -0.808 local terms energy: -416.798248 where: bonds (distance) C4'-P energy: -72.478 bonds (distance) P-C4' energy: -90.492 flat angles C4'-P-C4' energy: -96.761 flat angles P-C4'-P energy: -66.937 tors. eta vs tors. theta energy: -90.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -638.682505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.682505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.682505 (E_RNA) where: Base-Base interactions energy: -325.989 where: short stacking energy: -180.047 Base-Backbone interact. energy: -1.847 local terms energy: -310.846684 where: bonds (distance) C4'-P energy: -68.572 bonds (distance) P-C4' energy: -92.016 flat angles C4'-P-C4' energy: -85.812 flat angles P-C4'-P energy: -48.262 tors. eta vs tors. theta energy: -16.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -654.236461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.236461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.236461 (E_RNA) where: Base-Base interactions energy: -375.232 where: short stacking energy: -193.863 Base-Backbone interact. energy: -1.320 local terms energy: -277.684089 where: bonds (distance) C4'-P energy: -75.340 bonds (distance) P-C4' energy: -73.871 flat angles C4'-P-C4' energy: -68.908 flat angles P-C4'-P energy: -33.906 tors. eta vs tors. theta energy: -25.659 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: 1 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1771.352555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.352555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.352555 (E_RNA) where: Base-Base interactions energy: -1250.587 where: short stacking energy: -503.856 Base-Backbone interact. energy: -1.085 local terms energy: -519.680970 where: bonds (distance) C4'-P energy: -92.679 bonds (distance) P-C4' energy: -92.548 flat angles C4'-P-C4' energy: -107.993 flat angles P-C4'-P energy: -71.385 tors. eta vs tors. theta energy: -155.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1772.596409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.596409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.596409 (E_RNA) where: Base-Base interactions energy: -1243.900 where: short stacking energy: -512.248 Base-Backbone interact. energy: -0.114 local terms energy: -528.582864 where: bonds (distance) C4'-P energy: -99.824 bonds (distance) P-C4' energy: -94.509 flat angles C4'-P-C4' energy: -108.271 flat angles P-C4'-P energy: -66.725 tors. eta vs tors. theta energy: -159.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1655.187080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.187080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.187080 (E_RNA) where: Base-Base interactions energy: -1152.617 where: short stacking energy: -475.496 Base-Backbone interact. energy: -1.551 local terms energy: -501.018357 where: bonds (distance) C4'-P energy: -84.712 bonds (distance) P-C4' energy: -91.892 flat angles C4'-P-C4' energy: -105.632 flat angles P-C4'-P energy: -68.133 tors. eta vs tors. theta energy: -150.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1579.765243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.765243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.765243 (E_RNA) where: Base-Base interactions energy: -1105.275 where: short stacking energy: -429.230 Base-Backbone interact. energy: 1.826 local terms energy: -476.316598 where: bonds (distance) C4'-P energy: -94.560 bonds (distance) P-C4' energy: -93.914 flat angles C4'-P-C4' energy: -104.742 flat angles P-C4'-P energy: -67.914 tors. eta vs tors. theta energy: -115.187 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: 9 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1387.281505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.281505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.281505 (E_RNA) where: Base-Base interactions energy: -925.057 where: short stacking energy: -385.689 Base-Backbone interact. energy: -0.196 local terms energy: -462.028201 where: bonds (distance) C4'-P energy: -94.588 bonds (distance) P-C4' energy: -93.143 flat angles C4'-P-C4' energy: -100.795 flat angles P-C4'-P energy: -65.775 tors. eta vs tors. theta energy: -107.727 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: 129 Temperature: 1.150000 Total energy: -1285.284818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.284818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.284818 (E_RNA) where: Base-Base interactions energy: -891.858 where: short stacking energy: -330.781 Base-Backbone interact. energy: -3.590 local terms energy: -389.836977 where: bonds (distance) C4'-P energy: -73.951 bonds (distance) P-C4' energy: -87.222 flat angles C4'-P-C4' energy: -89.517 flat angles P-C4'-P energy: -58.445 tors. eta vs tors. theta energy: -80.702 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: 2 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1257.267677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.267677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.267677 (E_RNA) where: Base-Base interactions energy: -818.624 where: short stacking energy: -353.570 Base-Backbone interact. energy: 1.560 local terms energy: -440.204234 where: bonds (distance) C4'-P energy: -72.231 bonds (distance) P-C4' energy: -90.502 flat angles C4'-P-C4' energy: -102.591 flat angles P-C4'-P energy: -67.498 tors. eta vs tors. theta energy: -107.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1172.249884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.249884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.249884 (E_RNA) where: Base-Base interactions energy: -783.823 where: short stacking energy: -339.307 Base-Backbone interact. energy: -1.357 local terms energy: -387.070131 where: bonds (distance) C4'-P energy: -76.857 bonds (distance) P-C4' energy: -80.176 flat angles C4'-P-C4' energy: -94.014 flat angles P-C4'-P energy: -43.659 tors. eta vs tors. theta energy: -92.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -649.890647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.890647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.890647 (E_RNA) where: Base-Base interactions energy: -342.884 where: short stacking energy: -175.803 Base-Backbone interact. energy: -0.790 local terms energy: -306.216756 where: bonds (distance) C4'-P energy: -84.676 bonds (distance) P-C4' energy: -87.320 flat angles C4'-P-C4' energy: -77.123 flat angles P-C4'-P energy: -39.215 tors. eta vs tors. theta energy: -17.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -588.037233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.037233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.037233 (E_RNA) where: Base-Base interactions energy: -316.088 where: short stacking energy: -155.093 Base-Backbone interact. energy: 5.608 local terms energy: -277.557181 where: bonds (distance) C4'-P energy: -80.069 bonds (distance) P-C4' energy: -79.946 flat angles C4'-P-C4' energy: -71.428 flat angles P-C4'-P energy: -41.087 tors. eta vs tors. theta energy: -5.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1791.152878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.152878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.152878 (E_RNA) where: Base-Base interactions energy: -1245.370 where: short stacking energy: -522.609 Base-Backbone interact. energy: -0.801 local terms energy: -544.981377 where: bonds (distance) C4'-P energy: -98.793 bonds (distance) P-C4' energy: -101.206 flat angles C4'-P-C4' energy: -114.259 flat angles P-C4'-P energy: -71.109 tors. eta vs tors. theta energy: -159.614 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: 2, replica: 1 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1760.757635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.757635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.757635 (E_RNA) where: Base-Base interactions energy: -1245.906 where: short stacking energy: -490.050 Base-Backbone interact. energy: -2.226 local terms energy: -512.625721 where: bonds (distance) C4'-P energy: -87.263 bonds (distance) P-C4' energy: -81.410 flat angles C4'-P-C4' energy: -111.977 flat angles P-C4'-P energy: -77.896 tors. eta vs tors. theta energy: -154.080 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: 6 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1678.756950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.756950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.756950 (E_RNA) where: Base-Base interactions energy: -1179.225 where: short stacking energy: -475.189 Base-Backbone interact. energy: -0.190 local terms energy: -499.341976 where: bonds (distance) C4'-P energy: -84.020 bonds (distance) P-C4' energy: -90.161 flat angles C4'-P-C4' energy: -113.986 flat angles P-C4'-P energy: -67.820 tors. eta vs tors. theta energy: -143.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1570.224814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.224814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.224814 (E_RNA) where: Base-Base interactions energy: -1091.006 where: short stacking energy: -424.119 Base-Backbone interact. energy: -3.280 local terms energy: -475.938748 where: bonds (distance) C4'-P energy: -101.394 bonds (distance) P-C4' energy: -83.888 flat angles C4'-P-C4' energy: -102.070 flat angles P-C4'-P energy: -68.794 tors. eta vs tors. theta energy: -119.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1423.157175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.157175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.157175 (E_RNA) where: Base-Base interactions energy: -954.969 where: short stacking energy: -410.957 Base-Backbone interact. energy: -2.450 local terms energy: -465.738804 where: bonds (distance) C4'-P energy: -73.351 bonds (distance) P-C4' energy: -97.789 flat angles C4'-P-C4' energy: -104.536 flat angles P-C4'-P energy: -74.124 tors. eta vs tors. theta energy: -115.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1265.697438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.697438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.697438 (E_RNA) where: Base-Base interactions energy: -866.626 where: short stacking energy: -360.420 Base-Backbone interact. energy: -0.448 local terms energy: -398.624249 where: bonds (distance) C4'-P energy: -81.260 bonds (distance) P-C4' energy: -89.308 flat angles C4'-P-C4' energy: -79.682 flat angles P-C4'-P energy: -58.158 tors. eta vs tors. theta energy: -90.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1282.352413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.352413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.352413 (E_RNA) where: Base-Base interactions energy: -849.435 where: short stacking energy: -362.452 Base-Backbone interact. energy: -0.616 local terms energy: -432.301170 where: bonds (distance) C4'-P energy: -74.510 bonds (distance) P-C4' energy: -85.094 flat angles C4'-P-C4' energy: -106.777 flat angles P-C4'-P energy: -54.885 tors. eta vs tors. theta energy: -111.034 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: 5 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1213.151651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.151651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.151651 (E_RNA) where: Base-Base interactions energy: -817.569 where: short stacking energy: -354.456 Base-Backbone interact. energy: -0.558 local terms energy: -395.024805 where: bonds (distance) C4'-P energy: -77.450 bonds (distance) P-C4' energy: -76.563 flat angles C4'-P-C4' energy: -93.163 flat angles P-C4'-P energy: -59.181 tors. eta vs tors. theta energy: -88.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -655.390664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.390664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.390664 (E_RNA) where: Base-Base interactions energy: -357.285 where: short stacking energy: -179.106 Base-Backbone interact. energy: -0.437 local terms energy: -297.668914 where: bonds (distance) C4'-P energy: -74.365 bonds (distance) P-C4' energy: -93.092 flat angles C4'-P-C4' energy: -70.144 flat angles P-C4'-P energy: -53.390 tors. eta vs tors. theta energy: -6.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -587.871268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.871268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.871268 (E_RNA) where: Base-Base interactions energy: -317.177 where: short stacking energy: -161.570 Base-Backbone interact. energy: 4.611 local terms energy: -275.304683 where: bonds (distance) C4'-P energy: -93.095 bonds (distance) P-C4' energy: -73.554 flat angles C4'-P-C4' energy: -56.895 flat angles P-C4'-P energy: -40.117 tors. eta vs tors. theta energy: -11.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1787.053829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.053829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.053829 (E_RNA) where: Base-Base interactions energy: -1232.524 where: short stacking energy: -507.166 Base-Backbone interact. energy: -0.768 local terms energy: -553.761795 where: bonds (distance) C4'-P energy: -96.420 bonds (distance) P-C4' energy: -97.558 flat angles C4'-P-C4' energy: -118.883 flat angles P-C4'-P energy: -78.151 tors. eta vs tors. theta energy: -162.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1734.405948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.405948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.405948 (E_RNA) where: Base-Base interactions energy: -1233.125 where: short stacking energy: -485.729 Base-Backbone interact. energy: -0.870 local terms energy: -500.410964 where: bonds (distance) C4'-P energy: -90.546 bonds (distance) P-C4' energy: -85.638 flat angles C4'-P-C4' energy: -103.202 flat angles P-C4'-P energy: -80.116 tors. eta vs tors. theta energy: -140.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1670.715474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.715474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.715474 (E_RNA) where: Base-Base interactions energy: -1185.609 where: short stacking energy: -481.900 Base-Backbone interact. energy: -0.771 local terms energy: -484.335102 where: bonds (distance) C4'-P energy: -92.454 bonds (distance) P-C4' energy: -83.936 flat angles C4'-P-C4' energy: -86.310 flat angles P-C4'-P energy: -78.264 tors. eta vs tors. theta energy: -143.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1585.147172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.147172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.147172 (E_RNA) where: Base-Base interactions energy: -1117.334 where: short stacking energy: -430.561 Base-Backbone interact. energy: -1.846 local terms energy: -465.967179 where: bonds (distance) C4'-P energy: -91.502 bonds (distance) P-C4' energy: -88.843 flat angles C4'-P-C4' energy: -94.436 flat angles P-C4'-P energy: -65.638 tors. eta vs tors. theta energy: -125.548 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: 5, replica: 9 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1426.906555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.906555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.906555 (E_RNA) where: Base-Base interactions energy: -1001.810 where: short stacking energy: -407.924 Base-Backbone interact. energy: 0.895 local terms energy: -425.991733 where: bonds (distance) C4'-P energy: -79.933 bonds (distance) P-C4' energy: -75.689 flat angles C4'-P-C4' energy: -92.605 flat angles P-C4'-P energy: -64.437 tors. eta vs tors. theta energy: -113.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1296.385648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.385648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.385648 (E_RNA) where: Base-Base interactions energy: -873.033 where: short stacking energy: -342.770 Base-Backbone interact. energy: -1.573 local terms energy: -421.780133 where: bonds (distance) C4'-P energy: -89.499 bonds (distance) P-C4' energy: -87.886 flat angles C4'-P-C4' energy: -90.624 flat angles P-C4'-P energy: -59.921 tors. eta vs tors. theta energy: -93.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1295.459561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.459561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.459561 (E_RNA) where: Base-Base interactions energy: -870.337 where: short stacking energy: -350.068 Base-Backbone interact. energy: 1.111 local terms energy: -426.233533 where: bonds (distance) C4'-P energy: -83.632 bonds (distance) P-C4' energy: -80.573 flat angles C4'-P-C4' energy: -92.280 flat angles P-C4'-P energy: -58.018 tors. eta vs tors. theta energy: -111.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1171.181268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.181268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.181268 (E_RNA) where: Base-Base interactions energy: -792.130 where: short stacking energy: -327.355 Base-Backbone interact. energy: -0.440 local terms energy: -378.610533 where: bonds (distance) C4'-P energy: -74.346 bonds (distance) P-C4' energy: -73.239 flat angles C4'-P-C4' energy: -94.761 flat angles P-C4'-P energy: -62.121 tors. eta vs tors. theta energy: -74.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -658.856770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.856770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.856770 (E_RNA) where: Base-Base interactions energy: -383.094 where: short stacking energy: -183.195 Base-Backbone interact. energy: -0.693 local terms energy: -275.069258 where: bonds (distance) C4'-P energy: -57.576 bonds (distance) P-C4' energy: -82.035 flat angles C4'-P-C4' energy: -73.925 flat angles P-C4'-P energy: -37.265 tors. eta vs tors. theta energy: -24.268 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: 10, replica: 10 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -588.164547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.164547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.164547 (E_RNA) where: Base-Base interactions energy: -313.185 where: short stacking energy: -156.103 Base-Backbone interact. energy: 3.507 local terms energy: -278.486843 where: bonds (distance) C4'-P energy: -71.284 bonds (distance) P-C4' energy: -73.689 flat angles C4'-P-C4' energy: -66.144 flat angles P-C4'-P energy: -50.145 tors. eta vs tors. theta energy: -17.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1813.112321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.112321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.112321 (E_RNA) where: Base-Base interactions energy: -1250.701 where: short stacking energy: -514.956 Base-Backbone interact. energy: -1.795 local terms energy: -560.615764 where: bonds (distance) C4'-P energy: -105.643 bonds (distance) P-C4' energy: -102.650 flat angles C4'-P-C4' energy: -115.087 flat angles P-C4'-P energy: -77.687 tors. eta vs tors. theta energy: -159.549 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: 1 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -1772.396587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.396587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.396587 (E_RNA) where: Base-Base interactions energy: -1227.938 where: short stacking energy: -480.762 Base-Backbone interact. energy: -2.424 local terms energy: -542.034236 where: bonds (distance) C4'-P energy: -97.819 bonds (distance) P-C4' energy: -96.991 flat angles C4'-P-C4' energy: -105.611 flat angles P-C4'-P energy: -84.457 tors. eta vs tors. theta energy: -157.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1669.795608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.795608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.795608 (E_RNA) where: Base-Base interactions energy: -1160.877 where: short stacking energy: -455.549 Base-Backbone interact. energy: -4.351 local terms energy: -504.567555 where: bonds (distance) C4'-P energy: -90.391 bonds (distance) P-C4' energy: -103.232 flat angles C4'-P-C4' energy: -108.118 flat angles P-C4'-P energy: -56.386 tors. eta vs tors. theta energy: -146.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1613.902721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.902721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.902721 (E_RNA) where: Base-Base interactions energy: -1136.803 where: short stacking energy: -432.645 Base-Backbone interact. energy: 3.914 local terms energy: -481.013437 where: bonds (distance) C4'-P energy: -94.071 bonds (distance) P-C4' energy: -85.449 flat angles C4'-P-C4' energy: -103.104 flat angles P-C4'-P energy: -73.482 tors. eta vs tors. theta energy: -124.908 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: 9 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1391.762645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.762645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.762645 (E_RNA) where: Base-Base interactions energy: -949.627 where: short stacking energy: -409.128 Base-Backbone interact. energy: 1.717 local terms energy: -443.853121 where: bonds (distance) C4'-P energy: -87.008 bonds (distance) P-C4' energy: -93.399 flat angles C4'-P-C4' energy: -91.193 flat angles P-C4'-P energy: -65.325 tors. eta vs tors. theta energy: -106.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1309.265136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.265136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.265136 (E_RNA) where: Base-Base interactions energy: -894.631 where: short stacking energy: -360.207 Base-Backbone interact. energy: 0.570 local terms energy: -415.204434 where: bonds (distance) C4'-P energy: -80.190 bonds (distance) P-C4' energy: -90.636 flat angles C4'-P-C4' energy: -87.049 flat angles P-C4'-P energy: -58.446 tors. eta vs tors. theta energy: -98.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1287.799036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.799036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.799036 (E_RNA) where: Base-Base interactions energy: -860.320 where: short stacking energy: -346.171 Base-Backbone interact. energy: -1.368 local terms energy: -426.111282 where: bonds (distance) C4'-P energy: -74.813 bonds (distance) P-C4' energy: -86.617 flat angles C4'-P-C4' energy: -94.566 flat angles P-C4'-P energy: -65.194 tors. eta vs tors. theta energy: -104.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1232.306127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.306127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.306127 (E_RNA) where: Base-Base interactions energy: -818.890 where: short stacking energy: -347.710 Base-Backbone interact. energy: 0.684 local terms energy: -414.100808 where: bonds (distance) C4'-P energy: -83.875 bonds (distance) P-C4' energy: -82.666 flat angles C4'-P-C4' energy: -87.274 flat angles P-C4'-P energy: -67.410 tors. eta vs tors. theta energy: -92.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -624.456082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.456082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.456082 (E_RNA) where: Base-Base interactions energy: -349.475 where: short stacking energy: -154.128 Base-Backbone interact. energy: -3.263 local terms energy: -271.717579 where: bonds (distance) C4'-P energy: -83.867 bonds (distance) P-C4' energy: -79.866 flat angles C4'-P-C4' energy: -58.188 flat angles P-C4'-P energy: -40.831 tors. eta vs tors. theta energy: -8.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -624.051328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.051328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.051328 (E_RNA) where: Base-Base interactions energy: -327.969 where: short stacking energy: -170.174 Base-Backbone interact. energy: 0.196 local terms energy: -296.278460 where: bonds (distance) C4'-P energy: -68.243 bonds (distance) P-C4' energy: -92.040 flat angles C4'-P-C4' energy: -74.440 flat angles P-C4'-P energy: -51.997 tors. eta vs tors. theta energy: -9.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1789.414021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.414021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.414021 (E_RNA) where: Base-Base interactions energy: -1257.789 where: short stacking energy: -523.590 Base-Backbone interact. energy: -1.287 local terms energy: -530.338002 where: bonds (distance) C4'-P energy: -98.932 bonds (distance) P-C4' energy: -91.241 flat angles C4'-P-C4' energy: -106.148 flat angles P-C4'-P energy: -75.117 tors. eta vs tors. theta energy: -158.899 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: 1 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1773.466498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.466498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.466498 (E_RNA) where: Base-Base interactions energy: -1262.339 where: short stacking energy: -508.054 Base-Backbone interact. energy: -1.667 local terms energy: -509.461085 where: bonds (distance) C4'-P energy: -89.481 bonds (distance) P-C4' energy: -94.273 flat angles C4'-P-C4' energy: -109.138 flat angles P-C4'-P energy: -60.764 tors. eta vs tors. theta energy: -155.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1696.549544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.549544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.549544 (E_RNA) where: Base-Base interactions energy: -1206.736 where: short stacking energy: -472.722 Base-Backbone interact. energy: 3.475 local terms energy: -493.288084 where: bonds (distance) C4'-P energy: -72.853 bonds (distance) P-C4' energy: -98.787 flat angles C4'-P-C4' energy: -112.869 flat angles P-C4'-P energy: -70.091 tors. eta vs tors. theta energy: -138.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1596.215158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.215158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.215158 (E_RNA) where: Base-Base interactions energy: -1116.187 where: short stacking energy: -439.721 Base-Backbone interact. energy: 0.674 local terms energy: -480.702609 where: bonds (distance) C4'-P energy: -88.044 bonds (distance) P-C4' energy: -97.787 flat angles C4'-P-C4' energy: -94.573 flat angles P-C4'-P energy: -74.960 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: 5, replica: 9 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1423.745624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.745624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.745624 (E_RNA) where: Base-Base interactions energy: -973.155 where: short stacking energy: -406.479 Base-Backbone interact. energy: -0.226 local terms energy: -450.364830 where: bonds (distance) C4'-P energy: -76.269 bonds (distance) P-C4' energy: -88.502 flat angles C4'-P-C4' energy: -104.679 flat angles P-C4'-P energy: -60.255 tors. eta vs tors. theta energy: -120.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1268.987580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.987580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.987580 (E_RNA) where: Base-Base interactions energy: -841.503 where: short stacking energy: -330.430 Base-Backbone interact. energy: -1.755 local terms energy: -425.729758 where: bonds (distance) C4'-P energy: -85.606 bonds (distance) P-C4' energy: -89.805 flat angles C4'-P-C4' energy: -87.692 flat angles P-C4'-P energy: -73.483 tors. eta vs tors. theta energy: -89.144 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: 2 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1211.955664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.955664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.955664 (E_RNA) where: Base-Base interactions energy: -798.893 where: short stacking energy: -349.681 Base-Backbone interact. energy: -0.036 local terms energy: -413.026538 where: bonds (distance) C4'-P energy: -74.344 bonds (distance) P-C4' energy: -81.594 flat angles C4'-P-C4' energy: -87.121 flat angles P-C4'-P energy: -69.736 tors. eta vs tors. theta energy: -100.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1170.374259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.374259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.374259 (E_RNA) where: Base-Base interactions energy: -802.554 where: short stacking energy: -355.627 Base-Backbone interact. energy: 0.066 local terms energy: -367.885527 where: bonds (distance) C4'-P energy: -49.743 bonds (distance) P-C4' energy: -87.207 flat angles C4'-P-C4' energy: -76.669 flat angles P-C4'-P energy: -58.064 tors. eta vs tors. theta energy: -96.202 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: 10 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -626.401848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.401848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.401848 (E_RNA) where: Base-Base interactions energy: -324.399 where: short stacking energy: -173.500 Base-Backbone interact. energy: 0.252 local terms energy: -302.254504 where: bonds (distance) C4'-P energy: -79.693 bonds (distance) P-C4' energy: -85.320 flat angles C4'-P-C4' energy: -85.579 flat angles P-C4'-P energy: -43.372 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: 8 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -605.677657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.677657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.677657 (E_RNA) where: Base-Base interactions energy: -320.559 where: short stacking energy: -159.142 Base-Backbone interact. energy: -0.603 local terms energy: -284.516108 where: bonds (distance) C4'-P energy: -78.056 bonds (distance) P-C4' energy: -85.222 flat angles C4'-P-C4' energy: -71.607 flat angles P-C4'-P energy: -30.014 tors. eta vs tors. theta energy: -19.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1780.079845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.079845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.079845 (E_RNA) where: Base-Base interactions energy: -1276.403 where: short stacking energy: -490.270 Base-Backbone interact. energy: -1.015 local terms energy: -502.661884 where: bonds (distance) C4'-P energy: -82.404 bonds (distance) P-C4' energy: -103.973 flat angles C4'-P-C4' energy: -98.451 flat angles P-C4'-P energy: -76.192 tors. eta vs tors. theta energy: -141.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1753.802560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.802560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.802560 (E_RNA) where: Base-Base interactions energy: -1222.040 where: short stacking energy: -483.052 Base-Backbone interact. energy: -2.401 local terms energy: -529.361151 where: bonds (distance) C4'-P energy: -100.626 bonds (distance) P-C4' energy: -86.933 flat angles C4'-P-C4' energy: -115.418 flat angles P-C4'-P energy: -69.904 tors. eta vs tors. theta energy: -156.479 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: 3, replica: 6 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1710.169098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.169098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.169098 (E_RNA) where: Base-Base interactions energy: -1195.465 where: short stacking energy: -473.243 Base-Backbone interact. energy: -3.134 local terms energy: -511.570053 where: bonds (distance) C4'-P energy: -84.351 bonds (distance) P-C4' energy: -81.763 flat angles C4'-P-C4' energy: -114.899 flat angles P-C4'-P energy: -76.642 tors. eta vs tors. theta energy: -153.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1598.099131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.099131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.099131 (E_RNA) where: Base-Base interactions energy: -1122.372 where: short stacking energy: -437.228 Base-Backbone interact. energy: -2.046 local terms energy: -473.681261 where: bonds (distance) C4'-P energy: -76.981 bonds (distance) P-C4' energy: -94.150 flat angles C4'-P-C4' energy: -110.325 flat angles P-C4'-P energy: -69.808 tors. eta vs tors. theta energy: -122.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1438.313927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.313927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.313927 (E_RNA) where: Base-Base interactions energy: -997.546 where: short stacking energy: -407.935 Base-Backbone interact. energy: -0.679 local terms energy: -440.089111 where: bonds (distance) C4'-P energy: -77.923 bonds (distance) P-C4' energy: -84.009 flat angles C4'-P-C4' energy: -95.680 flat angles P-C4'-P energy: -69.668 tors. eta vs tors. theta energy: -112.809 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: 7 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1297.808781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.808781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.808781 (E_RNA) where: Base-Base interactions energy: -874.056 where: short stacking energy: -359.864 Base-Backbone interact. energy: 1.155 local terms energy: -424.907749 where: bonds (distance) C4'-P energy: -81.389 bonds (distance) P-C4' energy: -81.534 flat angles C4'-P-C4' energy: -103.617 flat angles P-C4'-P energy: -64.775 tors. eta vs tors. theta energy: -93.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1190.382277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.382277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.382277 (E_RNA) where: Base-Base interactions energy: -801.447 where: short stacking energy: -347.537 Base-Backbone interact. energy: -0.615 local terms energy: -388.320296 where: bonds (distance) C4'-P energy: -73.494 bonds (distance) P-C4' energy: -69.555 flat angles C4'-P-C4' energy: -88.482 flat angles P-C4'-P energy: -64.942 tors. eta vs tors. theta energy: -91.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1185.736869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.736869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.736869 (E_RNA) where: Base-Base interactions energy: -773.019 where: short stacking energy: -309.769 Base-Backbone interact. energy: -0.148 local terms energy: -412.569539 where: bonds (distance) C4'-P energy: -81.252 bonds (distance) P-C4' energy: -83.758 flat angles C4'-P-C4' energy: -97.659 flat angles P-C4'-P energy: -54.464 tors. eta vs tors. theta energy: -95.435 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: 8 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -650.734151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.734151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.734151 (E_RNA) where: Base-Base interactions energy: -378.063 where: short stacking energy: -192.411 Base-Backbone interact. energy: 1.003 local terms energy: -273.674499 where: bonds (distance) C4'-P energy: -71.815 bonds (distance) P-C4' energy: -74.111 flat angles C4'-P-C4' energy: -82.659 flat angles P-C4'-P energy: -26.106 tors. eta vs tors. theta energy: -18.984 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: 10 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -597.214453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.214453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.214453 (E_RNA) where: Base-Base interactions energy: -323.152 where: short stacking energy: -154.689 Base-Backbone interact. energy: -1.102 local terms energy: -272.960318 where: bonds (distance) C4'-P energy: -67.706 bonds (distance) P-C4' energy: -93.453 flat angles C4'-P-C4' energy: -64.691 flat angles P-C4'-P energy: -43.854 tors. eta vs tors. theta energy: -3.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1792.458524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.458524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.458524 (E_RNA) where: Base-Base interactions energy: -1272.976 where: short stacking energy: -500.152 Base-Backbone interact. energy: -2.669 local terms energy: -516.813671 where: bonds (distance) C4'-P energy: -90.498 bonds (distance) P-C4' energy: -96.220 flat angles C4'-P-C4' energy: -111.087 flat angles P-C4'-P energy: -70.779 tors. eta vs tors. theta energy: -148.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1767.655469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.655469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.655469 (E_RNA) where: Base-Base interactions energy: -1244.017 where: short stacking energy: -516.668 Base-Backbone interact. energy: -1.546 local terms energy: -522.092946 where: bonds (distance) C4'-P energy: -96.796 bonds (distance) P-C4' energy: -84.105 flat angles C4'-P-C4' energy: -99.799 flat angles P-C4'-P energy: -77.891 tors. eta vs tors. theta energy: -163.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1713.070397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.070397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.070397 (E_RNA) where: Base-Base interactions energy: -1198.513 where: short stacking energy: -481.084 Base-Backbone interact. energy: 0.445 local terms energy: -515.002548 where: bonds (distance) C4'-P energy: -92.353 bonds (distance) P-C4' energy: -85.741 flat angles C4'-P-C4' energy: -103.169 flat angles P-C4'-P energy: -82.821 tors. eta vs tors. theta energy: -150.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1588.616229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.616229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.616229 (E_RNA) where: Base-Base interactions energy: -1121.050 where: short stacking energy: -442.528 Base-Backbone interact. energy: 1.442 local terms energy: -469.008119 where: bonds (distance) C4'-P energy: -96.026 bonds (distance) P-C4' energy: -90.797 flat angles C4'-P-C4' energy: -90.126 flat angles P-C4'-P energy: -72.431 tors. eta vs tors. theta energy: -119.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1408.430979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.430979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.430979 (E_RNA) where: Base-Base interactions energy: -967.442 where: short stacking energy: -394.520 Base-Backbone interact. energy: 0.797 local terms energy: -441.786167 where: bonds (distance) C4'-P energy: -81.805 bonds (distance) P-C4' energy: -83.443 flat angles C4'-P-C4' energy: -99.488 flat angles P-C4'-P energy: -69.873 tors. eta vs tors. theta energy: -107.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1329.258943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.258943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.258943 (E_RNA) where: Base-Base interactions energy: -904.504 where: short stacking energy: -367.549 Base-Backbone interact. energy: 2.957 local terms energy: -427.711411 where: bonds (distance) C4'-P energy: -92.388 bonds (distance) P-C4' energy: -88.950 flat angles C4'-P-C4' energy: -83.898 flat angles P-C4'-P energy: -67.994 tors. eta vs tors. theta energy: -94.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1255.027862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.027862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.027862 (E_RNA) where: Base-Base interactions energy: -837.384 where: short stacking energy: -369.399 Base-Backbone interact. energy: -2.475 local terms energy: -415.168412 where: bonds (distance) C4'-P energy: -82.793 bonds (distance) P-C4' energy: -87.625 flat angles C4'-P-C4' energy: -88.288 flat angles P-C4'-P energy: -64.519 tors. eta vs tors. theta energy: -91.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1135.717713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.717713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.717713 (E_RNA) where: Base-Base interactions energy: -727.379 where: short stacking energy: -312.386 Base-Backbone interact. energy: 1.059 local terms energy: -409.398053 where: bonds (distance) C4'-P energy: -88.780 bonds (distance) P-C4' energy: -78.240 flat angles C4'-P-C4' energy: -99.904 flat angles P-C4'-P energy: -48.116 tors. eta vs tors. theta energy: -94.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -681.222209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.222209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.222209 (E_RNA) where: Base-Base interactions energy: -372.625 where: short stacking energy: -171.727 Base-Backbone interact. energy: -2.368 local terms energy: -306.229190 where: bonds (distance) C4'-P energy: -89.754 bonds (distance) P-C4' energy: -78.078 flat angles C4'-P-C4' energy: -70.755 flat angles P-C4'-P energy: -44.198 tors. eta vs tors. theta energy: -23.444 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: 10, replica: 10 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -633.108614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.108614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.108614 (E_RNA) where: Base-Base interactions energy: -328.972 where: short stacking energy: -152.627 Base-Backbone interact. energy: -2.125 local terms energy: -302.011752 where: bonds (distance) C4'-P energy: -78.289 bonds (distance) P-C4' energy: -83.079 flat angles C4'-P-C4' energy: -84.320 flat angles P-C4'-P energy: -39.358 tors. eta vs tors. theta energy: -16.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1788.397088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.397088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.397088 (E_RNA) where: Base-Base interactions energy: -1262.442 where: short stacking energy: -500.139 Base-Backbone interact. energy: -3.420 local terms energy: -522.534699 where: bonds (distance) C4'-P energy: -94.898 bonds (distance) P-C4' energy: -89.451 flat angles C4'-P-C4' energy: -102.172 flat angles P-C4'-P energy: -81.704 tors. eta vs tors. theta energy: -154.309 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: 2, replica: 3 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1742.940752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.940752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.940752 (E_RNA) where: Base-Base interactions energy: -1203.764 where: short stacking energy: -491.850 Base-Backbone interact. energy: -2.565 local terms energy: -536.611111 where: bonds (distance) C4'-P energy: -103.254 bonds (distance) P-C4' energy: -97.735 flat angles C4'-P-C4' energy: -116.984 flat angles P-C4'-P energy: -69.568 tors. eta vs tors. theta energy: -149.070 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: 6 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1697.128913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.128913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.128913 (E_RNA) where: Base-Base interactions energy: -1182.306 where: short stacking energy: -467.873 Base-Backbone interact. energy: -2.533 local terms energy: -512.289419 where: bonds (distance) C4'-P energy: -90.393 bonds (distance) P-C4' energy: -95.240 flat angles C4'-P-C4' energy: -103.055 flat angles P-C4'-P energy: -72.676 tors. eta vs tors. theta energy: -150.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1590.634747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.634747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.634747 (E_RNA) where: Base-Base interactions energy: -1135.359 where: short stacking energy: -453.468 Base-Backbone interact. energy: -0.288 local terms energy: -454.987529 where: bonds (distance) C4'-P energy: -64.908 bonds (distance) P-C4' energy: -74.713 flat angles C4'-P-C4' energy: -111.347 flat angles P-C4'-P energy: -70.404 tors. eta vs tors. theta energy: -133.615 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: 9 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1419.532540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.532540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.532540 (E_RNA) where: Base-Base interactions energy: -952.835 where: short stacking energy: -420.036 Base-Backbone interact. energy: -0.307 local terms energy: -466.390248 where: bonds (distance) C4'-P energy: -89.943 bonds (distance) P-C4' energy: -91.253 flat angles C4'-P-C4' energy: -99.811 flat angles P-C4'-P energy: -56.316 tors. eta vs tors. theta energy: -129.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1333.701645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.701645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.701645 (E_RNA) where: Base-Base interactions energy: -893.015 where: short stacking energy: -340.138 Base-Backbone interact. energy: -4.941 local terms energy: -435.746139 where: bonds (distance) C4'-P energy: -91.815 bonds (distance) P-C4' energy: -85.634 flat angles C4'-P-C4' energy: -90.309 flat angles P-C4'-P energy: -63.067 tors. eta vs tors. theta energy: -104.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1240.341667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.341667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.341667 (E_RNA) where: Base-Base interactions energy: -859.235 where: short stacking energy: -378.534 Base-Backbone interact. energy: 0.936 local terms energy: -382.042436 where: bonds (distance) C4'-P energy: -77.867 bonds (distance) P-C4' energy: -66.081 flat angles C4'-P-C4' energy: -92.502 flat angles P-C4'-P energy: -56.886 tors. eta vs tors. theta energy: -88.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1092.149262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.149262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.149262 (E_RNA) where: Base-Base interactions energy: -726.249 where: short stacking energy: -303.082 Base-Backbone interact. energy: 5.298 local terms energy: -371.198151 where: bonds (distance) C4'-P energy: -82.097 bonds (distance) P-C4' energy: -77.910 flat angles C4'-P-C4' energy: -82.071 flat angles P-C4'-P energy: -45.708 tors. eta vs tors. theta energy: -83.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -664.004239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.004239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.004239 (E_RNA) where: Base-Base interactions energy: -386.125 where: short stacking energy: -184.065 Base-Backbone interact. energy: 0.544 local terms energy: -278.423976 where: bonds (distance) C4'-P energy: -81.676 bonds (distance) P-C4' energy: -86.516 flat angles C4'-P-C4' energy: -65.282 flat angles P-C4'-P energy: -37.758 tors. eta vs tors. theta energy: -7.192 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: 8 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -602.986557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.986557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.986557 (E_RNA) where: Base-Base interactions energy: -314.624 where: short stacking energy: -160.246 Base-Backbone interact. energy: -2.292 local terms energy: -286.070336 where: bonds (distance) C4'-P energy: -78.331 bonds (distance) P-C4' energy: -69.637 flat angles C4'-P-C4' energy: -70.171 flat angles P-C4'-P energy: -56.489 tors. eta vs tors. theta energy: -11.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1809.076384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.076384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.076384 (E_RNA) where: Base-Base interactions energy: -1266.551 where: short stacking energy: -504.390 Base-Backbone interact. energy: 0.622 local terms energy: -543.147309 where: bonds (distance) C4'-P energy: -91.943 bonds (distance) P-C4' energy: -107.873 flat angles C4'-P-C4' energy: -113.945 flat angles P-C4'-P energy: -78.834 tors. eta vs tors. theta energy: -150.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1736.985542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.985542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.985542 (E_RNA) where: Base-Base interactions energy: -1198.004 where: short stacking energy: -489.147 Base-Backbone interact. energy: -3.170 local terms energy: -535.811013 where: bonds (distance) C4'-P energy: -95.071 bonds (distance) P-C4' energy: -104.108 flat angles C4'-P-C4' energy: -107.500 flat angles P-C4'-P energy: -73.641 tors. eta vs tors. theta energy: -155.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1689.211471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.211471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.211471 (E_RNA) where: Base-Base interactions energy: -1173.362 where: short stacking energy: -467.963 Base-Backbone interact. energy: 0.642 local terms energy: -516.491199 where: bonds (distance) C4'-P energy: -103.158 bonds (distance) P-C4' energy: -84.944 flat angles C4'-P-C4' energy: -107.249 flat angles P-C4'-P energy: -80.266 tors. eta vs tors. theta energy: -140.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1612.210046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.210046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.210046 (E_RNA) where: Base-Base interactions energy: -1152.477 where: short stacking energy: -446.635 Base-Backbone interact. energy: 5.775 local terms energy: -465.507985 where: bonds (distance) C4'-P energy: -88.306 bonds (distance) P-C4' energy: -102.154 flat angles C4'-P-C4' energy: -99.857 flat angles P-C4'-P energy: -53.807 tors. eta vs tors. theta energy: -121.385 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: 5, replica: 9 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1431.300134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.300134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.300134 (E_RNA) where: Base-Base interactions energy: -955.064 where: short stacking energy: -419.130 Base-Backbone interact. energy: -2.397 local terms energy: -473.839609 where: bonds (distance) C4'-P energy: -93.700 bonds (distance) P-C4' energy: -93.736 flat angles C4'-P-C4' energy: -100.729 flat angles P-C4'-P energy: -61.876 tors. eta vs tors. theta energy: -123.799 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: 7 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1326.366522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.366522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.366522 (E_RNA) where: Base-Base interactions energy: -926.960 where: short stacking energy: -365.422 Base-Backbone interact. energy: -1.585 local terms energy: -397.820691 where: bonds (distance) C4'-P energy: -71.399 bonds (distance) P-C4' energy: -78.462 flat angles C4'-P-C4' energy: -83.625 flat angles P-C4'-P energy: -64.702 tors. eta vs tors. theta energy: -99.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1240.012081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.012081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.012081 (E_RNA) where: Base-Base interactions energy: -851.128 where: short stacking energy: -373.588 Base-Backbone interact. energy: -0.427 local terms energy: -388.456933 where: bonds (distance) C4'-P energy: -89.811 bonds (distance) P-C4' energy: -69.102 flat angles C4'-P-C4' energy: -83.436 flat angles P-C4'-P energy: -52.102 tors. eta vs tors. theta energy: -94.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1163.861961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.861961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.861961 (E_RNA) where: Base-Base interactions energy: -764.328 where: short stacking energy: -320.797 Base-Backbone interact. energy: -1.508 local terms energy: -398.026644 where: bonds (distance) C4'-P energy: -77.770 bonds (distance) P-C4' energy: -85.484 flat angles C4'-P-C4' energy: -85.584 flat angles P-C4'-P energy: -62.591 tors. eta vs tors. theta energy: -86.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -738.989396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.989396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.989396 (E_RNA) where: Base-Base interactions energy: -439.054 where: short stacking energy: -205.484 Base-Backbone interact. energy: -0.966 local terms energy: -298.969405 where: bonds (distance) C4'-P energy: -80.157 bonds (distance) P-C4' energy: -69.409 flat angles C4'-P-C4' energy: -79.513 flat angles P-C4'-P energy: -47.267 tors. eta vs tors. theta energy: -22.623 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: 137 Temperature: 1.350000 Total energy: -601.252457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.252457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.252457 (E_RNA) where: Base-Base interactions energy: -315.726 where: short stacking energy: -151.881 Base-Backbone interact. energy: -0.228 local terms energy: -285.299035 where: bonds (distance) C4'-P energy: -69.138 bonds (distance) P-C4' energy: -83.362 flat angles C4'-P-C4' energy: -85.932 flat angles P-C4'-P energy: -37.340 tors. eta vs tors. theta energy: -9.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1812.647241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.647241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.647241 (E_RNA) where: Base-Base interactions energy: -1282.819 where: short stacking energy: -502.833 Base-Backbone interact. energy: -3.102 local terms energy: -526.725724 where: bonds (distance) C4'-P energy: -91.180 bonds (distance) P-C4' energy: -96.174 flat angles C4'-P-C4' energy: -116.915 flat angles P-C4'-P energy: -74.414 tors. eta vs tors. theta energy: -148.044 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: 3 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1730.754852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.754852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.754852 (E_RNA) where: Base-Base interactions energy: -1184.943 where: short stacking energy: -491.571 Base-Backbone interact. energy: -1.053 local terms energy: -544.759599 where: bonds (distance) C4'-P energy: -93.522 bonds (distance) P-C4' energy: -100.794 flat angles C4'-P-C4' energy: -116.688 flat angles P-C4'-P energy: -83.151 tors. eta vs tors. theta energy: -150.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -1696.071693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.071693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.071693 (E_RNA) where: Base-Base interactions energy: -1205.907 where: short stacking energy: -465.786 Base-Backbone interact. energy: -0.166 local terms energy: -489.998788 where: bonds (distance) C4'-P energy: -91.306 bonds (distance) P-C4' energy: -74.402 flat angles C4'-P-C4' energy: -104.332 flat angles P-C4'-P energy: -73.464 tors. eta vs tors. theta energy: -146.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1531.538229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.538229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.538229 (E_RNA) where: Base-Base interactions energy: -1057.115 where: short stacking energy: -403.823 Base-Backbone interact. energy: -2.032 local terms energy: -472.390774 where: bonds (distance) C4'-P energy: -91.526 bonds (distance) P-C4' energy: -89.632 flat angles C4'-P-C4' energy: -106.497 flat angles P-C4'-P energy: -67.867 tors. eta vs tors. theta energy: -116.869 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: 9 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1396.672687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.672687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.672687 (E_RNA) where: Base-Base interactions energy: -941.890 where: short stacking energy: -386.155 Base-Backbone interact. energy: -2.806 local terms energy: -451.976162 where: bonds (distance) C4'-P energy: -73.738 bonds (distance) P-C4' energy: -93.438 flat angles C4'-P-C4' energy: -98.170 flat angles P-C4'-P energy: -69.069 tors. eta vs tors. theta energy: -117.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1353.654740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.654740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.654740 (E_RNA) where: Base-Base interactions energy: -953.343 where: short stacking energy: -380.665 Base-Backbone interact. energy: -3.832 local terms energy: -396.479927 where: bonds (distance) C4'-P energy: -64.482 bonds (distance) P-C4' energy: -85.548 flat angles C4'-P-C4' energy: -86.825 flat angles P-C4'-P energy: -50.047 tors. eta vs tors. theta energy: -109.577 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: 5 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1264.707068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.707068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.707068 (E_RNA) where: Base-Base interactions energy: -838.221 where: short stacking energy: -343.866 Base-Backbone interact. energy: -0.007 local terms energy: -426.478591 where: bonds (distance) C4'-P energy: -90.319 bonds (distance) P-C4' energy: -76.588 flat angles C4'-P-C4' energy: -93.907 flat angles P-C4'-P energy: -70.958 tors. eta vs tors. theta energy: -94.707 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: 8, replica: 2 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1152.342864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.342864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.342864 (E_RNA) where: Base-Base interactions energy: -765.714 where: short stacking energy: -342.153 Base-Backbone interact. energy: 0.005 local terms energy: -386.633171 where: bonds (distance) C4'-P energy: -74.806 bonds (distance) P-C4' energy: -83.470 flat angles C4'-P-C4' energy: -85.970 flat angles P-C4'-P energy: -45.966 tors. eta vs tors. theta energy: -96.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -775.242523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.242523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.242523 (E_RNA) where: Base-Base interactions energy: -437.379 where: short stacking energy: -216.825 Base-Backbone interact. energy: -1.699 local terms energy: -336.165061 where: bonds (distance) C4'-P energy: -96.903 bonds (distance) P-C4' energy: -71.316 flat angles C4'-P-C4' energy: -79.148 flat angles P-C4'-P energy: -57.937 tors. eta vs tors. theta energy: -30.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -583.599095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.599095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.599095 (E_RNA) where: Base-Base interactions energy: -309.832 where: short stacking energy: -172.882 Base-Backbone interact. energy: -0.095 local terms energy: -273.671804 where: bonds (distance) C4'-P energy: -68.056 bonds (distance) P-C4' energy: -71.023 flat angles C4'-P-C4' energy: -85.029 flat angles P-C4'-P energy: -38.916 tors. eta vs tors. theta energy: -10.648 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: 1 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1784.483652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.483652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.483652 (E_RNA) where: Base-Base interactions energy: -1275.661 where: short stacking energy: -492.207 Base-Backbone interact. energy: 3.350 local terms energy: -512.172671 where: bonds (distance) C4'-P energy: -88.433 bonds (distance) P-C4' energy: -90.435 flat angles C4'-P-C4' energy: -107.363 flat angles P-C4'-P energy: -72.884 tors. eta vs tors. theta energy: -153.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1749.094938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.094938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.094938 (E_RNA) where: Base-Base interactions energy: -1199.330 where: short stacking energy: -505.808 Base-Backbone interact. energy: -1.417 local terms energy: -548.348346 where: bonds (distance) C4'-P energy: -102.470 bonds (distance) P-C4' energy: -87.852 flat angles C4'-P-C4' energy: -109.343 flat angles P-C4'-P energy: -86.352 tors. eta vs tors. theta energy: -162.331 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: 6 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1683.325285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.325285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.325285 (E_RNA) where: Base-Base interactions energy: -1189.605 where: short stacking energy: -477.115 Base-Backbone interact. energy: 1.226 local terms energy: -494.946905 where: bonds (distance) C4'-P energy: -92.753 bonds (distance) P-C4' energy: -88.177 flat angles C4'-P-C4' energy: -104.124 flat angles P-C4'-P energy: -69.794 tors. eta vs tors. theta energy: -140.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1559.587124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.587124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.587124 (E_RNA) where: Base-Base interactions energy: -1090.855 where: short stacking energy: -431.790 Base-Backbone interact. energy: 0.109 local terms energy: -468.840583 where: bonds (distance) C4'-P energy: -79.534 bonds (distance) P-C4' energy: -98.515 flat angles C4'-P-C4' energy: -103.707 flat angles P-C4'-P energy: -62.213 tors. eta vs tors. theta energy: -124.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1393.816852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.816852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.816852 (E_RNA) where: Base-Base interactions energy: -936.642 where: short stacking energy: -384.893 Base-Backbone interact. energy: -0.936 local terms energy: -456.238317 where: bonds (distance) C4'-P energy: -86.336 bonds (distance) P-C4' energy: -91.206 flat angles C4'-P-C4' energy: -103.910 flat angles P-C4'-P energy: -69.443 tors. eta vs tors. theta energy: -105.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1341.727919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.727919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.727919 (E_RNA) where: Base-Base interactions energy: -919.926 where: short stacking energy: -382.640 Base-Backbone interact. energy: -1.792 local terms energy: -420.009593 where: bonds (distance) C4'-P energy: -87.343 bonds (distance) P-C4' energy: -78.945 flat angles C4'-P-C4' energy: -93.504 flat angles P-C4'-P energy: -52.300 tors. eta vs tors. theta energy: -107.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1317.219505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.219505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.219505 (E_RNA) where: Base-Base interactions energy: -902.746 where: short stacking energy: -383.985 Base-Backbone interact. energy: -0.653 local terms energy: -413.820165 where: bonds (distance) C4'-P energy: -74.831 bonds (distance) P-C4' energy: -79.171 flat angles C4'-P-C4' energy: -96.416 flat angles P-C4'-P energy: -62.108 tors. eta vs tors. theta energy: -101.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1176.870063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.870063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.870063 (E_RNA) where: Base-Base interactions energy: -794.359 where: short stacking energy: -335.381 Base-Backbone interact. energy: -1.747 local terms energy: -380.764145 where: bonds (distance) C4'-P energy: -71.670 bonds (distance) P-C4' energy: -78.959 flat angles C4'-P-C4' energy: -89.886 flat angles P-C4'-P energy: -40.386 tors. eta vs tors. theta energy: -99.864 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: 9, replica: 10 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -812.792143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.792143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.792143 (E_RNA) where: Base-Base interactions energy: -503.062 where: short stacking energy: -226.902 Base-Backbone interact. energy: 1.515 local terms energy: -311.245152 where: bonds (distance) C4'-P energy: -88.769 bonds (distance) P-C4' energy: -75.420 flat angles C4'-P-C4' energy: -71.492 flat angles P-C4'-P energy: -30.276 tors. eta vs tors. theta energy: -45.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -631.787381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.787381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.787381 (E_RNA) where: Base-Base interactions energy: -334.861 where: short stacking energy: -168.956 Base-Backbone interact. energy: 2.148 local terms energy: -299.074175 where: bonds (distance) C4'-P energy: -85.072 bonds (distance) P-C4' energy: -79.223 flat angles C4'-P-C4' energy: -75.855 flat angles P-C4'-P energy: -42.884 tors. eta vs tors. theta energy: -16.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1799.751583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.751583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.751583 (E_RNA) where: Base-Base interactions energy: -1250.206 where: short stacking energy: -499.828 Base-Backbone interact. energy: -1.676 local terms energy: -547.869702 where: bonds (distance) C4'-P energy: -110.997 bonds (distance) P-C4' energy: -99.007 flat angles C4'-P-C4' energy: -115.956 flat angles P-C4'-P energy: -76.265 tors. eta vs tors. theta energy: -145.645 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: 2, replica: 3 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1725.782340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.782340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.782340 (E_RNA) where: Base-Base interactions energy: -1201.600 where: short stacking energy: -517.683 Base-Backbone interact. energy: -1.258 local terms energy: -522.924456 where: bonds (distance) C4'-P energy: -97.872 bonds (distance) P-C4' energy: -91.932 flat angles C4'-P-C4' energy: -109.079 flat angles P-C4'-P energy: -65.130 tors. eta vs tors. theta energy: -158.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1714.663005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.663005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.663005 (E_RNA) where: Base-Base interactions energy: -1196.563 where: short stacking energy: -470.675 Base-Backbone interact. energy: -1.993 local terms energy: -516.107198 where: bonds (distance) C4'-P energy: -86.581 bonds (distance) P-C4' energy: -98.735 flat angles C4'-P-C4' energy: -111.652 flat angles P-C4'-P energy: -77.052 tors. eta vs tors. theta energy: -142.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1544.514040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.514040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.514040 (E_RNA) where: Base-Base interactions energy: -1063.203 where: short stacking energy: -414.162 Base-Backbone interact. energy: -3.789 local terms energy: -477.522400 where: bonds (distance) C4'-P energy: -91.549 bonds (distance) P-C4' energy: -93.143 flat angles C4'-P-C4' energy: -105.726 flat angles P-C4'-P energy: -61.302 tors. eta vs tors. theta energy: -125.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -1416.659977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.659977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.659977 (E_RNA) where: Base-Base interactions energy: -974.725 where: short stacking energy: -420.881 Base-Backbone interact. energy: -2.706 local terms energy: -439.228789 where: bonds (distance) C4'-P energy: -95.188 bonds (distance) P-C4' energy: -70.571 flat angles C4'-P-C4' energy: -86.923 flat angles P-C4'-P energy: -64.560 tors. eta vs tors. theta energy: -121.986 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: 6, replica: 7 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1305.898271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.898271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.898271 (E_RNA) where: Base-Base interactions energy: -906.602 where: short stacking energy: -375.907 Base-Backbone interact. energy: -1.984 local terms energy: -397.312388 where: bonds (distance) C4'-P energy: -87.823 bonds (distance) P-C4' energy: -75.834 flat angles C4'-P-C4' energy: -83.954 flat angles P-C4'-P energy: -48.021 tors. eta vs tors. theta energy: -101.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1293.305396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.305396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.305396 (E_RNA) where: Base-Base interactions energy: -876.235 where: short stacking energy: -382.394 Base-Backbone interact. energy: 0.334 local terms energy: -417.404938 where: bonds (distance) C4'-P energy: -77.564 bonds (distance) P-C4' energy: -86.085 flat angles C4'-P-C4' energy: -96.194 flat angles P-C4'-P energy: -68.425 tors. eta vs tors. theta energy: -89.137 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: 8, replica: 2 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1207.311860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.311860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.311860 (E_RNA) where: Base-Base interactions energy: -797.049 where: short stacking energy: -351.894 Base-Backbone interact. energy: -1.259 local terms energy: -409.004322 where: bonds (distance) C4'-P energy: -79.595 bonds (distance) P-C4' energy: -93.302 flat angles C4'-P-C4' energy: -95.316 flat angles P-C4'-P energy: -40.748 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: 9, replica: 10 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -883.204229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.204229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.204229 (E_RNA) where: Base-Base interactions energy: -554.487 where: short stacking energy: -248.297 Base-Backbone interact. energy: 1.172 local terms energy: -329.889189 where: bonds (distance) C4'-P energy: -68.136 bonds (distance) P-C4' energy: -83.293 flat angles C4'-P-C4' energy: -80.171 flat angles P-C4'-P energy: -53.214 tors. eta vs tors. theta energy: -45.075 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: 140 Temperature: 1.350000 Total energy: -637.272463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.272463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.272463 (E_RNA) where: Base-Base interactions energy: -367.094 where: short stacking energy: -190.712 Base-Backbone interact. energy: 1.154 local terms energy: -271.332748 where: bonds (distance) C4'-P energy: -72.780 bonds (distance) P-C4' energy: -72.807 flat angles C4'-P-C4' energy: -66.365 flat angles P-C4'-P energy: -31.564 tors. eta vs tors. theta energy: -27.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1810.898814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.898814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.898814 (E_RNA) where: Base-Base interactions energy: -1273.804 where: short stacking energy: -523.232 Base-Backbone interact. energy: -0.821 local terms energy: -536.273615 where: bonds (distance) C4'-P energy: -98.365 bonds (distance) P-C4' energy: -104.420 flat angles C4'-P-C4' energy: -104.733 flat angles P-C4'-P energy: -77.394 tors. eta vs tors. theta energy: -151.362 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: 2, replica: 3 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1739.224429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.224429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.224429 (E_RNA) where: Base-Base interactions energy: -1226.774 where: short stacking energy: -506.329 Base-Backbone interact. energy: 5.405 local terms energy: -517.855834 where: bonds (distance) C4'-P energy: -91.969 bonds (distance) P-C4' energy: -91.740 flat angles C4'-P-C4' energy: -106.743 flat angles P-C4'-P energy: -72.576 tors. eta vs tors. theta energy: -154.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1714.682112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.682112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.682112 (E_RNA) where: Base-Base interactions energy: -1213.180 where: short stacking energy: -482.371 Base-Backbone interact. energy: -1.861 local terms energy: -499.640728 where: bonds (distance) C4'-P energy: -92.697 bonds (distance) P-C4' energy: -82.601 flat angles C4'-P-C4' energy: -106.188 flat angles P-C4'-P energy: -73.530 tors. eta vs tors. theta energy: -144.625 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: 4 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1572.936094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.936094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.936094 (E_RNA) where: Base-Base interactions energy: -1115.986 where: short stacking energy: -451.930 Base-Backbone interact. energy: 3.318 local terms energy: -460.268068 where: bonds (distance) C4'-P energy: -74.616 bonds (distance) P-C4' energy: -90.170 flat angles C4'-P-C4' energy: -100.688 flat angles P-C4'-P energy: -66.506 tors. eta vs tors. theta energy: -128.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -1410.881815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.881815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.881815 (E_RNA) where: Base-Base interactions energy: -979.543 where: short stacking energy: -400.709 Base-Backbone interact. energy: -0.698 local terms energy: -430.640565 where: bonds (distance) C4'-P energy: -82.939 bonds (distance) P-C4' energy: -82.495 flat angles C4'-P-C4' energy: -102.118 flat angles P-C4'-P energy: -56.983 tors. eta vs tors. theta energy: -106.106 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: 7 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1350.893645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.893645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.893645 (E_RNA) where: Base-Base interactions energy: -927.173 where: short stacking energy: -341.719 Base-Backbone interact. energy: -0.361 local terms energy: -423.360002 where: bonds (distance) C4'-P energy: -75.716 bonds (distance) P-C4' energy: -84.950 flat angles C4'-P-C4' energy: -102.209 flat angles P-C4'-P energy: -66.806 tors. eta vs tors. theta energy: -93.680 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: 5 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1234.967605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.967605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.967605 (E_RNA) where: Base-Base interactions energy: -821.195 where: short stacking energy: -366.587 Base-Backbone interact. energy: 0.372 local terms energy: -414.144601 where: bonds (distance) C4'-P energy: -85.995 bonds (distance) P-C4' energy: -81.319 flat angles C4'-P-C4' energy: -89.759 flat angles P-C4'-P energy: -57.437 tors. eta vs tors. theta energy: -99.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1130.208136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.208136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.208136 (E_RNA) where: Base-Base interactions energy: -747.583 where: short stacking energy: -324.910 Base-Backbone interact. energy: 2.235 local terms energy: -384.859628 where: bonds (distance) C4'-P energy: -83.236 bonds (distance) P-C4' energy: -64.327 flat angles C4'-P-C4' energy: -92.584 flat angles P-C4'-P energy: -60.086 tors. eta vs tors. theta energy: -84.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -877.533465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.533465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.533465 (E_RNA) where: Base-Base interactions energy: -553.044 where: short stacking energy: -241.142 Base-Backbone interact. energy: 0.843 local terms energy: -325.332548 where: bonds (distance) C4'-P energy: -71.396 bonds (distance) P-C4' energy: -70.824 flat angles C4'-P-C4' energy: -77.646 flat angles P-C4'-P energy: -52.720 tors. eta vs tors. theta energy: -52.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -640.852574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.852574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.852574 (E_RNA) where: Base-Base interactions energy: -361.016 where: short stacking energy: -189.406 Base-Backbone interact. energy: 10.054 local terms energy: -289.891153 where: bonds (distance) C4'-P energy: -73.028 bonds (distance) P-C4' energy: -78.479 flat angles C4'-P-C4' energy: -55.926 flat angles P-C4'-P energy: -54.566 tors. eta vs tors. theta energy: -27.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1771.983468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.983468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.983468 (E_RNA) where: Base-Base interactions energy: -1259.210 where: short stacking energy: -515.591 Base-Backbone interact. energy: 2.704 local terms energy: -515.478035 where: bonds (distance) C4'-P energy: -91.528 bonds (distance) P-C4' energy: -90.785 flat angles C4'-P-C4' energy: -115.187 flat angles P-C4'-P energy: -63.825 tors. eta vs tors. theta energy: -154.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1772.186099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.186099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.186099 (E_RNA) where: Base-Base interactions energy: -1234.849 where: short stacking energy: -512.275 Base-Backbone interact. energy: -0.741 local terms energy: -536.596254 where: bonds (distance) C4'-P energy: -91.652 bonds (distance) P-C4' energy: -98.521 flat angles C4'-P-C4' energy: -111.908 flat angles P-C4'-P energy: -74.082 tors. eta vs tors. theta energy: -160.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1713.048813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.048813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.048813 (E_RNA) where: Base-Base interactions energy: -1213.244 where: short stacking energy: -489.280 Base-Backbone interact. energy: 1.053 local terms energy: -500.858281 where: bonds (distance) C4'-P energy: -81.005 bonds (distance) P-C4' energy: -89.094 flat angles C4'-P-C4' energy: -109.387 flat angles P-C4'-P energy: -75.318 tors. eta vs tors. theta energy: -146.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1564.690893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.690893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.690893 (E_RNA) where: Base-Base interactions energy: -1107.064 where: short stacking energy: -429.664 Base-Backbone interact. energy: 1.367 local terms energy: -458.994257 where: bonds (distance) C4'-P energy: -87.679 bonds (distance) P-C4' energy: -78.045 flat angles C4'-P-C4' energy: -95.765 flat angles P-C4'-P energy: -72.533 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: 5, replica: 9 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1447.130644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.130644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.130644 (E_RNA) where: Base-Base interactions energy: -981.260 where: short stacking energy: -413.900 Base-Backbone interact. energy: 0.296 local terms energy: -466.165934 where: bonds (distance) C4'-P energy: -88.638 bonds (distance) P-C4' energy: -90.491 flat angles C4'-P-C4' energy: -89.575 flat angles P-C4'-P energy: -72.106 tors. eta vs tors. theta energy: -125.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1289.907211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.907211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.907211 (E_RNA) where: Base-Base interactions energy: -881.081 where: short stacking energy: -360.900 Base-Backbone interact. energy: -1.717 local terms energy: -407.109306 where: bonds (distance) C4'-P energy: -90.137 bonds (distance) P-C4' energy: -87.580 flat angles C4'-P-C4' energy: -93.707 flat angles P-C4'-P energy: -46.141 tors. eta vs tors. theta energy: -89.545 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: 5 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1256.515248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.515248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.515248 (E_RNA) where: Base-Base interactions energy: -836.757 where: short stacking energy: -355.031 Base-Backbone interact. energy: 1.695 local terms energy: -421.453363 where: bonds (distance) C4'-P energy: -81.762 bonds (distance) P-C4' energy: -86.861 flat angles C4'-P-C4' energy: -90.091 flat angles P-C4'-P energy: -59.154 tors. eta vs tors. theta energy: -103.586 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: 2 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1076.175030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.175030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.175030 (E_RNA) where: Base-Base interactions energy: -689.662 where: short stacking energy: -276.785 Base-Backbone interact. energy: 1.593 local terms energy: -388.106593 where: bonds (distance) C4'-P energy: -85.270 bonds (distance) P-C4' energy: -90.733 flat angles C4'-P-C4' energy: -83.377 flat angles P-C4'-P energy: -59.484 tors. eta vs tors. theta energy: -69.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -975.503430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.503430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.503430 (E_RNA) where: Base-Base interactions energy: -616.977 where: short stacking energy: -280.191 Base-Backbone interact. energy: -0.835 local terms energy: -357.691760 where: bonds (distance) C4'-P energy: -76.680 bonds (distance) P-C4' energy: -93.262 flat angles C4'-P-C4' energy: -82.375 flat angles P-C4'-P energy: -50.704 tors. eta vs tors. theta energy: -54.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -615.938207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.938207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.938207 (E_RNA) where: Base-Base interactions energy: -305.163 where: short stacking energy: -171.726 Base-Backbone interact. energy: -0.620 local terms energy: -310.155021 where: bonds (distance) C4'-P energy: -89.270 bonds (distance) P-C4' energy: -89.034 flat angles C4'-P-C4' energy: -75.814 flat angles P-C4'-P energy: -40.856 tors. eta vs tors. theta energy: -15.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1790.934005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.934005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.934005 (E_RNA) where: Base-Base interactions energy: -1251.331 where: short stacking energy: -497.669 Base-Backbone interact. energy: -2.495 local terms energy: -537.107933 where: bonds (distance) C4'-P energy: -91.703 bonds (distance) P-C4' energy: -98.849 flat angles C4'-P-C4' energy: -113.386 flat angles P-C4'-P energy: -79.554 tors. eta vs tors. theta energy: -153.616 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: 3 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1768.630107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.630107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.630107 (E_RNA) where: Base-Base interactions energy: -1241.097 where: short stacking energy: -509.502 Base-Backbone interact. energy: -2.225 local terms energy: -525.308319 where: bonds (distance) C4'-P energy: -90.967 bonds (distance) P-C4' energy: -100.643 flat angles C4'-P-C4' energy: -107.972 flat angles P-C4'-P energy: -69.659 tors. eta vs tors. theta energy: -156.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1700.530790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.530790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.530790 (E_RNA) where: Base-Base interactions energy: -1188.588 where: short stacking energy: -486.227 Base-Backbone interact. energy: -0.974 local terms energy: -510.969285 where: bonds (distance) C4'-P energy: -85.673 bonds (distance) P-C4' energy: -100.792 flat angles C4'-P-C4' energy: -106.482 flat angles P-C4'-P energy: -72.065 tors. eta vs tors. theta energy: -145.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -1534.793489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.793489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.793489 (E_RNA) where: Base-Base interactions energy: -1085.047 where: short stacking energy: -421.711 Base-Backbone interact. energy: -2.935 local terms energy: -446.811113 where: bonds (distance) C4'-P energy: -78.408 bonds (distance) P-C4' energy: -85.007 flat angles C4'-P-C4' energy: -96.670 flat angles P-C4'-P energy: -68.459 tors. eta vs tors. theta energy: -118.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1431.246699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.246699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.246699 (E_RNA) where: Base-Base interactions energy: -954.769 where: short stacking energy: -405.218 Base-Backbone interact. energy: -1.580 local terms energy: -474.898366 where: bonds (distance) C4'-P energy: -95.741 bonds (distance) P-C4' energy: -91.559 flat angles C4'-P-C4' energy: -92.810 flat angles P-C4'-P energy: -65.242 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: 6, replica: 7 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1289.807017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.807017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.807017 (E_RNA) where: Base-Base interactions energy: -862.001 where: short stacking energy: -351.752 Base-Backbone interact. energy: 2.244 local terms energy: -430.049949 where: bonds (distance) C4'-P energy: -96.806 bonds (distance) P-C4' energy: -93.394 flat angles C4'-P-C4' energy: -90.898 flat angles P-C4'-P energy: -58.288 tors. eta vs tors. theta energy: -90.663 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: 5 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1255.350397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.350397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.350397 (E_RNA) where: Base-Base interactions energy: -834.981 where: short stacking energy: -354.290 Base-Backbone interact. energy: -1.449 local terms energy: -418.919739 where: bonds (distance) C4'-P energy: -82.857 bonds (distance) P-C4' energy: -82.081 flat angles C4'-P-C4' energy: -93.952 flat angles P-C4'-P energy: -62.801 tors. eta vs tors. theta energy: -97.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1012.611717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.611717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.611717 (E_RNA) where: Base-Base interactions energy: -663.114 where: short stacking energy: -293.611 Base-Backbone interact. energy: 0.656 local terms energy: -350.153897 where: bonds (distance) C4'-P energy: -76.130 bonds (distance) P-C4' energy: -80.621 flat angles C4'-P-C4' energy: -84.529 flat angles P-C4'-P energy: -55.362 tors. eta vs tors. theta energy: -53.512 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: 2 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -974.102903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.102903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.102903 (E_RNA) where: Base-Base interactions energy: -652.632 where: short stacking energy: -288.095 Base-Backbone interact. energy: -0.605 local terms energy: -320.866402 where: bonds (distance) C4'-P energy: -58.306 bonds (distance) P-C4' energy: -79.244 flat angles C4'-P-C4' energy: -81.079 flat angles P-C4'-P energy: -41.583 tors. eta vs tors. theta energy: -60.654 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: 143 Temperature: 1.350000 Total energy: -618.684257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.684257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.684257 (E_RNA) where: Base-Base interactions energy: -328.289 where: short stacking energy: -166.718 Base-Backbone interact. energy: -1.044 local terms energy: -289.351207 where: bonds (distance) C4'-P energy: -73.182 bonds (distance) P-C4' energy: -85.434 flat angles C4'-P-C4' energy: -69.170 flat angles P-C4'-P energy: -48.171 tors. eta vs tors. theta energy: -13.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1808.802396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.802396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.802396 (E_RNA) where: Base-Base interactions energy: -1258.961 where: short stacking energy: -507.283 Base-Backbone interact. energy: -1.615 local terms energy: -548.226417 where: bonds (distance) C4'-P energy: -97.760 bonds (distance) P-C4' energy: -91.458 flat angles C4'-P-C4' energy: -118.046 flat angles P-C4'-P energy: -88.790 tors. eta vs tors. theta energy: -152.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1751.441870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.441870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.441870 (E_RNA) where: Base-Base interactions energy: -1235.136 where: short stacking energy: -520.587 Base-Backbone interact. energy: 0.953 local terms energy: -517.259611 where: bonds (distance) C4'-P energy: -84.650 bonds (distance) P-C4' energy: -93.689 flat angles C4'-P-C4' energy: -109.582 flat angles P-C4'-P energy: -66.591 tors. eta vs tors. theta energy: -162.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1662.320416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.320416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.320416 (E_RNA) where: Base-Base interactions energy: -1168.334 where: short stacking energy: -459.006 Base-Backbone interact. energy: 5.182 local terms energy: -499.168021 where: bonds (distance) C4'-P energy: -91.031 bonds (distance) P-C4' energy: -100.116 flat angles C4'-P-C4' energy: -102.061 flat angles P-C4'-P energy: -71.715 tors. eta vs tors. theta energy: -134.245 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: 4 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1545.285366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.285366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.285366 (E_RNA) where: Base-Base interactions energy: -1117.460 where: short stacking energy: -426.178 Base-Backbone interact. energy: 0.475 local terms energy: -428.300752 where: bonds (distance) C4'-P energy: -72.433 bonds (distance) P-C4' energy: -82.301 flat angles C4'-P-C4' energy: -99.528 flat angles P-C4'-P energy: -56.266 tors. eta vs tors. theta energy: -117.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -1415.208175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.208175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.208175 (E_RNA) where: Base-Base interactions energy: -949.196 where: short stacking energy: -410.991 Base-Backbone interact. energy: 0.219 local terms energy: -466.230474 where: bonds (distance) C4'-P energy: -93.246 bonds (distance) P-C4' energy: -97.044 flat angles C4'-P-C4' energy: -98.058 flat angles P-C4'-P energy: -64.011 tors. eta vs tors. theta energy: -113.871 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: 7 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1287.292012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.292012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.292012 (E_RNA) where: Base-Base interactions energy: -850.743 where: short stacking energy: -357.522 Base-Backbone interact. energy: 0.948 local terms energy: -437.497070 where: bonds (distance) C4'-P energy: -85.962 bonds (distance) P-C4' energy: -78.040 flat angles C4'-P-C4' energy: -102.174 flat angles P-C4'-P energy: -65.901 tors. eta vs tors. theta energy: -105.419 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: 5 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1235.305732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.305732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.305732 (E_RNA) where: Base-Base interactions energy: -816.299 where: short stacking energy: -339.575 Base-Backbone interact. energy: 0.319 local terms energy: -419.325373 where: bonds (distance) C4'-P energy: -86.839 bonds (distance) P-C4' energy: -97.001 flat angles C4'-P-C4' energy: -89.772 flat angles P-C4'-P energy: -61.224 tors. eta vs tors. theta energy: -84.490 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: 8, replica: 10 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1044.870782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.870782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.870782 (E_RNA) where: Base-Base interactions energy: -669.328 where: short stacking energy: -298.777 Base-Backbone interact. energy: 1.518 local terms energy: -377.059999 where: bonds (distance) C4'-P energy: -77.107 bonds (distance) P-C4' energy: -85.451 flat angles C4'-P-C4' energy: -92.679 flat angles P-C4'-P energy: -50.745 tors. eta vs tors. theta energy: -71.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -992.186519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.186519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.186519 (E_RNA) where: Base-Base interactions energy: -641.312 where: short stacking energy: -290.396 Base-Backbone interact. energy: -2.652 local terms energy: -348.222503 where: bonds (distance) C4'-P energy: -59.965 bonds (distance) P-C4' energy: -87.723 flat angles C4'-P-C4' energy: -79.841 flat angles P-C4'-P energy: -52.444 tors. eta vs tors. theta energy: -68.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -701.241730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.241730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.241730 (E_RNA) where: Base-Base interactions energy: -415.891 where: short stacking energy: -204.950 Base-Backbone interact. energy: 0.792 local terms energy: -286.143398 where: bonds (distance) C4'-P energy: -70.871 bonds (distance) P-C4' energy: -75.313 flat angles C4'-P-C4' energy: -70.292 flat angles P-C4'-P energy: -55.123 tors. eta vs tors. theta energy: -14.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1803.573610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.573610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.573610 (E_RNA) where: Base-Base interactions energy: -1265.209 where: short stacking energy: -512.347 Base-Backbone interact. energy: -3.080 local terms energy: -535.284948 where: bonds (distance) C4'-P energy: -89.169 bonds (distance) P-C4' energy: -96.143 flat angles C4'-P-C4' energy: -112.511 flat angles P-C4'-P energy: -81.820 tors. eta vs tors. theta energy: -155.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1764.476713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.476713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.476713 (E_RNA) where: Base-Base interactions energy: -1231.809 where: short stacking energy: -519.261 Base-Backbone interact. energy: -1.029 local terms energy: -531.638851 where: bonds (distance) C4'-P energy: -86.850 bonds (distance) P-C4' energy: -102.763 flat angles C4'-P-C4' energy: -107.182 flat angles P-C4'-P energy: -76.740 tors. eta vs tors. theta energy: -158.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1717.730973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.730973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.730973 (E_RNA) where: Base-Base interactions energy: -1204.988 where: short stacking energy: -485.621 Base-Backbone interact. energy: -1.188 local terms energy: -511.554303 where: bonds (distance) C4'-P energy: -90.510 bonds (distance) P-C4' energy: -94.573 flat angles C4'-P-C4' energy: -105.364 flat angles P-C4'-P energy: -74.573 tors. eta vs tors. theta energy: -146.534 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: 4 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1528.649715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.649715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.649715 (E_RNA) where: Base-Base interactions energy: -1064.365 where: short stacking energy: -427.898 Base-Backbone interact. energy: 1.357 local terms energy: -465.641177 where: bonds (distance) C4'-P energy: -85.840 bonds (distance) P-C4' energy: -89.452 flat angles C4'-P-C4' energy: -99.696 flat angles P-C4'-P energy: -65.017 tors. eta vs tors. theta energy: -125.637 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: 9 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1423.746320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.746320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.746320 (E_RNA) where: Base-Base interactions energy: -990.363 where: short stacking energy: -425.079 Base-Backbone interact. energy: -1.955 local terms energy: -431.428345 where: bonds (distance) C4'-P energy: -73.007 bonds (distance) P-C4' energy: -90.543 flat angles C4'-P-C4' energy: -92.900 flat angles P-C4'-P energy: -56.495 tors. eta vs tors. theta energy: -118.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1340.120456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.120456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.120456 (E_RNA) where: Base-Base interactions energy: -907.728 where: short stacking energy: -366.967 Base-Backbone interact. energy: -1.126 local terms energy: -431.266436 where: bonds (distance) C4'-P energy: -89.470 bonds (distance) P-C4' energy: -85.041 flat angles C4'-P-C4' energy: -97.960 flat angles P-C4'-P energy: -56.198 tors. eta vs tors. theta energy: -102.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1188.875152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.875152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.875152 (E_RNA) where: Base-Base interactions energy: -801.562 where: short stacking energy: -330.131 Base-Backbone interact. energy: -2.064 local terms energy: -385.249301 where: bonds (distance) C4'-P energy: -60.810 bonds (distance) P-C4' energy: -92.398 flat angles C4'-P-C4' energy: -86.197 flat angles P-C4'-P energy: -59.294 tors. eta vs tors. theta energy: -86.550 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: 10 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1072.148460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.148460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.148460 (E_RNA) where: Base-Base interactions energy: -706.817 where: short stacking energy: -308.663 Base-Backbone interact. energy: 1.635 local terms energy: -366.966367 where: bonds (distance) C4'-P energy: -77.294 bonds (distance) P-C4' energy: -80.045 flat angles C4'-P-C4' energy: -80.528 flat angles P-C4'-P energy: -42.941 tors. eta vs tors. theta energy: -86.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -1016.158240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.158240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.158240 (E_RNA) where: Base-Base interactions energy: -676.205 where: short stacking energy: -299.741 Base-Backbone interact. energy: -2.427 local terms energy: -337.525933 where: bonds (distance) C4'-P energy: -64.910 bonds (distance) P-C4' energy: -82.688 flat angles C4'-P-C4' energy: -83.946 flat angles P-C4'-P energy: -33.976 tors. eta vs tors. theta energy: -72.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -714.762155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.762155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.762155 (E_RNA) where: Base-Base interactions energy: -421.863 where: short stacking energy: -191.493 Base-Backbone interact. energy: 1.161 local terms energy: -294.059679 where: bonds (distance) C4'-P energy: -74.508 bonds (distance) P-C4' energy: -92.840 flat angles C4'-P-C4' energy: -75.110 flat angles P-C4'-P energy: -35.411 tors. eta vs tors. theta energy: -16.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1805.373914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.373914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.373914 (E_RNA) where: Base-Base interactions energy: -1271.567 where: short stacking energy: -525.803 Base-Backbone interact. energy: -2.615 local terms energy: -531.191069 where: bonds (distance) C4'-P energy: -93.611 bonds (distance) P-C4' energy: -93.110 flat angles C4'-P-C4' energy: -108.807 flat angles P-C4'-P energy: -69.940 tors. eta vs tors. theta energy: -165.723 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: 1 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1775.780844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.780844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.780844 (E_RNA) where: Base-Base interactions energy: -1260.079 where: short stacking energy: -501.437 Base-Backbone interact. energy: -0.598 local terms energy: -515.103317 where: bonds (distance) C4'-P energy: -87.902 bonds (distance) P-C4' energy: -90.053 flat angles C4'-P-C4' energy: -109.073 flat angles P-C4'-P energy: -77.867 tors. eta vs tors. theta energy: -150.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1688.646419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.646419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.646419 (E_RNA) where: Base-Base interactions energy: -1209.340 where: short stacking energy: -472.339 Base-Backbone interact. energy: -1.710 local terms energy: -477.596984 where: bonds (distance) C4'-P energy: -87.198 bonds (distance) P-C4' energy: -97.056 flat angles C4'-P-C4' energy: -97.642 flat angles P-C4'-P energy: -65.397 tors. eta vs tors. theta energy: -130.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1527.974812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.974812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.974812 (E_RNA) where: Base-Base interactions energy: -1071.439 where: short stacking energy: -406.662 Base-Backbone interact. energy: 1.772 local terms energy: -458.307776 where: bonds (distance) C4'-P energy: -80.182 bonds (distance) P-C4' energy: -98.999 flat angles C4'-P-C4' energy: -104.699 flat angles P-C4'-P energy: -61.589 tors. eta vs tors. theta energy: -112.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1412.139285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.139285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.139285 (E_RNA) where: Base-Base interactions energy: -959.461 where: short stacking energy: -413.876 Base-Backbone interact. energy: -0.930 local terms energy: -451.748415 where: bonds (distance) C4'-P energy: -88.718 bonds (distance) P-C4' energy: -84.105 flat angles C4'-P-C4' energy: -103.928 flat angles P-C4'-P energy: -59.176 tors. eta vs tors. theta energy: -115.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1300.851204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.851204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.851204 (E_RNA) where: Base-Base interactions energy: -866.754 where: short stacking energy: -371.460 Base-Backbone interact. energy: -0.881 local terms energy: -433.215958 where: bonds (distance) C4'-P energy: -84.024 bonds (distance) P-C4' energy: -95.519 flat angles C4'-P-C4' energy: -83.032 flat angles P-C4'-P energy: -72.630 tors. eta vs tors. theta energy: -98.012 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: 7 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1158.647699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.647699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.647699 (E_RNA) where: Base-Base interactions energy: -773.932 where: short stacking energy: -319.687 Base-Backbone interact. energy: -1.995 local terms energy: -382.721349 where: bonds (distance) C4'-P energy: -67.305 bonds (distance) P-C4' energy: -87.529 flat angles C4'-P-C4' energy: -88.863 flat angles P-C4'-P energy: -53.972 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: 8, replica: 10 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1087.041243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.041243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.041243 (E_RNA) where: Base-Base interactions energy: -710.266 where: short stacking energy: -319.331 Base-Backbone interact. energy: -0.962 local terms energy: -375.813522 where: bonds (distance) C4'-P energy: -72.146 bonds (distance) P-C4' energy: -83.437 flat angles C4'-P-C4' energy: -84.356 flat angles P-C4'-P energy: -64.233 tors. eta vs tors. theta energy: -71.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -1020.000627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.000627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.000627 (E_RNA) where: Base-Base interactions energy: -658.357 where: short stacking energy: -277.009 Base-Backbone interact. energy: 3.241 local terms energy: -364.885110 where: bonds (distance) C4'-P energy: -94.579 bonds (distance) P-C4' energy: -79.828 flat angles C4'-P-C4' energy: -90.524 flat angles P-C4'-P energy: -44.994 tors. eta vs tors. theta energy: -54.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -711.137754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.137754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.137754 (E_RNA) where: Base-Base interactions energy: -410.935 where: short stacking energy: -180.095 Base-Backbone interact. energy: -0.936 local terms energy: -299.267415 where: bonds (distance) C4'-P energy: -62.970 bonds (distance) P-C4' energy: -77.503 flat angles C4'-P-C4' energy: -73.213 flat angles P-C4'-P energy: -62.978 tors. eta vs tors. theta energy: -22.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1784.000835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.000835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.000835 (E_RNA) where: Base-Base interactions energy: -1249.697 where: short stacking energy: -513.646 Base-Backbone interact. energy: -0.458 local terms energy: -533.845894 where: bonds (distance) C4'-P energy: -94.333 bonds (distance) P-C4' energy: -95.923 flat angles C4'-P-C4' energy: -112.694 flat angles P-C4'-P energy: -70.255 tors. eta vs tors. theta energy: -160.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1788.784932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.784932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.784932 (E_RNA) where: Base-Base interactions energy: -1263.547 where: short stacking energy: -504.019 Base-Backbone interact. energy: -1.797 local terms energy: -523.441639 where: bonds (distance) C4'-P energy: -92.591 bonds (distance) P-C4' energy: -98.923 flat angles C4'-P-C4' energy: -113.076 flat angles P-C4'-P energy: -65.270 tors. eta vs tors. theta energy: -153.582 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: 3, replica: 6 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1710.969864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.969864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.969864 (E_RNA) where: Base-Base interactions energy: -1210.704 where: short stacking energy: -479.646 Base-Backbone interact. energy: -0.205 local terms energy: -500.060566 where: bonds (distance) C4'-P energy: -98.863 bonds (distance) P-C4' energy: -84.870 flat angles C4'-P-C4' energy: -109.851 flat angles P-C4'-P energy: -63.452 tors. eta vs tors. theta energy: -143.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1535.731151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.731151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.731151 (E_RNA) where: Base-Base interactions energy: -1066.785 where: short stacking energy: -424.981 Base-Backbone interact. energy: 1.702 local terms energy: -470.647363 where: bonds (distance) C4'-P energy: -88.188 bonds (distance) P-C4' energy: -86.705 flat angles C4'-P-C4' energy: -96.444 flat angles P-C4'-P energy: -77.545 tors. eta vs tors. theta energy: -121.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -1406.451691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.451691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.451691 (E_RNA) where: Base-Base interactions energy: -960.679 where: short stacking energy: -415.347 Base-Backbone interact. energy: -1.804 local terms energy: -443.968882 where: bonds (distance) C4'-P energy: -82.973 bonds (distance) P-C4' energy: -85.779 flat angles C4'-P-C4' energy: -83.424 flat angles P-C4'-P energy: -58.287 tors. eta vs tors. theta energy: -133.505 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: 5 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1272.099397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.099397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.099397 (E_RNA) where: Base-Base interactions energy: -848.453 where: short stacking energy: -347.390 Base-Backbone interact. energy: -0.334 local terms energy: -423.312753 where: bonds (distance) C4'-P energy: -84.140 bonds (distance) P-C4' energy: -89.548 flat angles C4'-P-C4' energy: -97.171 flat angles P-C4'-P energy: -58.538 tors. eta vs tors. theta energy: -93.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1130.087497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.087497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.087497 (E_RNA) where: Base-Base interactions energy: -751.029 where: short stacking energy: -325.272 Base-Backbone interact. energy: -2.837 local terms energy: -376.221404 where: bonds (distance) C4'-P energy: -78.068 bonds (distance) P-C4' energy: -84.612 flat angles C4'-P-C4' energy: -87.007 flat angles P-C4'-P energy: -47.137 tors. eta vs tors. theta energy: -79.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1106.424610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.424610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.424610 (E_RNA) where: Base-Base interactions energy: -732.062 where: short stacking energy: -317.830 Base-Backbone interact. energy: -1.298 local terms energy: -373.064447 where: bonds (distance) C4'-P energy: -76.875 bonds (distance) P-C4' energy: -73.008 flat angles C4'-P-C4' energy: -83.052 flat angles P-C4'-P energy: -65.765 tors. eta vs tors. theta energy: -74.364 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: 2 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -1025.626767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.626767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.626767 (E_RNA) where: Base-Base interactions energy: -660.155 where: short stacking energy: -286.682 Base-Backbone interact. energy: -1.625 local terms energy: -363.846685 where: bonds (distance) C4'-P energy: -82.148 bonds (distance) P-C4' energy: -91.584 flat angles C4'-P-C4' energy: -76.373 flat angles P-C4'-P energy: -43.871 tors. eta vs tors. theta energy: -69.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -713.583320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.583320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.583320 (E_RNA) where: Base-Base interactions energy: -406.898 where: short stacking energy: -201.440 Base-Backbone interact. energy: -2.719 local terms energy: -303.967008 where: bonds (distance) C4'-P energy: -82.875 bonds (distance) P-C4' energy: -66.271 flat angles C4'-P-C4' energy: -69.970 flat angles P-C4'-P energy: -47.889 tors. eta vs tors. theta energy: -36.961 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: 1 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1806.303952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.303952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.303952 (E_RNA) where: Base-Base interactions energy: -1248.571 where: short stacking energy: -505.655 Base-Backbone interact. energy: -0.097 local terms energy: -557.635671 where: bonds (distance) C4'-P energy: -92.544 bonds (distance) P-C4' energy: -101.495 flat angles C4'-P-C4' energy: -119.948 flat angles P-C4'-P energy: -84.774 tors. eta vs tors. theta energy: -158.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1750.805369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.805369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.805369 (E_RNA) where: Base-Base interactions energy: -1209.277 where: short stacking energy: -501.280 Base-Backbone interact. energy: 1.188 local terms energy: -542.716229 where: bonds (distance) C4'-P energy: -96.666 bonds (distance) P-C4' energy: -92.070 flat angles C4'-P-C4' energy: -112.016 flat angles P-C4'-P energy: -79.161 tors. eta vs tors. theta energy: -162.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1704.003485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.003485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.003485 (E_RNA) where: Base-Base interactions energy: -1197.452 where: short stacking energy: -480.920 Base-Backbone interact. energy: -0.569 local terms energy: -505.982853 where: bonds (distance) C4'-P energy: -90.373 bonds (distance) P-C4' energy: -98.006 flat angles C4'-P-C4' energy: -108.407 flat angles P-C4'-P energy: -74.712 tors. eta vs tors. theta energy: -134.484 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: 4 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1537.317808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.317808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.317808 (E_RNA) where: Base-Base interactions energy: -1067.988 where: short stacking energy: -413.723 Base-Backbone interact. energy: 2.995 local terms energy: -472.325010 where: bonds (distance) C4'-P energy: -91.385 bonds (distance) P-C4' energy: -97.858 flat angles C4'-P-C4' energy: -96.933 flat angles P-C4'-P energy: -67.373 tors. eta vs tors. theta energy: -118.776 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: 9 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1435.560281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.560281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.560281 (E_RNA) where: Base-Base interactions energy: -990.074 where: short stacking energy: -426.284 Base-Backbone interact. energy: 2.437 local terms energy: -447.923986 where: bonds (distance) C4'-P energy: -85.873 bonds (distance) P-C4' energy: -84.331 flat angles C4'-P-C4' energy: -93.708 flat angles P-C4'-P energy: -68.681 tors. eta vs tors. theta energy: -115.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1284.314071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.314071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.314071 (E_RNA) where: Base-Base interactions energy: -845.229 where: short stacking energy: -379.956 Base-Backbone interact. energy: -1.556 local terms energy: -437.528921 where: bonds (distance) C4'-P energy: -74.261 bonds (distance) P-C4' energy: -79.857 flat angles C4'-P-C4' energy: -103.631 flat angles P-C4'-P energy: -68.735 tors. eta vs tors. theta energy: -111.044 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: 7 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1132.411185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.411185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.411185 (E_RNA) where: Base-Base interactions energy: -747.403 where: short stacking energy: -315.701 Base-Backbone interact. energy: -0.334 local terms energy: -384.673781 where: bonds (distance) C4'-P energy: -76.812 bonds (distance) P-C4' energy: -79.513 flat angles C4'-P-C4' energy: -92.601 flat angles P-C4'-P energy: -56.778 tors. eta vs tors. theta energy: -78.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1149.680827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.680827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.680827 (E_RNA) where: Base-Base interactions energy: -728.815 where: short stacking energy: -304.345 Base-Backbone interact. energy: -1.240 local terms energy: -419.625787 where: bonds (distance) C4'-P energy: -79.154 bonds (distance) P-C4' energy: -93.193 flat angles C4'-P-C4' energy: -93.927 flat angles P-C4'-P energy: -63.289 tors. eta vs tors. theta energy: -90.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -1017.242338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.242338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.242338 (E_RNA) where: Base-Base interactions energy: -653.498 where: short stacking energy: -281.782 Base-Backbone interact. energy: -0.055 local terms energy: -363.689150 where: bonds (distance) C4'-P energy: -81.445 bonds (distance) P-C4' energy: -82.777 flat angles C4'-P-C4' energy: -72.601 flat angles P-C4'-P energy: -50.508 tors. eta vs tors. theta energy: -76.358 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: 10, replica: 8 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -759.334048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.334048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.334048 (E_RNA) where: Base-Base interactions energy: -483.163 where: short stacking energy: -204.930 Base-Backbone interact. energy: 1.393 local terms energy: -277.563819 where: bonds (distance) C4'-P energy: -62.139 bonds (distance) P-C4' energy: -80.860 flat angles C4'-P-C4' energy: -77.643 flat angles P-C4'-P energy: -31.040 tors. eta vs tors. theta energy: -25.882 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: 1 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1834.807214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.807214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.807214 (E_RNA) where: Base-Base interactions energy: -1281.658 where: short stacking energy: -520.447 Base-Backbone interact. energy: -0.449 local terms energy: -552.700053 where: bonds (distance) C4'-P energy: -105.687 bonds (distance) P-C4' energy: -103.773 flat angles C4'-P-C4' energy: -112.967 flat angles P-C4'-P energy: -76.029 tors. eta vs tors. theta energy: -154.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1775.306761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.306761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.306761 (E_RNA) where: Base-Base interactions energy: -1216.443 where: short stacking energy: -505.877 Base-Backbone interact. energy: -2.220 local terms energy: -556.644013 where: bonds (distance) C4'-P energy: -100.837 bonds (distance) P-C4' energy: -102.623 flat angles C4'-P-C4' energy: -106.935 flat angles P-C4'-P energy: -87.826 tors. eta vs tors. theta energy: -158.423 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: 6 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1701.823365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.823365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.823365 (E_RNA) where: Base-Base interactions energy: -1203.944 where: short stacking energy: -488.146 Base-Backbone interact. energy: -2.671 local terms energy: -495.207715 where: bonds (distance) C4'-P energy: -75.225 bonds (distance) P-C4' energy: -85.304 flat angles C4'-P-C4' energy: -104.871 flat angles P-C4'-P energy: -72.958 tors. eta vs tors. theta energy: -156.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1481.742594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.742594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.742594 (E_RNA) where: Base-Base interactions energy: -1003.506 where: short stacking energy: -413.176 Base-Backbone interact. energy: 2.752 local terms energy: -480.988584 where: bonds (distance) C4'-P energy: -83.765 bonds (distance) P-C4' energy: -94.574 flat angles C4'-P-C4' energy: -109.389 flat angles P-C4'-P energy: -71.334 tors. eta vs tors. theta energy: -121.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -1492.200154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.200154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.200154 (E_RNA) where: Base-Base interactions energy: -1059.318 where: short stacking energy: -433.138 Base-Backbone interact. energy: 1.155 local terms energy: -434.036506 where: bonds (distance) C4'-P energy: -74.793 bonds (distance) P-C4' energy: -73.547 flat angles C4'-P-C4' energy: -89.230 flat angles P-C4'-P energy: -70.603 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: 6, replica: 5 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1306.715567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.715567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.715567 (E_RNA) where: Base-Base interactions energy: -885.665 where: short stacking energy: -357.618 Base-Backbone interact. energy: -1.443 local terms energy: -419.606847 where: bonds (distance) C4'-P energy: -71.276 bonds (distance) P-C4' energy: -82.833 flat angles C4'-P-C4' energy: -104.064 flat angles P-C4'-P energy: -52.062 tors. eta vs tors. theta energy: -109.371 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: 7 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1211.661576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.661576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.661576 (E_RNA) where: Base-Base interactions energy: -797.916 where: short stacking energy: -355.493 Base-Backbone interact. energy: 1.854 local terms energy: -415.598748 where: bonds (distance) C4'-P energy: -88.707 bonds (distance) P-C4' energy: -87.102 flat angles C4'-P-C4' energy: -93.354 flat angles P-C4'-P energy: -52.950 tors. eta vs tors. theta energy: -93.486 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: 10 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1161.375252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.375252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.375252 (E_RNA) where: Base-Base interactions energy: -795.019 where: short stacking energy: -331.083 Base-Backbone interact. energy: -0.150 local terms energy: -366.205467 where: bonds (distance) C4'-P energy: -64.114 bonds (distance) P-C4' energy: -84.302 flat angles C4'-P-C4' energy: -72.943 flat angles P-C4'-P energy: -54.442 tors. eta vs tors. theta energy: -90.403 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: 2 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -973.259822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.259822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.259822 (E_RNA) where: Base-Base interactions energy: -633.110 where: short stacking energy: -248.202 Base-Backbone interact. energy: 1.206 local terms energy: -341.356413 where: bonds (distance) C4'-P energy: -91.710 bonds (distance) P-C4' energy: -88.635 flat angles C4'-P-C4' energy: -64.167 flat angles P-C4'-P energy: -36.091 tors. eta vs tors. theta energy: -60.754 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: 8 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -770.464224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.464224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.464224 (E_RNA) where: Base-Base interactions energy: -480.340 where: short stacking energy: -227.684 Base-Backbone interact. energy: -1.179 local terms energy: -288.945073 where: bonds (distance) C4'-P energy: -85.481 bonds (distance) P-C4' energy: -75.941 flat angles C4'-P-C4' energy: -56.862 flat angles P-C4'-P energy: -42.873 tors. eta vs tors. theta energy: -27.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1822.062349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.062349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.062349 (E_RNA) where: Base-Base interactions energy: -1286.285 where: short stacking energy: -510.517 Base-Backbone interact. energy: -0.993 local terms energy: -534.783753 where: bonds (distance) C4'-P energy: -104.869 bonds (distance) P-C4' energy: -98.381 flat angles C4'-P-C4' energy: -111.518 flat angles P-C4'-P energy: -64.270 tors. eta vs tors. theta energy: -155.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1754.009361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.009361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.009361 (E_RNA) where: Base-Base interactions energy: -1224.956 where: short stacking energy: -501.627 Base-Backbone interact. energy: -1.791 local terms energy: -527.263200 where: bonds (distance) C4'-P energy: -98.808 bonds (distance) P-C4' energy: -79.840 flat angles C4'-P-C4' energy: -116.933 flat angles P-C4'-P energy: -78.605 tors. eta vs tors. theta energy: -153.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1673.749662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.749662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.749662 (E_RNA) where: Base-Base interactions energy: -1175.458 where: short stacking energy: -447.682 Base-Backbone interact. energy: -1.290 local terms energy: -497.001718 where: bonds (distance) C4'-P energy: -82.260 bonds (distance) P-C4' energy: -99.375 flat angles C4'-P-C4' energy: -102.020 flat angles P-C4'-P energy: -70.339 tors. eta vs tors. theta energy: -143.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1490.551584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.551584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.551584 (E_RNA) where: Base-Base interactions energy: -1002.216 where: short stacking energy: -419.588 Base-Backbone interact. energy: -0.830 local terms energy: -487.505970 where: bonds (distance) C4'-P energy: -93.690 bonds (distance) P-C4' energy: -88.389 flat angles C4'-P-C4' energy: -106.039 flat angles P-C4'-P energy: -63.761 tors. eta vs tors. theta energy: -135.627 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: 5, replica: 4 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1538.619664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.619664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.619664 (E_RNA) where: Base-Base interactions energy: -1072.429 where: short stacking energy: -428.320 Base-Backbone interact. energy: -1.608 local terms energy: -464.582927 where: bonds (distance) C4'-P energy: -102.258 bonds (distance) P-C4' energy: -76.544 flat angles C4'-P-C4' energy: -95.633 flat angles P-C4'-P energy: -71.133 tors. eta vs tors. theta energy: -119.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1334.102411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.102411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.102411 (E_RNA) where: Base-Base interactions energy: -901.080 where: short stacking energy: -382.487 Base-Backbone interact. energy: -1.637 local terms energy: -431.385231 where: bonds (distance) C4'-P energy: -75.929 bonds (distance) P-C4' energy: -87.901 flat angles C4'-P-C4' energy: -95.715 flat angles P-C4'-P energy: -67.059 tors. eta vs tors. theta energy: -104.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1173.496819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.496819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.496819 (E_RNA) where: Base-Base interactions energy: -786.970 where: short stacking energy: -332.517 Base-Backbone interact. energy: 6.862 local terms energy: -393.388699 where: bonds (distance) C4'-P energy: -82.940 bonds (distance) P-C4' energy: -77.475 flat angles C4'-P-C4' energy: -85.016 flat angles P-C4'-P energy: -66.781 tors. eta vs tors. theta energy: -81.176 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: 7 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1087.188859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.188859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.188859 (E_RNA) where: Base-Base interactions energy: -709.408 where: short stacking energy: -280.714 Base-Backbone interact. energy: -0.333 local terms energy: -377.447045 where: bonds (distance) C4'-P energy: -91.507 bonds (distance) P-C4' energy: -78.033 flat angles C4'-P-C4' energy: -89.167 flat angles P-C4'-P energy: -59.004 tors. eta vs tors. theta energy: -59.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -979.999562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.999562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.999562 (E_RNA) where: Base-Base interactions energy: -634.482 where: short stacking energy: -272.112 Base-Backbone interact. energy: 2.062 local terms energy: -347.579227 where: bonds (distance) C4'-P energy: -66.204 bonds (distance) P-C4' energy: -87.277 flat angles C4'-P-C4' energy: -77.746 flat angles P-C4'-P energy: -50.665 tors. eta vs tors. theta energy: -65.687 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: 150 Temperature: 1.350000 Total energy: -749.370916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.370916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.370916 (E_RNA) where: Base-Base interactions energy: -458.529 where: short stacking energy: -216.177 Base-Backbone interact. energy: -1.069 local terms energy: -289.773512 where: bonds (distance) C4'-P energy: -64.911 bonds (distance) P-C4' energy: -77.298 flat angles C4'-P-C4' energy: -78.657 flat angles P-C4'-P energy: -50.287 tors. eta vs tors. theta energy: -18.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1820.129874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.129874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.129874 (E_RNA) where: Base-Base interactions energy: -1285.055 where: short stacking energy: -510.356 Base-Backbone interact. energy: 0.946 local terms energy: -536.020680 where: bonds (distance) C4'-P energy: -92.204 bonds (distance) P-C4' energy: -94.808 flat angles C4'-P-C4' energy: -106.102 flat angles P-C4'-P energy: -82.551 tors. eta vs tors. theta energy: -160.356 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: 2, replica: 3 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1750.218487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.218487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.218487 (E_RNA) where: Base-Base interactions energy: -1199.020 where: short stacking energy: -496.334 Base-Backbone interact. energy: -0.836 local terms energy: -550.362222 where: bonds (distance) C4'-P energy: -100.723 bonds (distance) P-C4' energy: -101.032 flat angles C4'-P-C4' energy: -116.866 flat angles P-C4'-P energy: -81.719 tors. eta vs tors. theta energy: -150.023 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: 6 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1690.721643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.721643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.721643 (E_RNA) where: Base-Base interactions energy: -1205.011 where: short stacking energy: -482.375 Base-Backbone interact. energy: 2.267 local terms energy: -487.976993 where: bonds (distance) C4'-P energy: -76.734 bonds (distance) P-C4' energy: -92.469 flat angles C4'-P-C4' energy: -104.695 flat angles P-C4'-P energy: -64.674 tors. eta vs tors. theta energy: -149.404 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: 4, replica: 4 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1517.060716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.060716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.060716 (E_RNA) where: Base-Base interactions energy: -1046.445 where: short stacking energy: -413.168 Base-Backbone interact. energy: -0.167 local terms energy: -470.449276 where: bonds (distance) C4'-P energy: -97.945 bonds (distance) P-C4' energy: -78.532 flat angles C4'-P-C4' energy: -97.693 flat angles P-C4'-P energy: -74.975 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: 5, replica: 9 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -1455.863806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.863806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.863806 (E_RNA) where: Base-Base interactions energy: -993.657 where: short stacking energy: -421.122 Base-Backbone interact. energy: -1.748 local terms energy: -460.458919 where: bonds (distance) C4'-P energy: -79.033 bonds (distance) P-C4' energy: -82.155 flat angles C4'-P-C4' energy: -99.961 flat angles P-C4'-P energy: -71.189 tors. eta vs tors. theta energy: -128.120 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: 6, replica: 5 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1361.128354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.128354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.128354 (E_RNA) where: Base-Base interactions energy: -923.467 where: short stacking energy: -363.475 Base-Backbone interact. energy: -1.395 local terms energy: -436.266599 where: bonds (distance) C4'-P energy: -79.650 bonds (distance) P-C4' energy: -82.348 flat angles C4'-P-C4' energy: -101.857 flat angles P-C4'-P energy: -61.004 tors. eta vs tors. theta energy: -111.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1230.710593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.710593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.710593 (E_RNA) where: Base-Base interactions energy: -804.664 where: short stacking energy: -323.427 Base-Backbone interact. energy: -0.879 local terms energy: -425.167649 where: bonds (distance) C4'-P energy: -89.806 bonds (distance) P-C4' energy: -81.915 flat angles C4'-P-C4' energy: -93.385 flat angles P-C4'-P energy: -76.099 tors. eta vs tors. theta energy: -83.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1099.482423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.482423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.482423 (E_RNA) where: Base-Base interactions energy: -733.407 where: short stacking energy: -298.249 Base-Backbone interact. energy: 4.020 local terms energy: -370.096204 where: bonds (distance) C4'-P energy: -88.476 bonds (distance) P-C4' energy: -77.621 flat angles C4'-P-C4' energy: -89.869 flat angles P-C4'-P energy: -46.920 tors. eta vs tors. theta energy: -67.209 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: 2 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -1012.393896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.393896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.393896 (E_RNA) where: Base-Base interactions energy: -649.526 where: short stacking energy: -268.949 Base-Backbone interact. energy: -1.317 local terms energy: -361.550924 where: bonds (distance) C4'-P energy: -68.474 bonds (distance) P-C4' energy: -78.542 flat angles C4'-P-C4' energy: -90.632 flat angles P-C4'-P energy: -51.972 tors. eta vs tors. theta energy: -71.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -749.146935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.146935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.146935 (E_RNA) where: Base-Base interactions energy: -465.694 where: short stacking energy: -207.400 Base-Backbone interact. energy: 1.429 local terms energy: -284.882129 where: bonds (distance) C4'-P energy: -62.839 bonds (distance) P-C4' energy: -74.840 flat angles C4'-P-C4' energy: -69.725 flat angles P-C4'-P energy: -54.080 tors. eta vs tors. theta energy: -23.398 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: 1 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1817.929055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.929055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.929055 (E_RNA) where: Base-Base interactions energy: -1275.050 where: short stacking energy: -512.221 Base-Backbone interact. energy: -1.244 local terms energy: -541.635014 where: bonds (distance) C4'-P energy: -94.632 bonds (distance) P-C4' energy: -90.319 flat angles C4'-P-C4' energy: -116.389 flat angles P-C4'-P energy: -81.954 tors. eta vs tors. theta energy: -158.340 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: 3 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1742.901861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.901861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.901861 (E_RNA) where: Base-Base interactions energy: -1228.754 where: short stacking energy: -519.286 Base-Backbone interact. energy: 1.559 local terms energy: -515.706819 where: bonds (distance) C4'-P energy: -91.250 bonds (distance) P-C4' energy: -77.690 flat angles C4'-P-C4' energy: -107.178 flat angles P-C4'-P energy: -81.439 tors. eta vs tors. theta energy: -158.150 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: 3, replica: 6 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1678.747633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.747633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.747633 (E_RNA) where: Base-Base interactions energy: -1193.025 where: short stacking energy: -472.973 Base-Backbone interact. energy: -2.044 local terms energy: -483.678409 where: bonds (distance) C4'-P energy: -72.856 bonds (distance) P-C4' energy: -87.512 flat angles C4'-P-C4' energy: -112.586 flat angles P-C4'-P energy: -71.999 tors. eta vs tors. theta energy: -138.726 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: 4, replica: 4 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1560.256595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.256595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.256595 (E_RNA) where: Base-Base interactions energy: -1102.365 where: short stacking energy: -436.326 Base-Backbone interact. energy: -1.571 local terms energy: -456.320882 where: bonds (distance) C4'-P energy: -83.867 bonds (distance) P-C4' energy: -91.162 flat angles C4'-P-C4' energy: -96.315 flat angles P-C4'-P energy: -59.095 tors. eta vs tors. theta energy: -125.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -1429.994723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.994723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.994723 (E_RNA) where: Base-Base interactions energy: -974.076 where: short stacking energy: -416.310 Base-Backbone interact. energy: -1.178 local terms energy: -454.740872 where: bonds (distance) C4'-P energy: -89.779 bonds (distance) P-C4' energy: -86.998 flat angles C4'-P-C4' energy: -102.326 flat angles P-C4'-P energy: -52.782 tors. eta vs tors. theta energy: -122.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1374.629027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.629027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.629027 (E_RNA) where: Base-Base interactions energy: -930.487 where: short stacking energy: -378.650 Base-Backbone interact. energy: 2.991 local terms energy: -447.133513 where: bonds (distance) C4'-P energy: -79.760 bonds (distance) P-C4' energy: -86.607 flat angles C4'-P-C4' energy: -96.386 flat angles P-C4'-P energy: -73.954 tors. eta vs tors. theta energy: -110.427 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: 10 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1168.632109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.632109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.632109 (E_RNA) where: Base-Base interactions energy: -761.559 where: short stacking energy: -322.919 Base-Backbone interact. energy: -1.028 local terms energy: -406.044920 where: bonds (distance) C4'-P energy: -92.227 bonds (distance) P-C4' energy: -86.057 flat angles C4'-P-C4' energy: -99.287 flat angles P-C4'-P energy: -55.094 tors. eta vs tors. theta energy: -73.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -977.358805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.358805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.358805 (E_RNA) where: Base-Base interactions energy: -626.181 where: short stacking energy: -269.332 Base-Backbone interact. energy: -0.732 local terms energy: -350.446010 where: bonds (distance) C4'-P energy: -79.538 bonds (distance) P-C4' energy: -73.650 flat angles C4'-P-C4' energy: -81.701 flat angles P-C4'-P energy: -54.394 tors. eta vs tors. theta energy: -61.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -955.449922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.449922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.449922 (E_RNA) where: Base-Base interactions energy: -614.881 where: short stacking energy: -259.395 Base-Backbone interact. energy: 0.679 local terms energy: -341.248323 where: bonds (distance) C4'-P energy: -69.432 bonds (distance) P-C4' energy: -78.036 flat angles C4'-P-C4' energy: -85.328 flat angles P-C4'-P energy: -46.311 tors. eta vs tors. theta energy: -62.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -744.234730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.234730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.234730 (E_RNA) where: Base-Base interactions energy: -468.040 where: short stacking energy: -231.257 Base-Backbone interact. energy: -0.462 local terms energy: -275.732452 where: bonds (distance) C4'-P energy: -80.349 bonds (distance) P-C4' energy: -79.736 flat angles C4'-P-C4' energy: -76.486 flat angles P-C4'-P energy: -9.117 tors. eta vs tors. theta energy: -30.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1830.262661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.262661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.262661 (E_RNA) where: Base-Base interactions energy: -1290.339 where: short stacking energy: -516.328 Base-Backbone interact. energy: -1.606 local terms energy: -538.318075 where: bonds (distance) C4'-P energy: -87.992 bonds (distance) P-C4' energy: -99.448 flat angles C4'-P-C4' energy: -116.029 flat angles P-C4'-P energy: -79.805 tors. eta vs tors. theta energy: -155.044 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: 3 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1748.138633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.138633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.138633 (E_RNA) where: Base-Base interactions energy: -1230.354 where: short stacking energy: -514.172 Base-Backbone interact. energy: -0.798 local terms energy: -516.986543 where: bonds (distance) C4'-P energy: -99.027 bonds (distance) P-C4' energy: -87.392 flat angles C4'-P-C4' energy: -108.885 flat angles P-C4'-P energy: -76.702 tors. eta vs tors. theta energy: -144.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1677.066631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.066631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.066631 (E_RNA) where: Base-Base interactions energy: -1198.441 where: short stacking energy: -467.286 Base-Backbone interact. energy: -2.249 local terms energy: -476.376644 where: bonds (distance) C4'-P energy: -82.866 bonds (distance) P-C4' energy: -84.115 flat angles C4'-P-C4' energy: -103.882 flat angles P-C4'-P energy: -71.666 tors. eta vs tors. theta energy: -133.847 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: 4, replica: 4 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1543.197387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.197387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.197387 (E_RNA) where: Base-Base interactions energy: -1073.478 where: short stacking energy: -404.986 Base-Backbone interact. energy: 2.674 local terms energy: -472.392803 where: bonds (distance) C4'-P energy: -94.819 bonds (distance) P-C4' energy: -90.003 flat angles C4'-P-C4' energy: -105.222 flat angles P-C4'-P energy: -66.707 tors. eta vs tors. theta energy: -115.643 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: 9 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1391.272468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.272468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.272468 (E_RNA) where: Base-Base interactions energy: -948.186 where: short stacking energy: -384.910 Base-Backbone interact. energy: -1.056 local terms energy: -442.030851 where: bonds (distance) C4'-P energy: -68.360 bonds (distance) P-C4' energy: -99.084 flat angles C4'-P-C4' energy: -102.247 flat angles P-C4'-P energy: -67.107 tors. eta vs tors. theta energy: -105.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1419.920770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.920770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.920770 (E_RNA) where: Base-Base interactions energy: -964.145 where: short stacking energy: -392.850 Base-Backbone interact. energy: -1.219 local terms energy: -454.557063 where: bonds (distance) C4'-P energy: -97.243 bonds (distance) P-C4' energy: -103.335 flat angles C4'-P-C4' energy: -97.377 flat angles P-C4'-P energy: -56.076 tors. eta vs tors. theta energy: -100.527 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: 10 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1172.625693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.625693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.625693 (E_RNA) where: Base-Base interactions energy: -764.457 where: short stacking energy: -345.903 Base-Backbone interact. energy: -1.787 local terms energy: -406.381768 where: bonds (distance) C4'-P energy: -77.286 bonds (distance) P-C4' energy: -77.036 flat angles C4'-P-C4' energy: -92.707 flat angles P-C4'-P energy: -65.625 tors. eta vs tors. theta energy: -93.727 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: 2 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1066.048856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.048856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.048856 (E_RNA) where: Base-Base interactions energy: -699.942 where: short stacking energy: -305.782 Base-Backbone interact. energy: -0.243 local terms energy: -365.863782 where: bonds (distance) C4'-P energy: -76.031 bonds (distance) P-C4' energy: -77.733 flat angles C4'-P-C4' energy: -92.548 flat angles P-C4'-P energy: -54.431 tors. eta vs tors. theta energy: -65.120 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: 153 Temperature: 1.300000 Total energy: -980.227361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.227361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.227361 (E_RNA) where: Base-Base interactions energy: -629.722 where: short stacking energy: -279.853 Base-Backbone interact. energy: 0.967 local terms energy: -351.472848 where: bonds (distance) C4'-P energy: -86.212 bonds (distance) P-C4' energy: -68.127 flat angles C4'-P-C4' energy: -74.209 flat angles P-C4'-P energy: -56.576 tors. eta vs tors. theta energy: -66.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -794.359803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.359803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.359803 (E_RNA) where: Base-Base interactions energy: -486.939 where: short stacking energy: -219.267 Base-Backbone interact. energy: 1.313 local terms energy: -308.734304 where: bonds (distance) C4'-P energy: -80.260 bonds (distance) P-C4' energy: -64.144 flat angles C4'-P-C4' energy: -74.506 flat angles P-C4'-P energy: -45.878 tors. eta vs tors. theta energy: -43.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1851.961961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.961961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.961961 (E_RNA) where: Base-Base interactions energy: -1299.619 where: short stacking energy: -532.992 Base-Backbone interact. energy: -1.148 local terms energy: -551.194467 where: bonds (distance) C4'-P energy: -95.545 bonds (distance) P-C4' energy: -97.092 flat angles C4'-P-C4' energy: -118.504 flat angles P-C4'-P energy: -79.839 tors. eta vs tors. theta energy: -160.214 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: 2, replica: 3 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1749.926350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.926350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.926350 (E_RNA) where: Base-Base interactions energy: -1209.349 where: short stacking energy: -500.885 Base-Backbone interact. energy: -2.190 local terms energy: -538.387313 where: bonds (distance) C4'-P energy: -96.524 bonds (distance) P-C4' energy: -106.468 flat angles C4'-P-C4' energy: -98.228 flat angles P-C4'-P energy: -78.563 tors. eta vs tors. theta energy: -158.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1671.071464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.071464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.071464 (E_RNA) where: Base-Base interactions energy: -1172.910 where: short stacking energy: -457.191 Base-Backbone interact. energy: -1.581 local terms energy: -496.580103 where: bonds (distance) C4'-P energy: -86.367 bonds (distance) P-C4' energy: -99.029 flat angles C4'-P-C4' energy: -102.174 flat angles P-C4'-P energy: -63.692 tors. eta vs tors. theta energy: -145.319 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: 4 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1593.839821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.839821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.839821 (E_RNA) where: Base-Base interactions energy: -1109.930 where: short stacking energy: -450.483 Base-Backbone interact. energy: 0.566 local terms energy: -484.475710 where: bonds (distance) C4'-P energy: -81.110 bonds (distance) P-C4' energy: -97.830 flat angles C4'-P-C4' energy: -97.332 flat angles P-C4'-P energy: -75.668 tors. eta vs tors. theta energy: -132.535 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: 5, replica: 5 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1477.010065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.010065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.010065 (E_RNA) where: Base-Base interactions energy: -1011.500 where: short stacking energy: -416.960 Base-Backbone interact. energy: -1.843 local terms energy: -463.666980 where: bonds (distance) C4'-P energy: -93.605 bonds (distance) P-C4' energy: -86.421 flat angles C4'-P-C4' energy: -104.566 flat angles P-C4'-P energy: -63.266 tors. eta vs tors. theta energy: -115.809 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: 9 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1356.483300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.483300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.483300 (E_RNA) where: Base-Base interactions energy: -919.151 where: short stacking energy: -380.859 Base-Backbone interact. energy: -0.947 local terms energy: -436.385770 where: bonds (distance) C4'-P energy: -84.723 bonds (distance) P-C4' energy: -98.206 flat angles C4'-P-C4' energy: -91.719 flat angles P-C4'-P energy: -51.116 tors. eta vs tors. theta energy: -110.621 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: 7, replica: 10 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1149.877933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.877933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.877933 (E_RNA) where: Base-Base interactions energy: -736.875 where: short stacking energy: -331.139 Base-Backbone interact. energy: -1.004 local terms energy: -411.998882 where: bonds (distance) C4'-P energy: -83.461 bonds (distance) P-C4' energy: -81.022 flat angles C4'-P-C4' energy: -103.746 flat angles P-C4'-P energy: -64.507 tors. eta vs tors. theta energy: -79.263 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: 2 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1126.111033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.111033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.111033 (E_RNA) where: Base-Base interactions energy: -721.886 where: short stacking energy: -318.116 Base-Backbone interact. energy: -2.351 local terms energy: -401.873785 where: bonds (distance) C4'-P energy: -83.815 bonds (distance) P-C4' energy: -89.938 flat angles C4'-P-C4' energy: -90.109 flat angles P-C4'-P energy: -54.102 tors. eta vs tors. theta energy: -83.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -959.433563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.433563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.433563 (E_RNA) where: Base-Base interactions energy: -617.037 where: short stacking energy: -266.246 Base-Backbone interact. energy: -0.352 local terms energy: -342.044536 where: bonds (distance) C4'-P energy: -64.240 bonds (distance) P-C4' energy: -73.926 flat angles C4'-P-C4' energy: -81.238 flat angles P-C4'-P energy: -58.749 tors. eta vs tors. theta energy: -63.892 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: 8 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -670.068450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.068450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.068450 (E_RNA) where: Base-Base interactions energy: -386.722 where: short stacking energy: -185.758 Base-Backbone interact. energy: -1.787 local terms energy: -281.559210 where: bonds (distance) C4'-P energy: -68.266 bonds (distance) P-C4' energy: -85.684 flat angles C4'-P-C4' energy: -80.462 flat angles P-C4'-P energy: -43.395 tors. eta vs tors. theta energy: -3.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1850.555599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.555599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.555599 (E_RNA) where: Base-Base interactions energy: -1314.235 where: short stacking energy: -530.523 Base-Backbone interact. energy: 0.069 local terms energy: -536.390363 where: bonds (distance) C4'-P energy: -97.883 bonds (distance) P-C4' energy: -95.987 flat angles C4'-P-C4' energy: -109.223 flat angles P-C4'-P energy: -73.073 tors. eta vs tors. theta energy: -160.224 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: 3 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1763.316313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.316313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.316313 (E_RNA) where: Base-Base interactions energy: -1224.544 where: short stacking energy: -519.523 Base-Backbone interact. energy: -1.051 local terms energy: -537.721357 where: bonds (distance) C4'-P energy: -90.802 bonds (distance) P-C4' energy: -100.039 flat angles C4'-P-C4' energy: -109.072 flat angles P-C4'-P energy: -76.672 tors. eta vs tors. theta energy: -161.136 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: 6 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1695.038460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.038460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.038460 (E_RNA) where: Base-Base interactions energy: -1174.292 where: short stacking energy: -475.392 Base-Backbone interact. energy: -1.612 local terms energy: -519.134477 where: bonds (distance) C4'-P energy: -103.661 bonds (distance) P-C4' energy: -94.622 flat angles C4'-P-C4' energy: -113.426 flat angles P-C4'-P energy: -59.545 tors. eta vs tors. theta energy: -147.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1575.918920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.918920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.918920 (E_RNA) where: Base-Base interactions energy: -1111.509 where: short stacking energy: -439.521 Base-Backbone interact. energy: -1.288 local terms energy: -463.121696 where: bonds (distance) C4'-P energy: -95.310 bonds (distance) P-C4' energy: -75.849 flat angles C4'-P-C4' energy: -97.171 flat angles P-C4'-P energy: -70.198 tors. eta vs tors. theta energy: -124.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1588.448252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.448252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.448252 (E_RNA) where: Base-Base interactions energy: -1105.555 where: short stacking energy: -450.605 Base-Backbone interact. energy: 0.083 local terms energy: -482.976065 where: bonds (distance) C4'-P energy: -94.189 bonds (distance) P-C4' energy: -90.510 flat angles C4'-P-C4' energy: -95.350 flat angles P-C4'-P energy: -70.226 tors. eta vs tors. theta energy: -132.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -1388.152741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.152741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.152741 (E_RNA) where: Base-Base interactions energy: -941.729 where: short stacking energy: -380.412 Base-Backbone interact. energy: 4.737 local terms energy: -451.159798 where: bonds (distance) C4'-P energy: -94.884 bonds (distance) P-C4' energy: -92.514 flat angles C4'-P-C4' energy: -96.016 flat angles P-C4'-P energy: -58.488 tors. eta vs tors. theta energy: -109.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1169.402473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.402473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.402473 (E_RNA) where: Base-Base interactions energy: -798.200 where: short stacking energy: -354.321 Base-Backbone interact. energy: -1.241 local terms energy: -369.961038 where: bonds (distance) C4'-P energy: -79.596 bonds (distance) P-C4' energy: -76.724 flat angles C4'-P-C4' energy: -77.701 flat angles P-C4'-P energy: -44.967 tors. eta vs tors. theta energy: -90.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1122.354645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.354645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.354645 (E_RNA) where: Base-Base interactions energy: -746.452 where: short stacking energy: -310.626 Base-Backbone interact. energy: 0.629 local terms energy: -376.531404 where: bonds (distance) C4'-P energy: -76.227 bonds (distance) P-C4' energy: -91.764 flat angles C4'-P-C4' energy: -80.120 flat angles P-C4'-P energy: -51.849 tors. eta vs tors. theta energy: -76.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -881.152399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.152399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.152399 (E_RNA) where: Base-Base interactions energy: -554.010 where: short stacking energy: -228.327 Base-Backbone interact. energy: -2.083 local terms energy: -325.059192 where: bonds (distance) C4'-P energy: -83.012 bonds (distance) P-C4' energy: -72.810 flat angles C4'-P-C4' energy: -75.280 flat angles P-C4'-P energy: -59.288 tors. eta vs tors. theta energy: -34.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -684.504481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.504481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.504481 (E_RNA) where: Base-Base interactions energy: -400.540 where: short stacking energy: -184.511 Base-Backbone interact. energy: 2.012 local terms energy: -285.976059 where: bonds (distance) C4'-P energy: -61.576 bonds (distance) P-C4' energy: -72.496 flat angles C4'-P-C4' energy: -88.346 flat angles P-C4'-P energy: -46.884 tors. eta vs tors. theta energy: -16.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1873.237287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.237287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.237287 (E_RNA) where: Base-Base interactions energy: -1323.081 where: short stacking energy: -523.488 Base-Backbone interact. energy: 0.026 local terms energy: -550.182697 where: bonds (distance) C4'-P energy: -100.519 bonds (distance) P-C4' energy: -99.552 flat angles C4'-P-C4' energy: -120.580 flat angles P-C4'-P energy: -72.119 tors. eta vs tors. theta energy: -157.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1752.641871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.641871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.641871 (E_RNA) where: Base-Base interactions energy: -1226.656 where: short stacking energy: -503.795 Base-Backbone interact. energy: -1.044 local terms energy: -524.942151 where: bonds (distance) C4'-P energy: -96.859 bonds (distance) P-C4' energy: -94.543 flat angles C4'-P-C4' energy: -106.782 flat angles P-C4'-P energy: -71.913 tors. eta vs tors. theta energy: -154.845 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: 6 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1685.914931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.914931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.914931 (E_RNA) where: Base-Base interactions energy: -1178.451 where: short stacking energy: -456.970 Base-Backbone interact. energy: -2.420 local terms energy: -505.043809 where: bonds (distance) C4'-P energy: -84.548 bonds (distance) P-C4' energy: -108.550 flat angles C4'-P-C4' energy: -102.556 flat angles P-C4'-P energy: -70.665 tors. eta vs tors. theta energy: -138.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1610.587517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.587517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.587517 (E_RNA) where: Base-Base interactions energy: -1128.362 where: short stacking energy: -440.459 Base-Backbone interact. energy: 2.570 local terms energy: -484.795545 where: bonds (distance) C4'-P energy: -94.703 bonds (distance) P-C4' energy: -90.216 flat angles C4'-P-C4' energy: -94.424 flat angles P-C4'-P energy: -68.828 tors. eta vs tors. theta energy: -136.625 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: 5, replica: 5 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -1560.463076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.463076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.463076 (E_RNA) where: Base-Base interactions energy: -1074.705 where: short stacking energy: -439.242 Base-Backbone interact. energy: -2.261 local terms energy: -483.496787 where: bonds (distance) C4'-P energy: -85.906 bonds (distance) P-C4' energy: -87.273 flat angles C4'-P-C4' energy: -103.311 flat angles P-C4'-P energy: -75.178 tors. eta vs tors. theta energy: -131.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1397.046495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.046495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.046495 (E_RNA) where: Base-Base interactions energy: -992.195 where: short stacking energy: -378.390 Base-Backbone interact. energy: -1.536 local terms energy: -403.316118 where: bonds (distance) C4'-P energy: -75.556 bonds (distance) P-C4' energy: -76.126 flat angles C4'-P-C4' energy: -93.455 flat angles P-C4'-P energy: -54.752 tors. eta vs tors. theta energy: -103.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1182.315256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.315256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.315256 (E_RNA) where: Base-Base interactions energy: -778.880 where: short stacking energy: -336.779 Base-Backbone interact. energy: -1.358 local terms energy: -402.077014 where: bonds (distance) C4'-P energy: -90.162 bonds (distance) P-C4' energy: -91.944 flat angles C4'-P-C4' energy: -84.130 flat angles P-C4'-P energy: -58.925 tors. eta vs tors. theta energy: -76.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1155.260525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.260525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.260525 (E_RNA) where: Base-Base interactions energy: -774.675 where: short stacking energy: -330.469 Base-Backbone interact. energy: 1.494 local terms energy: -382.079386 where: bonds (distance) C4'-P energy: -68.186 bonds (distance) P-C4' energy: -90.563 flat angles C4'-P-C4' energy: -95.015 flat angles P-C4'-P energy: -49.149 tors. eta vs tors. theta energy: -79.166 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: 7 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -887.229527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.229527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.229527 (E_RNA) where: Base-Base interactions energy: -543.536 where: short stacking energy: -231.147 Base-Backbone interact. energy: -1.397 local terms energy: -342.297253 where: bonds (distance) C4'-P energy: -85.069 bonds (distance) P-C4' energy: -88.895 flat angles C4'-P-C4' energy: -78.156 flat angles P-C4'-P energy: -32.858 tors. eta vs tors. theta energy: -57.320 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: 8 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -729.284773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.284773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.284773 (E_RNA) where: Base-Base interactions energy: -421.029 where: short stacking energy: -194.816 Base-Backbone interact. energy: -0.673 local terms energy: -307.582639 where: bonds (distance) C4'-P energy: -70.570 bonds (distance) P-C4' energy: -95.299 flat angles C4'-P-C4' energy: -84.491 flat angles P-C4'-P energy: -30.536 tors. eta vs tors. theta energy: -26.686 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: 1 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1848.509154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.509154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.509154 (E_RNA) where: Base-Base interactions energy: -1299.854 where: short stacking energy: -499.845 Base-Backbone interact. energy: -1.364 local terms energy: -547.291370 where: bonds (distance) C4'-P energy: -104.581 bonds (distance) P-C4' energy: -95.437 flat angles C4'-P-C4' energy: -110.085 flat angles P-C4'-P energy: -75.617 tors. eta vs tors. theta energy: -161.570 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: 3 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1744.598187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.598187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.598187 (E_RNA) where: Base-Base interactions energy: -1221.247 where: short stacking energy: -507.354 Base-Backbone interact. energy: 0.291 local terms energy: -523.642196 where: bonds (distance) C4'-P energy: -82.263 bonds (distance) P-C4' energy: -92.686 flat angles C4'-P-C4' energy: -109.496 flat angles P-C4'-P energy: -74.307 tors. eta vs tors. theta energy: -164.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1677.041546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.041546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.041546 (E_RNA) where: Base-Base interactions energy: -1160.624 where: short stacking energy: -467.266 Base-Backbone interact. energy: -0.751 local terms energy: -515.665920 where: bonds (distance) C4'-P energy: -98.623 bonds (distance) P-C4' energy: -102.989 flat angles C4'-P-C4' energy: -102.563 flat angles P-C4'-P energy: -76.402 tors. eta vs tors. theta energy: -135.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1572.324343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.324343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.324343 (E_RNA) where: Base-Base interactions energy: -1112.918 where: short stacking energy: -439.405 Base-Backbone interact. energy: -3.413 local terms energy: -455.993907 where: bonds (distance) C4'-P energy: -75.886 bonds (distance) P-C4' energy: -93.056 flat angles C4'-P-C4' energy: -100.194 flat angles P-C4'-P energy: -69.884 tors. eta vs tors. theta energy: -116.975 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: 5 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1597.315428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.315428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.315428 (E_RNA) where: Base-Base interactions energy: -1128.329 where: short stacking energy: -460.600 Base-Backbone interact. energy: 1.992 local terms energy: -470.978301 where: bonds (distance) C4'-P energy: -90.677 bonds (distance) P-C4' energy: -81.568 flat angles C4'-P-C4' energy: -97.659 flat angles P-C4'-P energy: -67.470 tors. eta vs tors. theta energy: -133.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1399.265402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.265402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.265402 (E_RNA) where: Base-Base interactions energy: -957.015 where: short stacking energy: -393.037 Base-Backbone interact. energy: 2.306 local terms energy: -444.556831 where: bonds (distance) C4'-P energy: -85.332 bonds (distance) P-C4' energy: -92.209 flat angles C4'-P-C4' energy: -102.665 flat angles P-C4'-P energy: -56.692 tors. eta vs tors. theta energy: -107.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1174.385444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.385444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.385444 (E_RNA) where: Base-Base interactions energy: -794.695 where: short stacking energy: -346.398 Base-Backbone interact. energy: -0.680 local terms energy: -379.011145 where: bonds (distance) C4'-P energy: -76.574 bonds (distance) P-C4' energy: -89.741 flat angles C4'-P-C4' energy: -68.216 flat angles P-C4'-P energy: -54.090 tors. eta vs tors. theta energy: -90.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1159.989703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.989703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.989703 (E_RNA) where: Base-Base interactions energy: -762.750 where: short stacking energy: -316.179 Base-Backbone interact. energy: -1.991 local terms energy: -395.248532 where: bonds (distance) C4'-P energy: -72.734 bonds (distance) P-C4' energy: -90.740 flat angles C4'-P-C4' energy: -100.740 flat angles P-C4'-P energy: -28.172 tors. eta vs tors. theta energy: -102.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -901.062760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.062760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.062760 (E_RNA) where: Base-Base interactions energy: -561.650 where: short stacking energy: -255.077 Base-Backbone interact. energy: 0.155 local terms energy: -339.567292 where: bonds (distance) C4'-P energy: -80.331 bonds (distance) P-C4' energy: -84.437 flat angles C4'-P-C4' energy: -59.886 flat angles P-C4'-P energy: -59.105 tors. eta vs tors. theta energy: -55.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -704.530018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.530018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.530018 (E_RNA) where: Base-Base interactions energy: -408.183 where: short stacking energy: -190.086 Base-Backbone interact. energy: -1.520 local terms energy: -294.826702 where: bonds (distance) C4'-P energy: -71.321 bonds (distance) P-C4' energy: -77.778 flat angles C4'-P-C4' energy: -82.315 flat angles P-C4'-P energy: -41.103 tors. eta vs tors. theta energy: -22.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1840.570243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.570243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.570243 (E_RNA) where: Base-Base interactions energy: -1291.652 where: short stacking energy: -504.250 Base-Backbone interact. energy: -1.933 local terms energy: -546.985275 where: bonds (distance) C4'-P energy: -102.535 bonds (distance) P-C4' energy: -92.708 flat angles C4'-P-C4' energy: -109.338 flat angles P-C4'-P energy: -83.956 tors. eta vs tors. theta energy: -158.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1736.603218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.603218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.603218 (E_RNA) where: Base-Base interactions energy: -1202.433 where: short stacking energy: -508.683 Base-Backbone interact. energy: -1.084 local terms energy: -533.086207 where: bonds (distance) C4'-P energy: -93.698 bonds (distance) P-C4' energy: -91.142 flat angles C4'-P-C4' energy: -105.603 flat angles P-C4'-P energy: -77.997 tors. eta vs tors. theta energy: -164.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -1682.027456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.027456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.027456 (E_RNA) where: Base-Base interactions energy: -1177.268 where: short stacking energy: -472.858 Base-Backbone interact. energy: -0.784 local terms energy: -503.976115 where: bonds (distance) C4'-P energy: -87.214 bonds (distance) P-C4' energy: -93.606 flat angles C4'-P-C4' energy: -107.697 flat angles P-C4'-P energy: -74.407 tors. eta vs tors. theta energy: -141.052 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: 4, replica: 4 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1556.974097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.974097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.974097 (E_RNA) where: Base-Base interactions energy: -1119.062 where: short stacking energy: -435.053 Base-Backbone interact. energy: -1.937 local terms energy: -435.974917 where: bonds (distance) C4'-P energy: -80.957 bonds (distance) P-C4' energy: -70.147 flat angles C4'-P-C4' energy: -89.662 flat angles P-C4'-P energy: -77.722 tors. eta vs tors. theta energy: -117.487 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: 158 Temperature: 1.100000 Total energy: -1597.388975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.388975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.388975 (E_RNA) where: Base-Base interactions energy: -1110.524 where: short stacking energy: -445.237 Base-Backbone interact. energy: 0.410 local terms energy: -487.275140 where: bonds (distance) C4'-P energy: -95.702 bonds (distance) P-C4' energy: -90.095 flat angles C4'-P-C4' energy: -94.377 flat angles P-C4'-P energy: -72.550 tors. eta vs tors. theta energy: -134.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1402.776066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.776066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.776066 (E_RNA) where: Base-Base interactions energy: -967.874 where: short stacking energy: -393.305 Base-Backbone interact. energy: 0.186 local terms energy: -435.088538 where: bonds (distance) C4'-P energy: -88.529 bonds (distance) P-C4' energy: -81.010 flat angles C4'-P-C4' energy: -98.208 flat angles P-C4'-P energy: -60.656 tors. eta vs tors. theta energy: -106.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1153.139809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.139809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.139809 (E_RNA) where: Base-Base interactions energy: -780.024 where: short stacking energy: -335.592 Base-Backbone interact. energy: -2.900 local terms energy: -370.216203 where: bonds (distance) C4'-P energy: -74.151 bonds (distance) P-C4' energy: -87.630 flat angles C4'-P-C4' energy: -83.077 flat angles P-C4'-P energy: -54.750 tors. eta vs tors. theta energy: -70.608 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: 2 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1116.177706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.177706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.177706 (E_RNA) where: Base-Base interactions energy: -743.990 where: short stacking energy: -338.832 Base-Backbone interact. energy: -2.362 local terms energy: -369.825779 where: bonds (distance) C4'-P energy: -55.002 bonds (distance) P-C4' energy: -81.208 flat angles C4'-P-C4' energy: -83.720 flat angles P-C4'-P energy: -67.555 tors. eta vs tors. theta energy: -82.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -880.446523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.446523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.446523 (E_RNA) where: Base-Base interactions energy: -565.488 where: short stacking energy: -241.439 Base-Backbone interact. energy: -2.393 local terms energy: -312.565676 where: bonds (distance) C4'-P energy: -60.797 bonds (distance) P-C4' energy: -88.928 flat angles C4'-P-C4' energy: -59.762 flat angles P-C4'-P energy: -45.619 tors. eta vs tors. theta energy: -57.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -752.752868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.752868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.752868 (E_RNA) where: Base-Base interactions energy: -457.463 where: short stacking energy: -193.429 Base-Backbone interact. energy: 1.943 local terms energy: -297.233167 where: bonds (distance) C4'-P energy: -76.725 bonds (distance) P-C4' energy: -84.250 flat angles C4'-P-C4' energy: -51.887 flat angles P-C4'-P energy: -51.890 tors. eta vs tors. theta energy: -32.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1820.781209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.781209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.781209 (E_RNA) where: Base-Base interactions energy: -1290.247 where: short stacking energy: -518.296 Base-Backbone interact. energy: -1.314 local terms energy: -529.219551 where: bonds (distance) C4'-P energy: -84.479 bonds (distance) P-C4' energy: -90.287 flat angles C4'-P-C4' energy: -115.255 flat angles P-C4'-P energy: -79.951 tors. eta vs tors. theta energy: -159.248 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: 2, replica: 3 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1735.144219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.144219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.144219 (E_RNA) where: Base-Base interactions energy: -1200.352 where: short stacking energy: -491.491 Base-Backbone interact. energy: -1.099 local terms energy: -533.692600 where: bonds (distance) C4'-P energy: -93.900 bonds (distance) P-C4' energy: -92.573 flat angles C4'-P-C4' energy: -107.506 flat angles P-C4'-P energy: -86.685 tors. eta vs tors. theta energy: -153.028 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: 3, replica: 6 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1698.797761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.797761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.797761 (E_RNA) where: Base-Base interactions energy: -1188.145 where: short stacking energy: -455.428 Base-Backbone interact. energy: -2.857 local terms energy: -507.796214 where: bonds (distance) C4'-P energy: -92.595 bonds (distance) P-C4' energy: -97.634 flat angles C4'-P-C4' energy: -103.799 flat angles P-C4'-P energy: -74.112 tors. eta vs tors. theta energy: -139.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1679.551800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.551800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.551800 (E_RNA) where: Base-Base interactions energy: -1181.610 where: short stacking energy: -479.967 Base-Backbone interact. energy: 0.661 local terms energy: -498.602436 where: bonds (distance) C4'-P energy: -82.625 bonds (distance) P-C4' energy: -99.474 flat angles C4'-P-C4' energy: -101.314 flat angles P-C4'-P energy: -69.257 tors. eta vs tors. theta energy: -145.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1515.826328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.826328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.826328 (E_RNA) where: Base-Base interactions energy: -1088.270 where: short stacking energy: -422.576 Base-Backbone interact. energy: 0.328 local terms energy: -427.884060 where: bonds (distance) C4'-P energy: -83.112 bonds (distance) P-C4' energy: -89.203 flat angles C4'-P-C4' energy: -90.449 flat angles P-C4'-P energy: -50.870 tors. eta vs tors. theta energy: -114.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1392.726529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.726529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.726529 (E_RNA) where: Base-Base interactions energy: -976.632 where: short stacking energy: -411.977 Base-Backbone interact. energy: -0.887 local terms energy: -415.208292 where: bonds (distance) C4'-P energy: -79.815 bonds (distance) P-C4' energy: -76.089 flat angles C4'-P-C4' energy: -97.368 flat angles P-C4'-P energy: -47.837 tors. eta vs tors. theta energy: -114.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1174.276851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.276851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.276851 (E_RNA) where: Base-Base interactions energy: -783.352 where: short stacking energy: -312.056 Base-Backbone interact. energy: -2.539 local terms energy: -388.386185 where: bonds (distance) C4'-P energy: -81.226 bonds (distance) P-C4' energy: -90.703 flat angles C4'-P-C4' energy: -89.577 flat angles P-C4'-P energy: -56.294 tors. eta vs tors. theta energy: -70.587 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: 2 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1123.050188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.050188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.050188 (E_RNA) where: Base-Base interactions energy: -740.293 where: short stacking energy: -287.760 Base-Backbone interact. energy: -0.953 local terms energy: -381.804995 where: bonds (distance) C4'-P energy: -67.569 bonds (distance) P-C4' energy: -72.986 flat angles C4'-P-C4' energy: -104.829 flat angles P-C4'-P energy: -52.275 tors. eta vs tors. theta energy: -84.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -865.316828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.316828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.316828 (E_RNA) where: Base-Base interactions energy: -555.250 where: short stacking energy: -220.181 Base-Backbone interact. energy: -2.537 local terms energy: -307.530680 where: bonds (distance) C4'-P energy: -67.598 bonds (distance) P-C4' energy: -86.584 flat angles C4'-P-C4' energy: -70.290 flat angles P-C4'-P energy: -44.219 tors. eta vs tors. theta energy: -38.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -783.065552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.065552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.065552 (E_RNA) where: Base-Base interactions energy: -473.742 where: short stacking energy: -217.046 Base-Backbone interact. energy: -1.828 local terms energy: -307.495322 where: bonds (distance) C4'-P energy: -78.099 bonds (distance) P-C4' energy: -71.367 flat angles C4'-P-C4' energy: -72.480 flat angles P-C4'-P energy: -48.223 tors. eta vs tors. theta energy: -37.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1835.533769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.533769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.533769 (E_RNA) where: Base-Base interactions energy: -1285.373 where: short stacking energy: -508.097 Base-Backbone interact. energy: -2.446 local terms energy: -547.715214 where: bonds (distance) C4'-P energy: -94.986 bonds (distance) P-C4' energy: -112.314 flat angles C4'-P-C4' energy: -107.347 flat angles P-C4'-P energy: -75.914 tors. eta vs tors. theta energy: -157.154 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: 3 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1768.183943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.183943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.183943 (E_RNA) where: Base-Base interactions energy: -1227.205 where: short stacking energy: -501.331 Base-Backbone interact. energy: -2.837 local terms energy: -538.141924 where: bonds (distance) C4'-P energy: -102.385 bonds (distance) P-C4' energy: -89.862 flat angles C4'-P-C4' energy: -111.499 flat angles P-C4'-P energy: -77.976 tors. eta vs tors. theta energy: -156.420 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: 5 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1693.454370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.454370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.454370 (E_RNA) where: Base-Base interactions energy: -1194.652 where: short stacking energy: -491.602 Base-Backbone interact. energy: 0.652 local terms energy: -499.454691 where: bonds (distance) C4'-P energy: -95.730 bonds (distance) P-C4' energy: -78.436 flat angles C4'-P-C4' energy: -107.595 flat angles P-C4'-P energy: -67.123 tors. eta vs tors. theta energy: -150.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1683.732052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.732052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.732052 (E_RNA) where: Base-Base interactions energy: -1186.625 where: short stacking energy: -480.005 Base-Backbone interact. energy: -0.250 local terms energy: -496.857280 where: bonds (distance) C4'-P energy: -93.177 bonds (distance) P-C4' energy: -84.932 flat angles C4'-P-C4' energy: -99.625 flat angles P-C4'-P energy: -71.562 tors. eta vs tors. theta energy: -147.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1505.645793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.645793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.645793 (E_RNA) where: Base-Base interactions energy: -1087.947 where: short stacking energy: -413.720 Base-Backbone interact. energy: 1.027 local terms energy: -418.726062 where: bonds (distance) C4'-P energy: -78.831 bonds (distance) P-C4' energy: -82.101 flat angles C4'-P-C4' energy: -91.580 flat angles P-C4'-P energy: -53.599 tors. eta vs tors. theta energy: -112.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1376.008964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.008964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.008964 (E_RNA) where: Base-Base interactions energy: -932.773 where: short stacking energy: -390.099 Base-Backbone interact. energy: -1.111 local terms energy: -442.125860 where: bonds (distance) C4'-P energy: -87.166 bonds (distance) P-C4' energy: -96.819 flat angles C4'-P-C4' energy: -93.446 flat angles P-C4'-P energy: -55.177 tors. eta vs tors. theta energy: -109.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1170.567661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.567661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.567661 (E_RNA) where: Base-Base interactions energy: -799.746 where: short stacking energy: -328.819 Base-Backbone interact. energy: 3.173 local terms energy: -373.995085 where: bonds (distance) C4'-P energy: -73.453 bonds (distance) P-C4' energy: -78.076 flat angles C4'-P-C4' energy: -83.728 flat angles P-C4'-P energy: -62.127 tors. eta vs tors. theta energy: -76.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1099.265383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.265383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.265383 (E_RNA) where: Base-Base interactions energy: -721.564 where: short stacking energy: -300.786 Base-Backbone interact. energy: -0.740 local terms energy: -376.962297 where: bonds (distance) C4'-P energy: -74.123 bonds (distance) P-C4' energy: -84.322 flat angles C4'-P-C4' energy: -79.106 flat angles P-C4'-P energy: -62.622 tors. eta vs tors. theta energy: -76.789 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: 160 Temperature: 1.300000 Total energy: -925.887890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.887890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.887890 (E_RNA) where: Base-Base interactions energy: -583.847 where: short stacking energy: -252.279 Base-Backbone interact. energy: -3.726 local terms energy: -338.315125 where: bonds (distance) C4'-P energy: -82.763 bonds (distance) P-C4' energy: -76.593 flat angles C4'-P-C4' energy: -76.524 flat angles P-C4'-P energy: -47.520 tors. eta vs tors. theta energy: -54.915 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: 160 Temperature: 1.350000 Total energy: -780.274978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.274978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.274978 (E_RNA) where: Base-Base interactions energy: -456.599 where: short stacking energy: -203.871 Base-Backbone interact. energy: 5.052 local terms energy: -328.727507 where: bonds (distance) C4'-P energy: -77.430 bonds (distance) P-C4' energy: -87.217 flat angles C4'-P-C4' energy: -84.489 flat angles P-C4'-P energy: -47.732 tors. eta vs tors. theta energy: -31.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1848.653488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.653488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.653488 (E_RNA) where: Base-Base interactions energy: -1296.864 where: short stacking energy: -521.060 Base-Backbone interact. energy: -3.444 local terms energy: -548.346075 where: bonds (distance) C4'-P energy: -97.940 bonds (distance) P-C4' energy: -93.482 flat angles C4'-P-C4' energy: -111.995 flat angles P-C4'-P energy: -79.433 tors. eta vs tors. theta energy: -165.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1776.100572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.100572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.100572 (E_RNA) where: Base-Base interactions energy: -1230.535 where: short stacking energy: -507.893 Base-Backbone interact. energy: -0.480 local terms energy: -545.085670 where: bonds (distance) C4'-P energy: -100.937 bonds (distance) P-C4' energy: -98.174 flat angles C4'-P-C4' energy: -116.303 flat angles P-C4'-P energy: -76.042 tors. eta vs tors. theta energy: -153.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1697.759771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.759771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.759771 (E_RNA) where: Base-Base interactions energy: -1181.799 where: short stacking energy: -475.327 Base-Backbone interact. energy: -1.840 local terms energy: -514.120859 where: bonds (distance) C4'-P energy: -98.054 bonds (distance) P-C4' energy: -93.798 flat angles C4'-P-C4' energy: -111.912 flat angles P-C4'-P energy: -70.111 tors. eta vs tors. theta energy: -140.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1658.394642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.394642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.394642 (E_RNA) where: Base-Base interactions energy: -1152.835 where: short stacking energy: -448.508 Base-Backbone interact. energy: 0.640 local terms energy: -506.199742 where: bonds (distance) C4'-P energy: -99.046 bonds (distance) P-C4' energy: -96.983 flat angles C4'-P-C4' energy: -100.911 flat angles P-C4'-P energy: -72.064 tors. eta vs tors. theta energy: -137.196 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: 4 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1480.033798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.033798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.033798 (E_RNA) where: Base-Base interactions energy: -1033.827 where: short stacking energy: -403.446 Base-Backbone interact. energy: -0.824 local terms energy: -445.382902 where: bonds (distance) C4'-P energy: -72.884 bonds (distance) P-C4' energy: -83.495 flat angles C4'-P-C4' energy: -99.765 flat angles P-C4'-P energy: -72.693 tors. eta vs tors. theta energy: -116.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1379.820450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.820450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.820450 (E_RNA) where: Base-Base interactions energy: -939.122 where: short stacking energy: -395.247 Base-Backbone interact. energy: -1.514 local terms energy: -439.183972 where: bonds (distance) C4'-P energy: -96.758 bonds (distance) P-C4' energy: -89.973 flat angles C4'-P-C4' energy: -83.658 flat angles P-C4'-P energy: -55.206 tors. eta vs tors. theta energy: -113.589 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: 10 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1196.285838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.285838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.285838 (E_RNA) where: Base-Base interactions energy: -797.135 where: short stacking energy: -318.867 Base-Backbone interact. energy: 0.118 local terms energy: -399.268518 where: bonds (distance) C4'-P energy: -81.429 bonds (distance) P-C4' energy: -91.243 flat angles C4'-P-C4' energy: -87.820 flat angles P-C4'-P energy: -47.880 tors. eta vs tors. theta energy: -90.897 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: 2 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1075.599803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.599803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.599803 (E_RNA) where: Base-Base interactions energy: -685.700 where: short stacking energy: -294.929 Base-Backbone interact. energy: -0.310 local terms energy: -389.589989 where: bonds (distance) C4'-P energy: -81.423 bonds (distance) P-C4' energy: -90.308 flat angles C4'-P-C4' energy: -85.317 flat angles P-C4'-P energy: -56.967 tors. eta vs tors. theta energy: -75.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -885.814391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.814391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.814391 (E_RNA) where: Base-Base interactions energy: -571.837 where: short stacking energy: -247.557 Base-Backbone interact. energy: -0.465 local terms energy: -313.512698 where: bonds (distance) C4'-P energy: -63.316 bonds (distance) P-C4' energy: -82.434 flat angles C4'-P-C4' energy: -83.294 flat angles P-C4'-P energy: -37.764 tors. eta vs tors. theta energy: -46.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -789.592325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.592325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.592325 (E_RNA) where: Base-Base interactions energy: -480.967 where: short stacking energy: -203.257 Base-Backbone interact. energy: -1.506 local terms energy: -307.120220 where: bonds (distance) C4'-P energy: -83.359 bonds (distance) P-C4' energy: -83.927 flat angles C4'-P-C4' energy: -65.306 flat angles P-C4'-P energy: -40.077 tors. eta vs tors. theta energy: -34.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1836.973027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.973027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.973027 (E_RNA) where: Base-Base interactions energy: -1294.254 where: short stacking energy: -523.615 Base-Backbone interact. energy: -2.601 local terms energy: -540.117581 where: bonds (distance) C4'-P energy: -88.397 bonds (distance) P-C4' energy: -100.707 flat angles C4'-P-C4' energy: -116.627 flat angles P-C4'-P energy: -72.994 tors. eta vs tors. theta energy: -161.393 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: 3 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1764.537563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.537563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.537563 (E_RNA) where: Base-Base interactions energy: -1227.456 where: short stacking energy: -505.056 Base-Backbone interact. energy: -0.887 local terms energy: -536.194588 where: bonds (distance) C4'-P energy: -96.379 bonds (distance) P-C4' energy: -88.664 flat angles C4'-P-C4' energy: -112.042 flat angles P-C4'-P energy: -83.605 tors. eta vs tors. theta energy: -155.505 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: 6 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1709.156678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.156678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.156678 (E_RNA) where: Base-Base interactions energy: -1199.853 where: short stacking energy: -471.992 Base-Backbone interact. energy: -2.709 local terms energy: -506.593987 where: bonds (distance) C4'-P energy: -100.762 bonds (distance) P-C4' energy: -83.986 flat angles C4'-P-C4' energy: -101.971 flat angles P-C4'-P energy: -73.243 tors. eta vs tors. theta energy: -146.633 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: 5 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1651.180007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.180007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.180007 (E_RNA) where: Base-Base interactions energy: -1157.749 where: short stacking energy: -456.407 Base-Backbone interact. energy: -0.338 local terms energy: -493.092403 where: bonds (distance) C4'-P energy: -81.871 bonds (distance) P-C4' energy: -88.822 flat angles C4'-P-C4' energy: -113.616 flat angles P-C4'-P energy: -67.588 tors. eta vs tors. theta energy: -141.196 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: 4 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1504.723106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.723106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.723106 (E_RNA) where: Base-Base interactions energy: -1057.117 where: short stacking energy: -410.386 Base-Backbone interact. energy: -1.796 local terms energy: -445.809952 where: bonds (distance) C4'-P energy: -80.234 bonds (distance) P-C4' energy: -95.503 flat angles C4'-P-C4' energy: -88.163 flat angles P-C4'-P energy: -62.399 tors. eta vs tors. theta energy: -119.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1351.976864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.976864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.976864 (E_RNA) where: Base-Base interactions energy: -929.390 where: short stacking energy: -393.376 Base-Backbone interact. energy: -0.178 local terms energy: -422.409396 where: bonds (distance) C4'-P energy: -71.784 bonds (distance) P-C4' energy: -80.054 flat angles C4'-P-C4' energy: -101.439 flat angles P-C4'-P energy: -65.036 tors. eta vs tors. theta energy: -104.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1222.736072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.736072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.736072 (E_RNA) where: Base-Base interactions energy: -835.331 where: short stacking energy: -339.659 Base-Backbone interact. energy: -0.262 local terms energy: -387.142432 where: bonds (distance) C4'-P energy: -84.124 bonds (distance) P-C4' energy: -80.422 flat angles C4'-P-C4' energy: -93.626 flat angles P-C4'-P energy: -45.419 tors. eta vs tors. theta energy: -83.552 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: 2 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1091.087722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.087722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.087722 (E_RNA) where: Base-Base interactions energy: -728.611 where: short stacking energy: -292.332 Base-Backbone interact. energy: 6.003 local terms energy: -368.480059 where: bonds (distance) C4'-P energy: -75.144 bonds (distance) P-C4' energy: -82.073 flat angles C4'-P-C4' energy: -83.538 flat angles P-C4'-P energy: -56.028 tors. eta vs tors. theta energy: -71.696 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: 8 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -828.867672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.867672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.867672 (E_RNA) where: Base-Base interactions energy: -520.800 where: short stacking energy: -224.892 Base-Backbone interact. energy: -1.868 local terms energy: -306.199316 where: bonds (distance) C4'-P energy: -66.981 bonds (distance) P-C4' energy: -70.693 flat angles C4'-P-C4' energy: -74.621 flat angles P-C4'-P energy: -51.199 tors. eta vs tors. theta energy: -42.705 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: 7 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -860.818341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.818341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.818341 (E_RNA) where: Base-Base interactions energy: -550.280 where: short stacking energy: -249.396 Base-Backbone interact. energy: 0.160 local terms energy: -310.698334 where: bonds (distance) C4'-P energy: -64.375 bonds (distance) P-C4' energy: -83.542 flat angles C4'-P-C4' energy: -71.859 flat angles P-C4'-P energy: -42.495 tors. eta vs tors. theta energy: -48.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1854.395557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.395557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.395557 (E_RNA) where: Base-Base interactions energy: -1293.836 where: short stacking energy: -516.341 Base-Backbone interact. energy: -1.821 local terms energy: -558.738463 where: bonds (distance) C4'-P energy: -109.852 bonds (distance) P-C4' energy: -95.980 flat angles C4'-P-C4' energy: -120.450 flat angles P-C4'-P energy: -72.144 tors. eta vs tors. theta energy: -160.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1763.374951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.374951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.374951 (E_RNA) where: Base-Base interactions energy: -1232.282 where: short stacking energy: -513.152 Base-Backbone interact. energy: -1.277 local terms energy: -529.816011 where: bonds (distance) C4'-P energy: -89.049 bonds (distance) P-C4' energy: -91.822 flat angles C4'-P-C4' energy: -109.446 flat angles P-C4'-P energy: -78.612 tors. eta vs tors. theta energy: -160.886 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: 6 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1702.260309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.260309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.260309 (E_RNA) where: Base-Base interactions energy: -1188.369 where: short stacking energy: -499.875 Base-Backbone interact. energy: -1.907 local terms energy: -511.984218 where: bonds (distance) C4'-P energy: -93.542 bonds (distance) P-C4' energy: -91.022 flat angles C4'-P-C4' energy: -105.737 flat angles P-C4'-P energy: -76.373 tors. eta vs tors. theta energy: -145.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -1599.225826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.225826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.225826 (E_RNA) where: Base-Base interactions energy: -1134.584 where: short stacking energy: -454.946 Base-Backbone interact. energy: -2.133 local terms energy: -462.508708 where: bonds (distance) C4'-P energy: -93.058 bonds (distance) P-C4' energy: -71.466 flat angles C4'-P-C4' energy: -96.010 flat angles P-C4'-P energy: -67.036 tors. eta vs tors. theta energy: -134.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1484.986599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.986599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.986599 (E_RNA) where: Base-Base interactions energy: -1032.724 where: short stacking energy: -407.383 Base-Backbone interact. energy: -0.905 local terms energy: -451.357261 where: bonds (distance) C4'-P energy: -90.624 bonds (distance) P-C4' energy: -78.915 flat angles C4'-P-C4' energy: -93.249 flat angles P-C4'-P energy: -73.059 tors. eta vs tors. theta energy: -115.510 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: 9 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1366.609491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.609491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.609491 (E_RNA) where: Base-Base interactions energy: -908.386 where: short stacking energy: -386.547 Base-Backbone interact. energy: -1.612 local terms energy: -456.611191 where: bonds (distance) C4'-P energy: -77.098 bonds (distance) P-C4' energy: -95.374 flat angles C4'-P-C4' energy: -99.696 flat angles P-C4'-P energy: -67.737 tors. eta vs tors. theta energy: -116.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1264.196268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.196268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.196268 (E_RNA) where: Base-Base interactions energy: -874.998 where: short stacking energy: -367.532 Base-Backbone interact. energy: 4.982 local terms energy: -394.180836 where: bonds (distance) C4'-P energy: -66.579 bonds (distance) P-C4' energy: -92.504 flat angles C4'-P-C4' energy: -82.854 flat angles P-C4'-P energy: -53.592 tors. eta vs tors. theta energy: -98.652 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: 8, replica: 2 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1069.747039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.747039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.747039 (E_RNA) where: Base-Base interactions energy: -709.842 where: short stacking energy: -301.178 Base-Backbone interact. energy: 2.867 local terms energy: -362.772919 where: bonds (distance) C4'-P energy: -72.129 bonds (distance) P-C4' energy: -77.400 flat angles C4'-P-C4' energy: -89.737 flat angles P-C4'-P energy: -48.030 tors. eta vs tors. theta energy: -75.477 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: 8 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -855.321216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.321216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.321216 (E_RNA) where: Base-Base interactions energy: -502.439 where: short stacking energy: -259.360 Base-Backbone interact. energy: -0.862 local terms energy: -352.019981 where: bonds (distance) C4'-P energy: -87.904 bonds (distance) P-C4' energy: -74.799 flat angles C4'-P-C4' energy: -90.365 flat angles P-C4'-P energy: -48.481 tors. eta vs tors. theta energy: -50.470 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: 163 Temperature: 1.350000 Total energy: -853.286159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.286159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.286159 (E_RNA) where: Base-Base interactions energy: -545.858 where: short stacking energy: -234.595 Base-Backbone interact. energy: 0.252 local terms energy: -307.680592 where: bonds (distance) C4'-P energy: -58.693 bonds (distance) P-C4' energy: -87.756 flat angles C4'-P-C4' energy: -72.774 flat angles P-C4'-P energy: -58.754 tors. eta vs tors. theta energy: -29.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1843.142415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.142415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.142415 (E_RNA) where: Base-Base interactions energy: -1322.220 where: short stacking energy: -529.475 Base-Backbone interact. energy: -4.893 local terms energy: -516.030309 where: bonds (distance) C4'-P energy: -96.533 bonds (distance) P-C4' energy: -91.279 flat angles C4'-P-C4' energy: -104.896 flat angles P-C4'-P energy: -63.645 tors. eta vs tors. theta energy: -159.678 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: 3 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1733.123748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.123748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.123748 (E_RNA) where: Base-Base interactions energy: -1217.806 where: short stacking energy: -508.488 Base-Backbone interact. energy: -0.900 local terms energy: -514.417236 where: bonds (distance) C4'-P energy: -76.804 bonds (distance) P-C4' energy: -92.114 flat angles C4'-P-C4' energy: -116.832 flat angles P-C4'-P energy: -79.554 tors. eta vs tors. theta energy: -149.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1690.193281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.193281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.193281 (E_RNA) where: Base-Base interactions energy: -1187.042 where: short stacking energy: -470.612 Base-Backbone interact. energy: -2.521 local terms energy: -500.630431 where: bonds (distance) C4'-P energy: -97.198 bonds (distance) P-C4' energy: -91.357 flat angles C4'-P-C4' energy: -104.197 flat angles P-C4'-P energy: -67.469 tors. eta vs tors. theta energy: -140.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1648.081273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.081273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.081273 (E_RNA) where: Base-Base interactions energy: -1150.862 where: short stacking energy: -474.631 Base-Backbone interact. energy: 0.784 local terms energy: -498.003362 where: bonds (distance) C4'-P energy: -89.522 bonds (distance) P-C4' energy: -91.856 flat angles C4'-P-C4' energy: -111.059 flat angles P-C4'-P energy: -68.701 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: 5, replica: 4 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1553.339265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.339265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.339265 (E_RNA) where: Base-Base interactions energy: -1083.551 where: short stacking energy: -422.879 Base-Backbone interact. energy: -0.514 local terms energy: -469.275136 where: bonds (distance) C4'-P energy: -87.540 bonds (distance) P-C4' energy: -90.572 flat angles C4'-P-C4' energy: -108.946 flat angles P-C4'-P energy: -67.387 tors. eta vs tors. theta energy: -114.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1368.331400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.331400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.331400 (E_RNA) where: Base-Base interactions energy: -926.831 where: short stacking energy: -389.372 Base-Backbone interact. energy: 1.335 local terms energy: -442.835537 where: bonds (distance) C4'-P energy: -93.153 bonds (distance) P-C4' energy: -86.862 flat angles C4'-P-C4' energy: -97.057 flat angles P-C4'-P energy: -62.247 tors. eta vs tors. theta energy: -103.516 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: 10 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1224.858069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.858069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.858069 (E_RNA) where: Base-Base interactions energy: -797.986 where: short stacking energy: -326.871 Base-Backbone interact. energy: -2.598 local terms energy: -424.274911 where: bonds (distance) C4'-P energy: -88.345 bonds (distance) P-C4' energy: -103.624 flat angles C4'-P-C4' energy: -87.901 flat angles P-C4'-P energy: -63.472 tors. eta vs tors. theta energy: -80.933 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: 2 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1082.771568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.771568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.771568 (E_RNA) where: Base-Base interactions energy: -697.726 where: short stacking energy: -304.067 Base-Backbone interact. energy: 1.101 local terms energy: -386.146630 where: bonds (distance) C4'-P energy: -73.768 bonds (distance) P-C4' energy: -95.537 flat angles C4'-P-C4' energy: -85.639 flat angles P-C4'-P energy: -65.242 tors. eta vs tors. theta energy: -65.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -933.122426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.122426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.122426 (E_RNA) where: Base-Base interactions energy: -565.344 where: short stacking energy: -261.795 Base-Backbone interact. energy: -1.775 local terms energy: -366.003285 where: bonds (distance) C4'-P energy: -84.907 bonds (distance) P-C4' energy: -89.077 flat angles C4'-P-C4' energy: -82.195 flat angles P-C4'-P energy: -59.416 tors. eta vs tors. theta energy: -50.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -825.539855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.539855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.539855 (E_RNA) where: Base-Base interactions energy: -532.070 where: short stacking energy: -214.223 Base-Backbone interact. energy: 5.171 local terms energy: -298.640959 where: bonds (distance) C4'-P energy: -80.839 bonds (distance) P-C4' energy: -76.776 flat angles C4'-P-C4' energy: -75.166 flat angles P-C4'-P energy: -41.573 tors. eta vs tors. theta energy: -24.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1846.408152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.408152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.408152 (E_RNA) where: Base-Base interactions energy: -1314.847 where: short stacking energy: -520.411 Base-Backbone interact. energy: -2.803 local terms energy: -528.757254 where: bonds (distance) C4'-P energy: -111.269 bonds (distance) P-C4' energy: -83.384 flat angles C4'-P-C4' energy: -102.638 flat angles P-C4'-P energy: -77.347 tors. eta vs tors. theta energy: -154.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1748.087215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.087215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.087215 (E_RNA) where: Base-Base interactions energy: -1210.841 where: short stacking energy: -504.648 Base-Backbone interact. energy: 0.632 local terms energy: -537.878762 where: bonds (distance) C4'-P energy: -99.072 bonds (distance) P-C4' energy: -87.952 flat angles C4'-P-C4' energy: -115.406 flat angles P-C4'-P energy: -82.694 tors. eta vs tors. theta energy: -152.754 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: 3, replica: 6 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1689.902455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.902455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.902455 (E_RNA) where: Base-Base interactions energy: -1223.901 where: short stacking energy: -491.109 Base-Backbone interact. energy: -1.217 local terms energy: -464.784596 where: bonds (distance) C4'-P energy: -74.274 bonds (distance) P-C4' energy: -86.945 flat angles C4'-P-C4' energy: -104.470 flat angles P-C4'-P energy: -56.172 tors. eta vs tors. theta energy: -142.924 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: 4, replica: 5 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1641.938917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.938917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.938917 (E_RNA) where: Base-Base interactions energy: -1130.559 where: short stacking energy: -464.023 Base-Backbone interact. energy: -2.856 local terms energy: -508.523778 where: bonds (distance) C4'-P energy: -92.497 bonds (distance) P-C4' energy: -99.011 flat angles C4'-P-C4' energy: -109.681 flat angles P-C4'-P energy: -70.977 tors. eta vs tors. theta energy: -136.358 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: 5, replica: 4 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1544.622477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.622477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.622477 (E_RNA) where: Base-Base interactions energy: -1094.952 where: short stacking energy: -404.752 Base-Backbone interact. energy: -1.950 local terms energy: -447.719831 where: bonds (distance) C4'-P energy: -87.581 bonds (distance) P-C4' energy: -77.381 flat angles C4'-P-C4' energy: -100.724 flat angles P-C4'-P energy: -61.644 tors. eta vs tors. theta energy: -120.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1380.562944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.562944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.562944 (E_RNA) where: Base-Base interactions energy: -955.046 where: short stacking energy: -398.046 Base-Backbone interact. energy: 0.642 local terms energy: -426.159308 where: bonds (distance) C4'-P energy: -83.696 bonds (distance) P-C4' energy: -85.366 flat angles C4'-P-C4' energy: -91.950 flat angles P-C4'-P energy: -56.449 tors. eta vs tors. theta energy: -108.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1284.491406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.491406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.491406 (E_RNA) where: Base-Base interactions energy: -877.517 where: short stacking energy: -362.448 Base-Backbone interact. energy: -1.917 local terms energy: -405.058046 where: bonds (distance) C4'-P energy: -91.011 bonds (distance) P-C4' energy: -76.058 flat angles C4'-P-C4' energy: -82.735 flat angles P-C4'-P energy: -57.769 tors. eta vs tors. theta energy: -97.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1096.208935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.208935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.208935 (E_RNA) where: Base-Base interactions energy: -697.680 where: short stacking energy: -283.815 Base-Backbone interact. energy: 1.973 local terms energy: -400.502375 where: bonds (distance) C4'-P energy: -103.073 bonds (distance) P-C4' energy: -91.729 flat angles C4'-P-C4' energy: -81.288 flat angles P-C4'-P energy: -52.796 tors. eta vs tors. theta energy: -71.617 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: 7 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -893.758750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.758750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.758750 (E_RNA) where: Base-Base interactions energy: -562.131 where: short stacking energy: -237.706 Base-Backbone interact. energy: 0.463 local terms energy: -332.090370 where: bonds (distance) C4'-P energy: -68.945 bonds (distance) P-C4' energy: -80.794 flat angles C4'-P-C4' energy: -72.879 flat angles P-C4'-P energy: -57.474 tors. eta vs tors. theta energy: -51.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -803.878289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.878289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.878289 (E_RNA) where: Base-Base interactions energy: -490.548 where: short stacking energy: -222.307 Base-Backbone interact. energy: 5.259 local terms energy: -318.589093 where: bonds (distance) C4'-P energy: -79.927 bonds (distance) P-C4' energy: -85.506 flat angles C4'-P-C4' energy: -66.466 flat angles P-C4'-P energy: -46.454 tors. eta vs tors. theta energy: -40.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1830.933778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.933778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.933778 (E_RNA) where: Base-Base interactions energy: -1285.136 where: short stacking energy: -519.345 Base-Backbone interact. energy: -3.972 local terms energy: -541.825561 where: bonds (distance) C4'-P energy: -100.888 bonds (distance) P-C4' energy: -101.998 flat angles C4'-P-C4' energy: -110.848 flat angles P-C4'-P energy: -71.040 tors. eta vs tors. theta energy: -157.051 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: 3 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1736.060487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.060487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.060487 (E_RNA) where: Base-Base interactions energy: -1201.770 where: short stacking energy: -493.671 Base-Backbone interact. energy: -1.616 local terms energy: -532.673635 where: bonds (distance) C4'-P energy: -92.568 bonds (distance) P-C4' energy: -91.549 flat angles C4'-P-C4' energy: -106.954 flat angles P-C4'-P energy: -85.637 tors. eta vs tors. theta energy: -155.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1710.464239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.464239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.464239 (E_RNA) where: Base-Base interactions energy: -1196.569 where: short stacking energy: -467.936 Base-Backbone interact. energy: -2.857 local terms energy: -511.038205 where: bonds (distance) C4'-P energy: -92.674 bonds (distance) P-C4' energy: -100.698 flat angles C4'-P-C4' energy: -110.142 flat angles P-C4'-P energy: -68.396 tors. eta vs tors. theta energy: -139.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1650.317661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.317661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.317661 (E_RNA) where: Base-Base interactions energy: -1154.928 where: short stacking energy: -448.619 Base-Backbone interact. energy: -1.399 local terms energy: -493.991318 where: bonds (distance) C4'-P energy: -84.094 bonds (distance) P-C4' energy: -95.510 flat angles C4'-P-C4' energy: -102.440 flat angles P-C4'-P energy: -61.971 tors. eta vs tors. theta energy: -149.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1584.274783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.274783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.274783 (E_RNA) where: Base-Base interactions energy: -1126.279 where: short stacking energy: -440.753 Base-Backbone interact. energy: 0.054 local terms energy: -458.049615 where: bonds (distance) C4'-P energy: -103.119 bonds (distance) P-C4' energy: -75.380 flat angles C4'-P-C4' energy: -91.124 flat angles P-C4'-P energy: -68.073 tors. eta vs tors. theta energy: -120.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1364.244682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.244682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.244682 (E_RNA) where: Base-Base interactions energy: -932.827 where: short stacking energy: -388.966 Base-Backbone interact. energy: -1.398 local terms energy: -430.019393 where: bonds (distance) C4'-P energy: -83.993 bonds (distance) P-C4' energy: -85.814 flat angles C4'-P-C4' energy: -92.777 flat angles P-C4'-P energy: -64.554 tors. eta vs tors. theta energy: -102.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1298.365615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.365615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.365615 (E_RNA) where: Base-Base interactions energy: -878.763 where: short stacking energy: -338.801 Base-Backbone interact. energy: -0.305 local terms energy: -419.297762 where: bonds (distance) C4'-P energy: -74.988 bonds (distance) P-C4' energy: -93.366 flat angles C4'-P-C4' energy: -93.520 flat angles P-C4'-P energy: -64.410 tors. eta vs tors. theta energy: -93.014 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: 2 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1108.201398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.201398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.201398 (E_RNA) where: Base-Base interactions energy: -727.564 where: short stacking energy: -302.464 Base-Backbone interact. energy: -2.975 local terms energy: -377.662194 where: bonds (distance) C4'-P energy: -84.306 bonds (distance) P-C4' energy: -81.538 flat angles C4'-P-C4' energy: -82.647 flat angles P-C4'-P energy: -54.341 tors. eta vs tors. theta energy: -74.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -870.481707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.481707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.481707 (E_RNA) where: Base-Base interactions energy: -529.293 where: short stacking energy: -249.526 Base-Backbone interact. energy: 0.888 local terms energy: -342.076244 where: bonds (distance) C4'-P energy: -69.915 bonds (distance) P-C4' energy: -87.350 flat angles C4'-P-C4' energy: -89.024 flat angles P-C4'-P energy: -51.199 tors. eta vs tors. theta energy: -44.588 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: 8 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -785.819625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.819625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.819625 (E_RNA) where: Base-Base interactions energy: -485.055 where: short stacking energy: -200.847 Base-Backbone interact. energy: 1.190 local terms energy: -301.954404 where: bonds (distance) C4'-P energy: -88.220 bonds (distance) P-C4' energy: -81.400 flat angles C4'-P-C4' energy: -71.571 flat angles P-C4'-P energy: -47.847 tors. eta vs tors. theta energy: -12.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1855.596816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.596816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.596816 (E_RNA) where: Base-Base interactions energy: -1312.659 where: short stacking energy: -531.597 Base-Backbone interact. energy: -2.048 local terms energy: -540.890265 where: bonds (distance) C4'-P energy: -92.448 bonds (distance) P-C4' energy: -93.000 flat angles C4'-P-C4' energy: -108.335 flat angles P-C4'-P energy: -80.116 tors. eta vs tors. theta energy: -166.990 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: 2, replica: 3 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1732.688691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.688691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.688691 (E_RNA) where: Base-Base interactions energy: -1195.383 where: short stacking energy: -510.367 Base-Backbone interact. energy: -0.030 local terms energy: -537.276272 where: bonds (distance) C4'-P energy: -88.168 bonds (distance) P-C4' energy: -109.894 flat angles C4'-P-C4' energy: -102.239 flat angles P-C4'-P energy: -80.149 tors. eta vs tors. theta energy: -156.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1702.797419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.797419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.797419 (E_RNA) where: Base-Base interactions energy: -1214.525 where: short stacking energy: -473.011 Base-Backbone interact. energy: -1.697 local terms energy: -486.575286 where: bonds (distance) C4'-P energy: -70.532 bonds (distance) P-C4' energy: -103.470 flat angles C4'-P-C4' energy: -102.745 flat angles P-C4'-P energy: -70.156 tors. eta vs tors. theta energy: -139.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1676.438320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.438320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.438320 (E_RNA) where: Base-Base interactions energy: -1150.929 where: short stacking energy: -459.471 Base-Backbone interact. energy: 1.049 local terms energy: -526.558717 where: bonds (distance) C4'-P energy: -100.473 bonds (distance) P-C4' energy: -82.870 flat angles C4'-P-C4' energy: -112.491 flat angles P-C4'-P energy: -79.158 tors. eta vs tors. theta energy: -151.566 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: 4 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1559.537270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.537270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.537270 (E_RNA) where: Base-Base interactions energy: -1106.696 where: short stacking energy: -434.951 Base-Backbone interact. energy: 1.053 local terms energy: -453.894366 where: bonds (distance) C4'-P energy: -73.767 bonds (distance) P-C4' energy: -100.202 flat angles C4'-P-C4' energy: -88.243 flat angles P-C4'-P energy: -66.636 tors. eta vs tors. theta energy: -125.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1350.049354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.049354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.049354 (E_RNA) where: Base-Base interactions energy: -916.599 where: short stacking energy: -368.062 Base-Backbone interact. energy: 0.643 local terms energy: -434.092634 where: bonds (distance) C4'-P energy: -73.075 bonds (distance) P-C4' energy: -88.598 flat angles C4'-P-C4' energy: -94.301 flat angles P-C4'-P energy: -77.616 tors. eta vs tors. theta energy: -100.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1235.616724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.616724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.616724 (E_RNA) where: Base-Base interactions energy: -830.075 where: short stacking energy: -351.699 Base-Backbone interact. energy: -0.535 local terms energy: -405.006872 where: bonds (distance) C4'-P energy: -83.526 bonds (distance) P-C4' energy: -85.816 flat angles C4'-P-C4' energy: -88.034 flat angles P-C4'-P energy: -55.630 tors. eta vs tors. theta energy: -92.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1168.594827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.594827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.594827 (E_RNA) where: Base-Base interactions energy: -766.594 where: short stacking energy: -308.797 Base-Backbone interact. energy: -2.816 local terms energy: -399.184781 where: bonds (distance) C4'-P energy: -78.981 bonds (distance) P-C4' energy: -98.991 flat angles C4'-P-C4' energy: -79.871 flat angles P-C4'-P energy: -61.269 tors. eta vs tors. theta energy: -80.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -878.020025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.020025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.020025 (E_RNA) where: Base-Base interactions energy: -537.168 where: short stacking energy: -240.472 Base-Backbone interact. energy: -0.118 local terms energy: -340.734513 where: bonds (distance) C4'-P energy: -80.087 bonds (distance) P-C4' energy: -83.506 flat angles C4'-P-C4' energy: -73.371 flat angles P-C4'-P energy: -44.459 tors. eta vs tors. theta energy: -59.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -825.983036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.983036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.983036 (E_RNA) where: Base-Base interactions energy: -509.760 where: short stacking energy: -211.638 Base-Backbone interact. energy: 1.383 local terms energy: -317.605762 where: bonds (distance) C4'-P energy: -81.055 bonds (distance) P-C4' energy: -72.498 flat angles C4'-P-C4' energy: -80.786 flat angles P-C4'-P energy: -45.278 tors. eta vs tors. theta energy: -37.989 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: 1, replica: 1 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1845.584286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.584286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.584286 (E_RNA) where: Base-Base interactions energy: -1301.682 where: short stacking energy: -500.921 Base-Backbone interact. energy: 0.969 local terms energy: -544.871302 where: bonds (distance) C4'-P energy: -96.627 bonds (distance) P-C4' energy: -90.407 flat angles C4'-P-C4' energy: -111.319 flat angles P-C4'-P energy: -81.553 tors. eta vs tors. theta energy: -164.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1754.538099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.538099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.538099 (E_RNA) where: Base-Base interactions energy: -1217.409 where: short stacking energy: -505.874 Base-Backbone interact. energy: -0.939 local terms energy: -536.189416 where: bonds (distance) C4'-P energy: -92.036 bonds (distance) P-C4' energy: -102.740 flat angles C4'-P-C4' energy: -104.786 flat angles P-C4'-P energy: -81.404 tors. eta vs tors. theta energy: -155.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1696.641235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.641235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.641235 (E_RNA) where: Base-Base interactions energy: -1179.672 where: short stacking energy: -474.788 Base-Backbone interact. energy: -0.482 local terms energy: -516.487392 where: bonds (distance) C4'-P energy: -86.078 bonds (distance) P-C4' energy: -96.736 flat angles C4'-P-C4' energy: -109.063 flat angles P-C4'-P energy: -76.724 tors. eta vs tors. theta energy: -147.886 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: 4, replica: 6 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1669.538598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.538598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.538598 (E_RNA) where: Base-Base interactions energy: -1182.711 where: short stacking energy: -448.370 Base-Backbone interact. energy: -2.544 local terms energy: -484.283832 where: bonds (distance) C4'-P energy: -86.923 bonds (distance) P-C4' energy: -88.284 flat angles C4'-P-C4' energy: -105.843 flat angles P-C4'-P energy: -67.234 tors. eta vs tors. theta energy: -135.999 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: 4 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1579.176944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.176944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.176944 (E_RNA) where: Base-Base interactions energy: -1121.034 where: short stacking energy: -425.533 Base-Backbone interact. energy: -1.193 local terms energy: -456.950026 where: bonds (distance) C4'-P energy: -93.413 bonds (distance) P-C4' energy: -92.989 flat angles C4'-P-C4' energy: -94.649 flat angles P-C4'-P energy: -56.836 tors. eta vs tors. theta energy: -119.063 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: 9 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1412.667520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.667520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.667520 (E_RNA) where: Base-Base interactions energy: -976.677 where: short stacking energy: -391.941 Base-Backbone interact. energy: -0.747 local terms energy: -435.243521 where: bonds (distance) C4'-P energy: -71.777 bonds (distance) P-C4' energy: -86.528 flat angles C4'-P-C4' energy: -94.278 flat angles P-C4'-P energy: -61.594 tors. eta vs tors. theta energy: -121.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1171.993032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.993032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.993032 (E_RNA) where: Base-Base interactions energy: -778.139 where: short stacking energy: -320.909 Base-Backbone interact. energy: -0.664 local terms energy: -393.190028 where: bonds (distance) C4'-P energy: -82.552 bonds (distance) P-C4' energy: -69.378 flat angles C4'-P-C4' energy: -90.791 flat angles P-C4'-P energy: -65.304 tors. eta vs tors. theta energy: -85.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1165.821670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.821670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.821670 (E_RNA) where: Base-Base interactions energy: -746.827 where: short stacking energy: -312.059 Base-Backbone interact. energy: -1.593 local terms energy: -417.401215 where: bonds (distance) C4'-P energy: -81.724 bonds (distance) P-C4' energy: -74.880 flat angles C4'-P-C4' energy: -93.193 flat angles P-C4'-P energy: -71.993 tors. eta vs tors. theta energy: -95.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -891.455344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.455344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.455344 (E_RNA) where: Base-Base interactions energy: -590.070 where: short stacking energy: -259.349 Base-Backbone interact. energy: 2.521 local terms energy: -303.906017 where: bonds (distance) C4'-P energy: -59.496 bonds (distance) P-C4' energy: -82.231 flat angles C4'-P-C4' energy: -80.371 flat angles P-C4'-P energy: -38.416 tors. eta vs tors. theta energy: -43.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -835.650284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.650284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.650284 (E_RNA) where: Base-Base interactions energy: -548.507 where: short stacking energy: -249.198 Base-Backbone interact. energy: -0.957 local terms energy: -286.187100 where: bonds (distance) C4'-P energy: -62.699 bonds (distance) P-C4' energy: -67.776 flat angles C4'-P-C4' energy: -72.056 flat angles P-C4'-P energy: -38.420 tors. eta vs tors. theta energy: -45.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1841.369856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.369856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.369856 (E_RNA) where: Base-Base interactions energy: -1306.997 where: short stacking energy: -515.224 Base-Backbone interact. energy: -2.236 local terms energy: -532.137001 where: bonds (distance) C4'-P energy: -88.813 bonds (distance) P-C4' energy: -91.301 flat angles C4'-P-C4' energy: -120.061 flat angles P-C4'-P energy: -75.709 tors. eta vs tors. theta energy: -156.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1755.606847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.606847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.606847 (E_RNA) where: Base-Base interactions energy: -1216.825 where: short stacking energy: -494.239 Base-Backbone interact. energy: -0.548 local terms energy: -538.233631 where: bonds (distance) C4'-P energy: -96.427 bonds (distance) P-C4' energy: -96.169 flat angles C4'-P-C4' energy: -109.848 flat angles P-C4'-P energy: -85.361 tors. eta vs tors. theta energy: -150.428 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: 5 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1702.269378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.269378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.269378 (E_RNA) where: Base-Base interactions energy: -1198.503 where: short stacking energy: -490.600 Base-Backbone interact. energy: 1.463 local terms energy: -505.230157 where: bonds (distance) C4'-P energy: -99.784 bonds (distance) P-C4' energy: -92.561 flat angles C4'-P-C4' energy: -99.983 flat angles P-C4'-P energy: -63.902 tors. eta vs tors. theta energy: -149.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1639.716600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.716600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.716600 (E_RNA) where: Base-Base interactions energy: -1154.769 where: short stacking energy: -450.956 Base-Backbone interact. energy: -2.762 local terms energy: -482.185697 where: bonds (distance) C4'-P energy: -89.987 bonds (distance) P-C4' energy: -84.398 flat angles C4'-P-C4' energy: -96.653 flat angles P-C4'-P energy: -74.448 tors. eta vs tors. theta energy: -136.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1567.399923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.399923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.399923 (E_RNA) where: Base-Base interactions energy: -1129.109 where: short stacking energy: -443.066 Base-Backbone interact. energy: 3.408 local terms energy: -441.699421 where: bonds (distance) C4'-P energy: -74.890 bonds (distance) P-C4' energy: -88.820 flat angles C4'-P-C4' energy: -93.622 flat angles P-C4'-P energy: -62.949 tors. eta vs tors. theta energy: -121.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1419.661830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.661830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.661830 (E_RNA) where: Base-Base interactions energy: -978.249 where: short stacking energy: -401.279 Base-Backbone interact. energy: -0.888 local terms energy: -440.524637 where: bonds (distance) C4'-P energy: -95.896 bonds (distance) P-C4' energy: -77.189 flat angles C4'-P-C4' energy: -94.344 flat angles P-C4'-P energy: -60.733 tors. eta vs tors. theta energy: -112.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1179.692751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.692751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.692751 (E_RNA) where: Base-Base interactions energy: -799.459 where: short stacking energy: -328.065 Base-Backbone interact. energy: 0.972 local terms energy: -381.205028 where: bonds (distance) C4'-P energy: -79.309 bonds (distance) P-C4' energy: -68.519 flat angles C4'-P-C4' energy: -81.170 flat angles P-C4'-P energy: -61.852 tors. eta vs tors. theta energy: -90.356 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: 2 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1151.148942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.148942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.148942 (E_RNA) where: Base-Base interactions energy: -768.699 where: short stacking energy: -324.874 Base-Backbone interact. energy: -1.536 local terms energy: -380.914155 where: bonds (distance) C4'-P energy: -56.936 bonds (distance) P-C4' energy: -87.532 flat angles C4'-P-C4' energy: -81.892 flat angles P-C4'-P energy: -53.202 tors. eta vs tors. theta energy: -101.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -893.602953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.602953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.602953 (E_RNA) where: Base-Base interactions energy: -560.457 where: short stacking energy: -232.001 Base-Backbone interact. energy: -0.674 local terms energy: -332.472282 where: bonds (distance) C4'-P energy: -94.584 bonds (distance) P-C4' energy: -77.298 flat angles C4'-P-C4' energy: -63.426 flat angles P-C4'-P energy: -58.136 tors. eta vs tors. theta energy: -39.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -783.931804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.931804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.931804 (E_RNA) where: Base-Base interactions energy: -484.040 where: short stacking energy: -218.083 Base-Backbone interact. energy: -0.861 local terms energy: -299.030883 where: bonds (distance) C4'-P energy: -88.402 bonds (distance) P-C4' energy: -73.474 flat angles C4'-P-C4' energy: -67.746 flat angles P-C4'-P energy: -45.487 tors. eta vs tors. theta energy: -23.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1848.717129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.717129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.717129 (E_RNA) where: Base-Base interactions energy: -1299.571 where: short stacking energy: -519.915 Base-Backbone interact. energy: -4.374 local terms energy: -544.772260 where: bonds (distance) C4'-P energy: -100.609 bonds (distance) P-C4' energy: -98.871 flat angles C4'-P-C4' energy: -106.117 flat angles P-C4'-P energy: -80.943 tors. eta vs tors. theta energy: -158.233 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: 3 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -1757.614015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.614015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.614015 (E_RNA) where: Base-Base interactions energy: -1223.854 where: short stacking energy: -515.413 Base-Backbone interact. energy: -0.563 local terms energy: -533.196458 where: bonds (distance) C4'-P energy: -88.222 bonds (distance) P-C4' energy: -90.950 flat angles C4'-P-C4' energy: -111.590 flat angles P-C4'-P energy: -84.321 tors. eta vs tors. theta energy: -158.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1707.895248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.895248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.895248 (E_RNA) where: Base-Base interactions energy: -1199.314 where: short stacking energy: -490.207 Base-Backbone interact. energy: -0.886 local terms energy: -507.695333 where: bonds (distance) C4'-P energy: -84.662 bonds (distance) P-C4' energy: -97.153 flat angles C4'-P-C4' energy: -103.073 flat angles P-C4'-P energy: -67.944 tors. eta vs tors. theta energy: -154.864 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: 4, replica: 6 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1626.623792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.623792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.623792 (E_RNA) where: Base-Base interactions energy: -1134.048 where: short stacking energy: -443.732 Base-Backbone interact. energy: -0.740 local terms energy: -491.835757 where: bonds (distance) C4'-P energy: -84.153 bonds (distance) P-C4' energy: -96.160 flat angles C4'-P-C4' energy: -104.203 flat angles P-C4'-P energy: -70.424 tors. eta vs tors. theta energy: -136.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1568.986537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.986537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.986537 (E_RNA) where: Base-Base interactions energy: -1110.171 where: short stacking energy: -429.768 Base-Backbone interact. energy: 2.446 local terms energy: -461.260910 where: bonds (distance) C4'-P energy: -79.154 bonds (distance) P-C4' energy: -93.582 flat angles C4'-P-C4' energy: -108.351 flat angles P-C4'-P energy: -64.435 tors. eta vs tors. theta energy: -115.739 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: 9 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1406.163820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.163820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.163820 (E_RNA) where: Base-Base interactions energy: -933.571 where: short stacking energy: -416.956 Base-Backbone interact. energy: -1.302 local terms energy: -471.291051 where: bonds (distance) C4'-P energy: -90.887 bonds (distance) P-C4' energy: -90.453 flat angles C4'-P-C4' energy: -97.700 flat angles P-C4'-P energy: -62.525 tors. eta vs tors. theta energy: -129.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1248.416839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.416839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.416839 (E_RNA) where: Base-Base interactions energy: -841.201 where: short stacking energy: -349.921 Base-Backbone interact. energy: 0.253 local terms energy: -407.469103 where: bonds (distance) C4'-P energy: -78.867 bonds (distance) P-C4' energy: -93.497 flat angles C4'-P-C4' energy: -78.111 flat angles P-C4'-P energy: -70.394 tors. eta vs tors. theta energy: -86.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1132.069404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.069404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.069404 (E_RNA) where: Base-Base interactions energy: -757.186 where: short stacking energy: -313.383 Base-Backbone interact. energy: -1.457 local terms energy: -373.426731 where: bonds (distance) C4'-P energy: -71.945 bonds (distance) P-C4' energy: -78.648 flat angles C4'-P-C4' energy: -82.052 flat angles P-C4'-P energy: -49.417 tors. eta vs tors. theta energy: -91.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -877.954765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.954765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.954765 (E_RNA) where: Base-Base interactions energy: -567.829 where: short stacking energy: -234.890 Base-Backbone interact. energy: -1.044 local terms energy: -309.081631 where: bonds (distance) C4'-P energy: -73.634 bonds (distance) P-C4' energy: -76.757 flat angles C4'-P-C4' energy: -77.647 flat angles P-C4'-P energy: -40.832 tors. eta vs tors. theta energy: -40.211 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: 10, replica: 8 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -817.614660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.614660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.614660 (E_RNA) where: Base-Base interactions energy: -510.821 where: short stacking energy: -228.346 Base-Backbone interact. energy: -0.975 local terms energy: -305.818600 where: bonds (distance) C4'-P energy: -79.050 bonds (distance) P-C4' energy: -79.889 flat angles C4'-P-C4' energy: -52.855 flat angles P-C4'-P energy: -54.444 tors. eta vs tors. theta energy: -39.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1860.637082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.637082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.637082 (E_RNA) where: Base-Base interactions energy: -1315.584 where: short stacking energy: -517.882 Base-Backbone interact. energy: -3.019 local terms energy: -542.033450 where: bonds (distance) C4'-P energy: -91.847 bonds (distance) P-C4' energy: -100.869 flat angles C4'-P-C4' energy: -114.647 flat angles P-C4'-P energy: -74.208 tors. eta vs tors. theta energy: -160.462 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: 171 Temperature: 0.950000 Total energy: -1735.177995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.177995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.177995 (E_RNA) where: Base-Base interactions energy: -1202.885 where: short stacking energy: -508.407 Base-Backbone interact. energy: -2.463 local terms energy: -529.830464 where: bonds (distance) C4'-P energy: -89.594 bonds (distance) P-C4' energy: -95.831 flat angles C4'-P-C4' energy: -114.278 flat angles P-C4'-P energy: -73.822 tors. eta vs tors. theta energy: -156.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1737.508058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.508058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.508058 (E_RNA) where: Base-Base interactions energy: -1219.934 where: short stacking energy: -487.142 Base-Backbone interact. energy: -1.762 local terms energy: -515.811968 where: bonds (distance) C4'-P energy: -92.686 bonds (distance) P-C4' energy: -74.800 flat angles C4'-P-C4' energy: -115.375 flat angles P-C4'-P energy: -81.603 tors. eta vs tors. theta energy: -151.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1632.014230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.014230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.014230 (E_RNA) where: Base-Base interactions energy: -1160.997 where: short stacking energy: -463.009 Base-Backbone interact. energy: -0.281 local terms energy: -470.736465 where: bonds (distance) C4'-P energy: -86.557 bonds (distance) P-C4' energy: -90.505 flat angles C4'-P-C4' energy: -94.068 flat angles P-C4'-P energy: -70.811 tors. eta vs tors. theta energy: -128.795 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: 171 Temperature: 1.100000 Total energy: -1580.127832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.127832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.127832 (E_RNA) where: Base-Base interactions energy: -1122.710 where: short stacking energy: -454.901 Base-Backbone interact. energy: 1.057 local terms energy: -458.474524 where: bonds (distance) C4'-P energy: -88.518 bonds (distance) P-C4' energy: -78.853 flat angles C4'-P-C4' energy: -89.558 flat angles P-C4'-P energy: -69.873 tors. eta vs tors. theta energy: -131.673 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: 9 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1379.032402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.032402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.032402 (E_RNA) where: Base-Base interactions energy: -940.089 where: short stacking energy: -389.680 Base-Backbone interact. energy: -1.744 local terms energy: -437.199816 where: bonds (distance) C4'-P energy: -87.640 bonds (distance) P-C4' energy: -90.996 flat angles C4'-P-C4' energy: -96.445 flat angles P-C4'-P energy: -60.996 tors. eta vs tors. theta energy: -101.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1184.410663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.410663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.410663 (E_RNA) where: Base-Base interactions energy: -778.367 where: short stacking energy: -356.826 Base-Backbone interact. energy: -1.735 local terms energy: -404.308334 where: bonds (distance) C4'-P energy: -82.437 bonds (distance) P-C4' energy: -85.127 flat angles C4'-P-C4' energy: -87.528 flat angles P-C4'-P energy: -49.771 tors. eta vs tors. theta energy: -99.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1101.432512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.432512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.432512 (E_RNA) where: Base-Base interactions energy: -737.841 where: short stacking energy: -326.714 Base-Backbone interact. energy: 2.700 local terms energy: -366.291768 where: bonds (distance) C4'-P energy: -71.505 bonds (distance) P-C4' energy: -89.212 flat angles C4'-P-C4' energy: -86.636 flat angles P-C4'-P energy: -42.267 tors. eta vs tors. theta energy: -76.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -855.704403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.704403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.704403 (E_RNA) where: Base-Base interactions energy: -557.851 where: short stacking energy: -248.316 Base-Backbone interact. energy: -1.897 local terms energy: -295.957092 where: bonds (distance) C4'-P energy: -59.380 bonds (distance) P-C4' energy: -72.036 flat angles C4'-P-C4' energy: -82.645 flat angles P-C4'-P energy: -41.812 tors. eta vs tors. theta energy: -40.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -817.672553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.672553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.672553 (E_RNA) where: Base-Base interactions energy: -498.438 where: short stacking energy: -231.292 Base-Backbone interact. energy: -0.093 local terms energy: -319.141318 where: bonds (distance) C4'-P energy: -74.094 bonds (distance) P-C4' energy: -79.391 flat angles C4'-P-C4' energy: -90.176 flat angles P-C4'-P energy: -32.270 tors. eta vs tors. theta energy: -43.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1845.856638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.856638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.856638 (E_RNA) where: Base-Base interactions energy: -1297.780 where: short stacking energy: -521.903 Base-Backbone interact. energy: -3.768 local terms energy: -544.309282 where: bonds (distance) C4'-P energy: -93.003 bonds (distance) P-C4' energy: -102.351 flat angles C4'-P-C4' energy: -106.817 flat angles P-C4'-P energy: -85.983 tors. eta vs tors. theta energy: -156.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1718.251928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.251928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.251928 (E_RNA) where: Base-Base interactions energy: -1188.803 where: short stacking energy: -496.941 Base-Backbone interact. energy: -0.944 local terms energy: -528.505484 where: bonds (distance) C4'-P energy: -99.491 bonds (distance) P-C4' energy: -102.163 flat angles C4'-P-C4' energy: -100.448 flat angles P-C4'-P energy: -66.409 tors. eta vs tors. theta energy: -159.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1732.362960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.362960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.362960 (E_RNA) where: Base-Base interactions energy: -1200.590 where: short stacking energy: -504.814 Base-Backbone interact. energy: -2.299 local terms energy: -529.473690 where: bonds (distance) C4'-P energy: -93.950 bonds (distance) P-C4' energy: -93.168 flat angles C4'-P-C4' energy: -108.432 flat angles P-C4'-P energy: -80.310 tors. eta vs tors. theta energy: -153.613 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: 6 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1671.159442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.159442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.159442 (E_RNA) where: Base-Base interactions energy: -1173.069 where: short stacking energy: -466.295 Base-Backbone interact. energy: -1.171 local terms energy: -496.920017 where: bonds (distance) C4'-P energy: -92.397 bonds (distance) P-C4' energy: -91.894 flat angles C4'-P-C4' energy: -107.363 flat angles P-C4'-P energy: -66.898 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: 5, replica: 4 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1560.771237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.771237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.771237 (E_RNA) where: Base-Base interactions energy: -1108.965 where: short stacking energy: -424.172 Base-Backbone interact. energy: 1.383 local terms energy: -453.189189 where: bonds (distance) C4'-P energy: -90.073 bonds (distance) P-C4' energy: -78.563 flat angles C4'-P-C4' energy: -99.620 flat angles P-C4'-P energy: -61.815 tors. eta vs tors. theta energy: -123.118 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: 6, replica: 9 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1359.994637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.994637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.994637 (E_RNA) where: Base-Base interactions energy: -937.553 where: short stacking energy: -405.994 Base-Backbone interact. energy: -0.594 local terms energy: -421.847471 where: bonds (distance) C4'-P energy: -77.197 bonds (distance) P-C4' energy: -79.540 flat angles C4'-P-C4' energy: -101.387 flat angles P-C4'-P energy: -62.878 tors. eta vs tors. theta energy: -100.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1174.756043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.756043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.756043 (E_RNA) where: Base-Base interactions energy: -756.670 where: short stacking energy: -320.725 Base-Backbone interact. energy: -0.727 local terms energy: -417.358305 where: bonds (distance) C4'-P energy: -92.817 bonds (distance) P-C4' energy: -87.525 flat angles C4'-P-C4' energy: -90.364 flat angles P-C4'-P energy: -56.425 tors. eta vs tors. theta energy: -90.227 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: 8, replica: 2 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1072.256303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.256303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.256303 (E_RNA) where: Base-Base interactions energy: -698.107 where: short stacking energy: -305.112 Base-Backbone interact. energy: -2.369 local terms energy: -371.780171 where: bonds (distance) C4'-P energy: -75.183 bonds (distance) P-C4' energy: -81.536 flat angles C4'-P-C4' energy: -85.654 flat angles P-C4'-P energy: -47.673 tors. eta vs tors. theta energy: -81.735 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: 9, replica: 8 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -939.446989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.446989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.446989 (E_RNA) where: Base-Base interactions energy: -607.113 where: short stacking energy: -251.791 Base-Backbone interact. energy: -1.702 local terms energy: -330.632446 where: bonds (distance) C4'-P energy: -72.121 bonds (distance) P-C4' energy: -85.149 flat angles C4'-P-C4' energy: -83.530 flat angles P-C4'-P energy: -34.041 tors. eta vs tors. theta energy: -55.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -818.296358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.296358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.296358 (E_RNA) where: Base-Base interactions energy: -518.125 where: short stacking energy: -232.654 Base-Backbone interact. energy: 2.603 local terms energy: -302.774468 where: bonds (distance) C4'-P energy: -74.896 bonds (distance) P-C4' energy: -70.668 flat angles C4'-P-C4' energy: -78.899 flat angles P-C4'-P energy: -28.548 tors. eta vs tors. theta energy: -49.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1851.521506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.521506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.521506 (E_RNA) where: Base-Base interactions energy: -1300.470 where: short stacking energy: -521.489 Base-Backbone interact. energy: 0.023 local terms energy: -551.074809 where: bonds (distance) C4'-P energy: -108.552 bonds (distance) P-C4' energy: -95.450 flat angles C4'-P-C4' energy: -107.378 flat angles P-C4'-P energy: -80.348 tors. eta vs tors. theta energy: -159.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1754.836270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.836270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.836270 (E_RNA) where: Base-Base interactions energy: -1238.619 where: short stacking energy: -508.653 Base-Backbone interact. energy: 2.685 local terms energy: -518.902341 where: bonds (distance) C4'-P energy: -94.311 bonds (distance) P-C4' energy: -82.673 flat angles C4'-P-C4' energy: -109.345 flat angles P-C4'-P energy: -75.790 tors. eta vs tors. theta energy: -156.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1661.307021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.307021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.307021 (E_RNA) where: Base-Base interactions energy: -1187.603 where: short stacking energy: -499.551 Base-Backbone interact. energy: -1.453 local terms energy: -472.250954 where: bonds (distance) C4'-P energy: -77.195 bonds (distance) P-C4' energy: -88.962 flat angles C4'-P-C4' energy: -99.506 flat angles P-C4'-P energy: -64.125 tors. eta vs tors. theta energy: -142.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1607.208720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.208720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.208720 (E_RNA) where: Base-Base interactions energy: -1136.303 where: short stacking energy: -433.836 Base-Backbone interact. energy: -1.476 local terms energy: -469.429628 where: bonds (distance) C4'-P energy: -91.861 bonds (distance) P-C4' energy: -70.767 flat angles C4'-P-C4' energy: -102.106 flat angles P-C4'-P energy: -69.637 tors. eta vs tors. theta energy: -135.058 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: 4 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -1537.666897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.666897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.666897 (E_RNA) where: Base-Base interactions energy: -1078.206 where: short stacking energy: -411.738 Base-Backbone interact. energy: -2.027 local terms energy: -457.434602 where: bonds (distance) C4'-P energy: -90.076 bonds (distance) P-C4' energy: -79.513 flat angles C4'-P-C4' energy: -98.278 flat angles P-C4'-P energy: -71.658 tors. eta vs tors. theta energy: -117.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -1401.212971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.212971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.212971 (E_RNA) where: Base-Base interactions energy: -951.421 where: short stacking energy: -374.400 Base-Backbone interact. energy: -1.716 local terms energy: -448.076223 where: bonds (distance) C4'-P energy: -80.941 bonds (distance) P-C4' energy: -81.977 flat angles C4'-P-C4' energy: -97.736 flat angles P-C4'-P energy: -72.536 tors. eta vs tors. theta energy: -114.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1149.138913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.138913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.138913 (E_RNA) where: Base-Base interactions energy: -760.162 where: short stacking energy: -339.687 Base-Backbone interact. energy: -1.088 local terms energy: -387.888632 where: bonds (distance) C4'-P energy: -81.720 bonds (distance) P-C4' energy: -72.551 flat angles C4'-P-C4' energy: -92.769 flat angles P-C4'-P energy: -55.105 tors. eta vs tors. theta energy: -85.745 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: 2 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1082.534887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.534887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.534887 (E_RNA) where: Base-Base interactions energy: -707.549 where: short stacking energy: -298.888 Base-Backbone interact. energy: -0.883 local terms energy: -374.103750 where: bonds (distance) C4'-P energy: -74.558 bonds (distance) P-C4' energy: -83.198 flat angles C4'-P-C4' energy: -87.253 flat angles P-C4'-P energy: -54.126 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: 9, replica: 8 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -963.000483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.000483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.000483 (E_RNA) where: Base-Base interactions energy: -599.882 where: short stacking energy: -275.431 Base-Backbone interact. energy: -1.206 local terms energy: -361.912466 where: bonds (distance) C4'-P energy: -79.410 bonds (distance) P-C4' energy: -84.468 flat angles C4'-P-C4' energy: -82.019 flat angles P-C4'-P energy: -48.245 tors. eta vs tors. theta energy: -67.770 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: 173 Temperature: 1.350000 Total energy: -922.651917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.651917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.651917 (E_RNA) where: Base-Base interactions energy: -615.186 where: short stacking energy: -265.161 Base-Backbone interact. energy: 0.089 local terms energy: -307.554823 where: bonds (distance) C4'-P energy: -67.940 bonds (distance) P-C4' energy: -77.488 flat angles C4'-P-C4' energy: -75.021 flat angles P-C4'-P energy: -39.730 tors. eta vs tors. theta energy: -47.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1842.570930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.570930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.570930 (E_RNA) where: Base-Base interactions energy: -1304.823 where: short stacking energy: -524.559 Base-Backbone interact. energy: -0.866 local terms energy: -536.882638 where: bonds (distance) C4'-P energy: -95.270 bonds (distance) P-C4' energy: -90.389 flat angles C4'-P-C4' energy: -110.647 flat angles P-C4'-P energy: -82.711 tors. eta vs tors. theta energy: -157.867 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: 3 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1762.536215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.536215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.536215 (E_RNA) where: Base-Base interactions energy: -1216.402 where: short stacking energy: -511.098 Base-Backbone interact. energy: -1.815 local terms energy: -544.319175 where: bonds (distance) C4'-P energy: -87.404 bonds (distance) P-C4' energy: -102.612 flat angles C4'-P-C4' energy: -114.886 flat angles P-C4'-P energy: -81.215 tors. eta vs tors. theta energy: -158.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1680.661421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.661421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.661421 (E_RNA) where: Base-Base interactions energy: -1186.224 where: short stacking energy: -473.668 Base-Backbone interact. energy: -1.580 local terms energy: -492.856857 where: bonds (distance) C4'-P energy: -88.693 bonds (distance) P-C4' energy: -87.609 flat angles C4'-P-C4' energy: -105.151 flat angles P-C4'-P energy: -62.959 tors. eta vs tors. theta energy: -148.445 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: 4, replica: 6 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1625.320558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.320558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.320558 (E_RNA) where: Base-Base interactions energy: -1140.837 where: short stacking energy: -465.010 Base-Backbone interact. energy: -1.586 local terms energy: -482.898029 where: bonds (distance) C4'-P energy: -84.568 bonds (distance) P-C4' energy: -90.732 flat angles C4'-P-C4' energy: -109.195 flat angles P-C4'-P energy: -64.059 tors. eta vs tors. theta energy: -134.345 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: 4 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1529.506356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.506356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.506356 (E_RNA) where: Base-Base interactions energy: -1073.719 where: short stacking energy: -407.972 Base-Backbone interact. energy: -1.712 local terms energy: -454.075365 where: bonds (distance) C4'-P energy: -87.055 bonds (distance) P-C4' energy: -91.978 flat angles C4'-P-C4' energy: -102.110 flat angles P-C4'-P energy: -56.857 tors. eta vs tors. theta energy: -116.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1402.406423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.406423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.406423 (E_RNA) where: Base-Base interactions energy: -956.190 where: short stacking energy: -390.836 Base-Backbone interact. energy: -2.613 local terms energy: -443.603985 where: bonds (distance) C4'-P energy: -92.007 bonds (distance) P-C4' energy: -101.461 flat angles C4'-P-C4' energy: -95.965 flat angles P-C4'-P energy: -52.612 tors. eta vs tors. theta energy: -101.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1155.652130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.652130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.652130 (E_RNA) where: Base-Base interactions energy: -735.367 where: short stacking energy: -321.254 Base-Backbone interact. energy: -2.225 local terms energy: -418.059924 where: bonds (distance) C4'-P energy: -83.329 bonds (distance) P-C4' energy: -93.725 flat angles C4'-P-C4' energy: -95.349 flat angles P-C4'-P energy: -56.460 tors. eta vs tors. theta energy: -89.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1113.599387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.599387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.599387 (E_RNA) where: Base-Base interactions energy: -720.146 where: short stacking energy: -317.308 Base-Backbone interact. energy: 2.118 local terms energy: -395.570904 where: bonds (distance) C4'-P energy: -77.988 bonds (distance) P-C4' energy: -85.813 flat angles C4'-P-C4' energy: -94.104 flat angles P-C4'-P energy: -52.636 tors. eta vs tors. theta energy: -85.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -943.189729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.189729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.189729 (E_RNA) where: Base-Base interactions energy: -607.806 where: short stacking energy: -257.649 Base-Backbone interact. energy: -1.972 local terms energy: -333.411044 where: bonds (distance) C4'-P energy: -82.197 bonds (distance) P-C4' energy: -73.904 flat angles C4'-P-C4' energy: -75.342 flat angles P-C4'-P energy: -51.961 tors. eta vs tors. theta energy: -50.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -894.083382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.083382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.083382 (E_RNA) where: Base-Base interactions energy: -580.820 where: short stacking energy: -242.729 Base-Backbone interact. energy: -2.369 local terms energy: -310.894539 where: bonds (distance) C4'-P energy: -78.045 bonds (distance) P-C4' energy: -66.828 flat angles C4'-P-C4' energy: -79.890 flat angles P-C4'-P energy: -58.530 tors. eta vs tors. theta energy: -27.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1844.597196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.597196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.597196 (E_RNA) where: Base-Base interactions energy: -1286.759 where: short stacking energy: -512.805 Base-Backbone interact. energy: -0.822 local terms energy: -557.016558 where: bonds (distance) C4'-P energy: -101.963 bonds (distance) P-C4' energy: -96.750 flat angles C4'-P-C4' energy: -115.299 flat angles P-C4'-P energy: -82.336 tors. eta vs tors. theta energy: -160.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1777.357829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.357829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.357829 (E_RNA) where: Base-Base interactions energy: -1241.115 where: short stacking energy: -503.074 Base-Backbone interact. energy: -3.746 local terms energy: -532.496489 where: bonds (distance) C4'-P energy: -103.522 bonds (distance) P-C4' energy: -93.961 flat angles C4'-P-C4' energy: -109.455 flat angles P-C4'-P energy: -69.124 tors. eta vs tors. theta energy: -156.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1683.442161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.442161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.442161 (E_RNA) where: Base-Base interactions energy: -1200.388 where: short stacking energy: -484.314 Base-Backbone interact. energy: -0.620 local terms energy: -482.434723 where: bonds (distance) C4'-P energy: -74.886 bonds (distance) P-C4' energy: -83.470 flat angles C4'-P-C4' energy: -117.303 flat angles P-C4'-P energy: -61.643 tors. eta vs tors. theta energy: -145.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1616.107688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.107688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.107688 (E_RNA) where: Base-Base interactions energy: -1138.339 where: short stacking energy: -454.334 Base-Backbone interact. energy: -2.182 local terms energy: -475.586380 where: bonds (distance) C4'-P energy: -73.100 bonds (distance) P-C4' energy: -83.555 flat angles C4'-P-C4' energy: -96.865 flat angles P-C4'-P energy: -78.731 tors. eta vs tors. theta energy: -143.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -1558.208991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.208991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.208991 (E_RNA) where: Base-Base interactions energy: -1136.585 where: short stacking energy: -431.776 Base-Backbone interact. energy: -1.516 local terms energy: -420.107420 where: bonds (distance) C4'-P energy: -76.770 bonds (distance) P-C4' energy: -72.775 flat angles C4'-P-C4' energy: -93.037 flat angles P-C4'-P energy: -59.229 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: 6, replica: 9 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1405.070565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.070565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.070565 (E_RNA) where: Base-Base interactions energy: -942.532 where: short stacking energy: -386.022 Base-Backbone interact. energy: -1.263 local terms energy: -461.276226 where: bonds (distance) C4'-P energy: -87.852 bonds (distance) P-C4' energy: -99.303 flat angles C4'-P-C4' energy: -96.000 flat angles P-C4'-P energy: -72.378 tors. eta vs tors. theta energy: -105.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1170.762267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.762267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.762267 (E_RNA) where: Base-Base interactions energy: -780.975 where: short stacking energy: -340.794 Base-Backbone interact. energy: 0.714 local terms energy: -390.501252 where: bonds (distance) C4'-P energy: -94.535 bonds (distance) P-C4' energy: -88.198 flat angles C4'-P-C4' energy: -82.309 flat angles P-C4'-P energy: -60.042 tors. eta vs tors. theta energy: -65.418 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: 2 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1103.370968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.370968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.370968 (E_RNA) where: Base-Base interactions energy: -755.900 where: short stacking energy: -330.404 Base-Backbone interact. energy: -1.489 local terms energy: -345.981455 where: bonds (distance) C4'-P energy: -69.133 bonds (distance) P-C4' energy: -48.753 flat angles C4'-P-C4' energy: -99.347 flat angles P-C4'-P energy: -54.915 tors. eta vs tors. theta energy: -73.834 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: 9, replica: 7 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -977.765044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.765044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.765044 (E_RNA) where: Base-Base interactions energy: -639.481 where: short stacking energy: -269.815 Base-Backbone interact. energy: 0.225 local terms energy: -338.509743 where: bonds (distance) C4'-P energy: -80.869 bonds (distance) P-C4' energy: -78.861 flat angles C4'-P-C4' energy: -85.673 flat angles P-C4'-P energy: -24.948 tors. eta vs tors. theta energy: -68.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -892.921467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.921467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.921467 (E_RNA) where: Base-Base interactions energy: -570.007 where: short stacking energy: -252.412 Base-Backbone interact. energy: -0.778 local terms energy: -322.136688 where: bonds (distance) C4'-P energy: -85.628 bonds (distance) P-C4' energy: -80.751 flat angles C4'-P-C4' energy: -68.028 flat angles P-C4'-P energy: -30.763 tors. eta vs tors. theta energy: -56.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1836.464981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.464981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.464981 (E_RNA) where: Base-Base interactions energy: -1286.768 where: short stacking energy: -506.487 Base-Backbone interact. energy: 1.120 local terms energy: -550.817156 where: bonds (distance) C4'-P energy: -97.870 bonds (distance) P-C4' energy: -102.585 flat angles C4'-P-C4' energy: -117.343 flat angles P-C4'-P energy: -73.841 tors. eta vs tors. theta energy: -159.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1755.019811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.019811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.019811 (E_RNA) where: Base-Base interactions energy: -1225.903 where: short stacking energy: -497.675 Base-Backbone interact. energy: -0.453 local terms energy: -528.664304 where: bonds (distance) C4'-P energy: -93.560 bonds (distance) P-C4' energy: -91.937 flat angles C4'-P-C4' energy: -100.751 flat angles P-C4'-P energy: -82.652 tors. eta vs tors. theta energy: -159.764 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: 176 Temperature: 1.000000 Total energy: -1723.057942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.057942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.057942 (E_RNA) where: Base-Base interactions energy: -1208.108 where: short stacking energy: -488.648 Base-Backbone interact. energy: 0.315 local terms energy: -515.265198 where: bonds (distance) C4'-P energy: -99.443 bonds (distance) P-C4' energy: -90.308 flat angles C4'-P-C4' energy: -100.347 flat angles P-C4'-P energy: -73.601 tors. eta vs tors. theta energy: -151.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -1603.738763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.738763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.738763 (E_RNA) where: Base-Base interactions energy: -1120.336 where: short stacking energy: -456.174 Base-Backbone interact. energy: 1.751 local terms energy: -485.153302 where: bonds (distance) C4'-P energy: -75.629 bonds (distance) P-C4' energy: -102.868 flat angles C4'-P-C4' energy: -103.308 flat angles P-C4'-P energy: -58.749 tors. eta vs tors. theta energy: -144.599 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: 4 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -1541.557444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.557444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.557444 (E_RNA) where: Base-Base interactions energy: -1077.595 where: short stacking energy: -417.941 Base-Backbone interact. energy: -1.255 local terms energy: -462.707521 where: bonds (distance) C4'-P energy: -83.174 bonds (distance) P-C4' energy: -89.133 flat angles C4'-P-C4' energy: -96.343 flat angles P-C4'-P energy: -69.474 tors. eta vs tors. theta energy: -124.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1367.267568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.267568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.267568 (E_RNA) where: Base-Base interactions energy: -952.317 where: short stacking energy: -379.232 Base-Backbone interact. energy: -0.388 local terms energy: -414.562363 where: bonds (distance) C4'-P energy: -80.598 bonds (distance) P-C4' energy: -72.660 flat angles C4'-P-C4' energy: -100.685 flat angles P-C4'-P energy: -64.945 tors. eta vs tors. theta energy: -95.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1198.507474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.507474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.507474 (E_RNA) where: Base-Base interactions energy: -812.868 where: short stacking energy: -338.692 Base-Backbone interact. energy: -1.319 local terms energy: -384.320642 where: bonds (distance) C4'-P energy: -72.916 bonds (distance) P-C4' energy: -77.242 flat angles C4'-P-C4' energy: -85.674 flat angles P-C4'-P energy: -64.672 tors. eta vs tors. theta energy: -83.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1123.131731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.131731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.131731 (E_RNA) where: Base-Base interactions energy: -748.353 where: short stacking energy: -321.451 Base-Backbone interact. energy: 3.251 local terms energy: -378.029755 where: bonds (distance) C4'-P energy: -76.843 bonds (distance) P-C4' energy: -79.489 flat angles C4'-P-C4' energy: -90.241 flat angles P-C4'-P energy: -52.027 tors. eta vs tors. theta energy: -79.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -976.422433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.422433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.422433 (E_RNA) where: Base-Base interactions energy: -655.082 where: short stacking energy: -278.885 Base-Backbone interact. energy: -1.841 local terms energy: -319.499967 where: bonds (distance) C4'-P energy: -71.768 bonds (distance) P-C4' energy: -82.671 flat angles C4'-P-C4' energy: -87.640 flat angles P-C4'-P energy: -34.722 tors. eta vs tors. theta energy: -42.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -905.604054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.604054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.604054 (E_RNA) where: Base-Base interactions energy: -588.042 where: short stacking energy: -249.257 Base-Backbone interact. energy: 0.319 local terms energy: -317.881478 where: bonds (distance) C4'-P energy: -67.689 bonds (distance) P-C4' energy: -72.610 flat angles C4'-P-C4' energy: -88.239 flat angles P-C4'-P energy: -49.975 tors. eta vs tors. theta energy: -39.369 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: 1, replica: 1 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1827.668604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.668604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.668604 (E_RNA) where: Base-Base interactions energy: -1297.315 where: short stacking energy: -515.604 Base-Backbone interact. energy: -2.404 local terms energy: -527.949687 where: bonds (distance) C4'-P energy: -88.146 bonds (distance) P-C4' energy: -95.387 flat angles C4'-P-C4' energy: -105.268 flat angles P-C4'-P energy: -81.440 tors. eta vs tors. theta energy: -157.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1730.604790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.604790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.604790 (E_RNA) where: Base-Base interactions energy: -1201.680 where: short stacking energy: -499.862 Base-Backbone interact. energy: -2.042 local terms energy: -526.882308 where: bonds (distance) C4'-P energy: -98.775 bonds (distance) P-C4' energy: -94.624 flat angles C4'-P-C4' energy: -113.202 flat angles P-C4'-P energy: -66.548 tors. eta vs tors. theta energy: -153.733 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: 3 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1698.239814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.239814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.239814 (E_RNA) where: Base-Base interactions energy: -1204.356 where: short stacking energy: -493.465 Base-Backbone interact. energy: -0.588 local terms energy: -493.296512 where: bonds (distance) C4'-P energy: -80.405 bonds (distance) P-C4' energy: -86.691 flat angles C4'-P-C4' energy: -106.483 flat angles P-C4'-P energy: -69.877 tors. eta vs tors. theta energy: -149.840 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: 4, replica: 6 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1617.402366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.402366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.402366 (E_RNA) where: Base-Base interactions energy: -1116.968 where: short stacking energy: -440.544 Base-Backbone interact. energy: -1.307 local terms energy: -499.126984 where: bonds (distance) C4'-P energy: -93.720 bonds (distance) P-C4' energy: -93.120 flat angles C4'-P-C4' energy: -99.612 flat angles P-C4'-P energy: -72.428 tors. eta vs tors. theta energy: -140.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1527.020161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.020161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.020161 (E_RNA) where: Base-Base interactions energy: -1076.870 where: short stacking energy: -412.000 Base-Backbone interact. energy: -1.132 local terms energy: -449.017769 where: bonds (distance) C4'-P energy: -78.704 bonds (distance) P-C4' energy: -91.135 flat angles C4'-P-C4' energy: -101.451 flat angles P-C4'-P energy: -66.252 tors. eta vs tors. theta energy: -111.475 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: 9 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1387.396872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.396872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.396872 (E_RNA) where: Base-Base interactions energy: -962.071 where: short stacking energy: -385.018 Base-Backbone interact. energy: -2.130 local terms energy: -423.196090 where: bonds (distance) C4'-P energy: -77.264 bonds (distance) P-C4' energy: -81.795 flat angles C4'-P-C4' energy: -98.612 flat angles P-C4'-P energy: -60.175 tors. eta vs tors. theta energy: -105.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1241.071853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.071853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.071853 (E_RNA) where: Base-Base interactions energy: -825.903 where: short stacking energy: -365.781 Base-Backbone interact. energy: 2.275 local terms energy: -417.443174 where: bonds (distance) C4'-P energy: -82.384 bonds (distance) P-C4' energy: -83.513 flat angles C4'-P-C4' energy: -98.139 flat angles P-C4'-P energy: -51.555 tors. eta vs tors. theta energy: -101.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1119.160960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.160960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.160960 (E_RNA) where: Base-Base interactions energy: -762.763 where: short stacking energy: -330.939 Base-Backbone interact. energy: -1.264 local terms energy: -355.133479 where: bonds (distance) C4'-P energy: -79.581 bonds (distance) P-C4' energy: -72.132 flat angles C4'-P-C4' energy: -72.046 flat angles P-C4'-P energy: -50.345 tors. eta vs tors. theta energy: -81.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -966.451029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.451029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.451029 (E_RNA) where: Base-Base interactions energy: -637.168 where: short stacking energy: -260.473 Base-Backbone interact. energy: 4.809 local terms energy: -334.092024 where: bonds (distance) C4'-P energy: -68.009 bonds (distance) P-C4' energy: -87.579 flat angles C4'-P-C4' energy: -90.911 flat angles P-C4'-P energy: -41.399 tors. eta vs tors. theta energy: -46.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -857.374368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.374368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.374368 (E_RNA) where: Base-Base interactions energy: -549.530 where: short stacking energy: -236.381 Base-Backbone interact. energy: 3.084 local terms energy: -310.928291 where: bonds (distance) C4'-P energy: -75.489 bonds (distance) P-C4' energy: -72.365 flat angles C4'-P-C4' energy: -79.126 flat angles P-C4'-P energy: -43.244 tors. eta vs tors. theta energy: -40.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1864.118619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.118619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.118619 (E_RNA) where: Base-Base interactions energy: -1318.850 where: short stacking energy: -528.580 Base-Backbone interact. energy: -2.558 local terms energy: -542.710888 where: bonds (distance) C4'-P energy: -96.577 bonds (distance) P-C4' energy: -98.697 flat angles C4'-P-C4' energy: -104.912 flat angles P-C4'-P energy: -76.807 tors. eta vs tors. theta energy: -165.717 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: 5 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1763.370374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.370374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.370374 (E_RNA) where: Base-Base interactions energy: -1225.805 where: short stacking energy: -491.571 Base-Backbone interact. energy: -0.259 local terms energy: -537.306537 where: bonds (distance) C4'-P energy: -94.849 bonds (distance) P-C4' energy: -91.844 flat angles C4'-P-C4' energy: -114.810 flat angles P-C4'-P energy: -78.512 tors. eta vs tors. theta energy: -157.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1659.182067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.182067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.182067 (E_RNA) where: Base-Base interactions energy: -1147.859 where: short stacking energy: -450.672 Base-Backbone interact. energy: -2.480 local terms energy: -508.843581 where: bonds (distance) C4'-P energy: -88.683 bonds (distance) P-C4' energy: -101.377 flat angles C4'-P-C4' energy: -103.678 flat angles P-C4'-P energy: -76.352 tors. eta vs tors. theta energy: -138.754 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: 3 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1660.018949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.018949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.018949 (E_RNA) where: Base-Base interactions energy: -1157.689 where: short stacking energy: -468.682 Base-Backbone interact. energy: -1.415 local terms energy: -500.914338 where: bonds (distance) C4'-P energy: -86.182 bonds (distance) P-C4' energy: -89.317 flat angles C4'-P-C4' energy: -99.926 flat angles P-C4'-P energy: -77.122 tors. eta vs tors. theta energy: -148.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1523.067464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.067464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.067464 (E_RNA) where: Base-Base interactions energy: -1087.760 where: short stacking energy: -399.787 Base-Backbone interact. energy: 4.583 local terms energy: -439.890397 where: bonds (distance) C4'-P energy: -92.347 bonds (distance) P-C4' energy: -83.368 flat angles C4'-P-C4' energy: -89.779 flat angles P-C4'-P energy: -56.621 tors. eta vs tors. theta energy: -117.776 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: 9 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1376.793778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.793778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.793778 (E_RNA) where: Base-Base interactions energy: -969.864 where: short stacking energy: -398.896 Base-Backbone interact. energy: 0.546 local terms energy: -407.475948 where: bonds (distance) C4'-P energy: -84.451 bonds (distance) P-C4' energy: -86.749 flat angles C4'-P-C4' energy: -87.408 flat angles P-C4'-P energy: -52.187 tors. eta vs tors. theta energy: -96.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1231.618385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.618385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.618385 (E_RNA) where: Base-Base interactions energy: -828.506 where: short stacking energy: -343.871 Base-Backbone interact. energy: 0.362 local terms energy: -403.475057 where: bonds (distance) C4'-P energy: -68.932 bonds (distance) P-C4' energy: -98.445 flat angles C4'-P-C4' energy: -80.119 flat angles P-C4'-P energy: -63.759 tors. eta vs tors. theta energy: -92.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1144.550047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.550047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.550047 (E_RNA) where: Base-Base interactions energy: -779.488 where: short stacking energy: -350.070 Base-Backbone interact. energy: -0.880 local terms energy: -364.182449 where: bonds (distance) C4'-P energy: -70.190 bonds (distance) P-C4' energy: -88.125 flat angles C4'-P-C4' energy: -82.043 flat angles P-C4'-P energy: -37.328 tors. eta vs tors. theta energy: -86.496 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: 8 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -937.608858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.608858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.608858 (E_RNA) where: Base-Base interactions energy: -592.040 where: short stacking energy: -266.800 Base-Backbone interact. energy: -1.656 local terms energy: -343.912641 where: bonds (distance) C4'-P energy: -73.696 bonds (distance) P-C4' energy: -86.210 flat angles C4'-P-C4' energy: -76.157 flat angles P-C4'-P energy: -43.602 tors. eta vs tors. theta energy: -64.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -922.670167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.670167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.670167 (E_RNA) where: Base-Base interactions energy: -586.831 where: short stacking energy: -249.993 Base-Backbone interact. energy: 2.484 local terms energy: -338.322900 where: bonds (distance) C4'-P energy: -65.630 bonds (distance) P-C4' energy: -91.817 flat angles C4'-P-C4' energy: -81.101 flat angles P-C4'-P energy: -52.673 tors. eta vs tors. theta energy: -47.102 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: 1, replica: 1 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1838.621889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.621889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.621889 (E_RNA) where: Base-Base interactions energy: -1297.575 where: short stacking energy: -505.746 Base-Backbone interact. energy: -2.023 local terms energy: -539.024036 where: bonds (distance) C4'-P energy: -90.052 bonds (distance) P-C4' energy: -98.586 flat angles C4'-P-C4' energy: -111.109 flat angles P-C4'-P energy: -77.478 tors. eta vs tors. theta energy: -161.799 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: 5 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1720.777190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.777190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.777190 (E_RNA) where: Base-Base interactions energy: -1221.217 where: short stacking energy: -496.807 Base-Backbone interact. energy: -1.341 local terms energy: -498.218609 where: bonds (distance) C4'-P energy: -76.383 bonds (distance) P-C4' energy: -92.249 flat angles C4'-P-C4' energy: -109.897 flat angles P-C4'-P energy: -69.920 tors. eta vs tors. theta energy: -149.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1684.932655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.932655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.932655 (E_RNA) where: Base-Base interactions energy: -1159.028 where: short stacking energy: -452.010 Base-Backbone interact. energy: -1.332 local terms energy: -524.571940 where: bonds (distance) C4'-P energy: -94.802 bonds (distance) P-C4' energy: -103.184 flat angles C4'-P-C4' energy: -108.045 flat angles P-C4'-P energy: -80.362 tors. eta vs tors. theta energy: -138.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1682.109516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.109516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.109516 (E_RNA) where: Base-Base interactions energy: -1172.625 where: short stacking energy: -481.158 Base-Backbone interact. energy: -1.579 local terms energy: -507.905783 where: bonds (distance) C4'-P energy: -78.330 bonds (distance) P-C4' energy: -94.495 flat angles C4'-P-C4' energy: -108.305 flat angles P-C4'-P energy: -79.175 tors. eta vs tors. theta energy: -147.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1532.742020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.742020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.742020 (E_RNA) where: Base-Base interactions energy: -1078.977 where: short stacking energy: -413.332 Base-Backbone interact. energy: -3.253 local terms energy: -450.511361 where: bonds (distance) C4'-P energy: -87.881 bonds (distance) P-C4' energy: -90.888 flat angles C4'-P-C4' energy: -87.805 flat angles P-C4'-P energy: -71.890 tors. eta vs tors. theta energy: -112.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1495.674328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.674328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.674328 (E_RNA) where: Base-Base interactions energy: -1021.852 where: short stacking energy: -424.236 Base-Backbone interact. energy: 2.264 local terms energy: -476.086275 where: bonds (distance) C4'-P energy: -80.635 bonds (distance) P-C4' energy: -92.885 flat angles C4'-P-C4' energy: -106.621 flat angles P-C4'-P energy: -69.037 tors. eta vs tors. theta energy: -126.909 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: 7, replica: 2 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1189.421009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.421009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.421009 (E_RNA) where: Base-Base interactions energy: -801.167 where: short stacking energy: -344.613 Base-Backbone interact. energy: 4.490 local terms energy: -392.744721 where: bonds (distance) C4'-P energy: -88.984 bonds (distance) P-C4' energy: -84.050 flat angles C4'-P-C4' energy: -88.292 flat angles P-C4'-P energy: -43.415 tors. eta vs tors. theta energy: -88.004 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: 8, replica: 10 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1156.000462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.000462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.000462 (E_RNA) where: Base-Base interactions energy: -762.683 where: short stacking energy: -300.865 Base-Backbone interact. energy: -0.274 local terms energy: -393.042935 where: bonds (distance) C4'-P energy: -81.542 bonds (distance) P-C4' energy: -89.899 flat angles C4'-P-C4' energy: -95.178 flat angles P-C4'-P energy: -57.006 tors. eta vs tors. theta energy: -69.419 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: 179 Temperature: 1.300000 Total energy: -936.116901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.116901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.116901 (E_RNA) where: Base-Base interactions energy: -580.037 where: short stacking energy: -249.060 Base-Backbone interact. energy: -0.969 local terms energy: -355.111349 where: bonds (distance) C4'-P energy: -72.641 bonds (distance) P-C4' energy: -90.566 flat angles C4'-P-C4' energy: -80.936 flat angles P-C4'-P energy: -62.165 tors. eta vs tors. theta energy: -48.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -918.627101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.627101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.627101 (E_RNA) where: Base-Base interactions energy: -573.938 where: short stacking energy: -249.485 Base-Backbone interact. energy: 0.152 local terms energy: -344.840890 where: bonds (distance) C4'-P energy: -76.850 bonds (distance) P-C4' energy: -67.379 flat angles C4'-P-C4' energy: -85.181 flat angles P-C4'-P energy: -41.834 tors. eta vs tors. theta energy: -73.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1854.103782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.103782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.103782 (E_RNA) where: Base-Base interactions energy: -1301.502 where: short stacking energy: -522.659 Base-Backbone interact. energy: -2.711 local terms energy: -549.890628 where: bonds (distance) C4'-P energy: -95.253 bonds (distance) P-C4' energy: -101.216 flat angles C4'-P-C4' energy: -113.037 flat angles P-C4'-P energy: -78.168 tors. eta vs tors. theta energy: -162.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1734.311990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.311990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.311990 (E_RNA) where: Base-Base interactions energy: -1206.112 where: short stacking energy: -496.848 Base-Backbone interact. energy: 1.000 local terms energy: -529.199256 where: bonds (distance) C4'-P energy: -96.060 bonds (distance) P-C4' energy: -90.794 flat angles C4'-P-C4' energy: -110.987 flat angles P-C4'-P energy: -74.538 tors. eta vs tors. theta energy: -156.821 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: 3 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1712.897981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.897981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.897981 (E_RNA) where: Base-Base interactions energy: -1205.400 where: short stacking energy: -496.494 Base-Backbone interact. energy: 1.367 local terms energy: -508.864508 where: bonds (distance) C4'-P energy: -96.716 bonds (distance) P-C4' energy: -84.899 flat angles C4'-P-C4' energy: -108.387 flat angles P-C4'-P energy: -67.170 tors. eta vs tors. theta energy: -151.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1627.989215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.989215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.989215 (E_RNA) where: Base-Base interactions energy: -1145.773 where: short stacking energy: -454.037 Base-Backbone interact. energy: 1.168 local terms energy: -483.384112 where: bonds (distance) C4'-P energy: -85.961 bonds (distance) P-C4' energy: -87.091 flat angles C4'-P-C4' energy: -108.104 flat angles P-C4'-P energy: -69.621 tors. eta vs tors. theta energy: -132.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -1534.258738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.258738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.258738 (E_RNA) where: Base-Base interactions energy: -1089.251 where: short stacking energy: -425.741 Base-Backbone interact. energy: 2.056 local terms energy: -447.063465 where: bonds (distance) C4'-P energy: -81.064 bonds (distance) P-C4' energy: -84.919 flat angles C4'-P-C4' energy: -101.669 flat angles P-C4'-P energy: -54.740 tors. eta vs tors. theta energy: -124.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1472.546781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.546781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.546781 (E_RNA) where: Base-Base interactions energy: -1034.894 where: short stacking energy: -401.499 Base-Backbone interact. energy: 1.276 local terms energy: -438.929139 where: bonds (distance) C4'-P energy: -83.849 bonds (distance) P-C4' energy: -80.010 flat angles C4'-P-C4' energy: -94.190 flat angles P-C4'-P energy: -61.173 tors. eta vs tors. theta energy: -119.708 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: 2 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1265.643323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.643323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.643323 (E_RNA) where: Base-Base interactions energy: -842.089 where: short stacking energy: -367.163 Base-Backbone interact. energy: -2.762 local terms energy: -420.792075 where: bonds (distance) C4'-P energy: -80.002 bonds (distance) P-C4' energy: -99.435 flat angles C4'-P-C4' energy: -74.012 flat angles P-C4'-P energy: -64.866 tors. eta vs tors. theta energy: -102.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1131.632913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.632913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.632913 (E_RNA) where: Base-Base interactions energy: -741.053 where: short stacking energy: -322.687 Base-Backbone interact. energy: -1.500 local terms energy: -389.080277 where: bonds (distance) C4'-P energy: -80.465 bonds (distance) P-C4' energy: -86.743 flat angles C4'-P-C4' energy: -92.100 flat angles P-C4'-P energy: -55.014 tors. eta vs tors. theta energy: -74.759 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: 9, replica: 8 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -1006.619985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.619985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.619985 (E_RNA) where: Base-Base interactions energy: -659.614 where: short stacking energy: -301.379 Base-Backbone interact. energy: 1.142 local terms energy: -348.148599 where: bonds (distance) C4'-P energy: -77.456 bonds (distance) P-C4' energy: -75.446 flat angles C4'-P-C4' energy: -86.090 flat angles P-C4'-P energy: -48.416 tors. eta vs tors. theta energy: -60.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -891.107260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.107260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.107260 (E_RNA) where: Base-Base interactions energy: -578.472 where: short stacking energy: -262.701 Base-Backbone interact. energy: 0.276 local terms energy: -312.910703 where: bonds (distance) C4'-P energy: -65.582 bonds (distance) P-C4' energy: -71.337 flat angles C4'-P-C4' energy: -74.144 flat angles P-C4'-P energy: -46.802 tors. eta vs tors. theta energy: -55.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1863.046021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.046021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.046021 (E_RNA) where: Base-Base interactions energy: -1312.972 where: short stacking energy: -509.417 Base-Backbone interact. energy: -3.291 local terms energy: -546.783378 where: bonds (distance) C4'-P energy: -90.733 bonds (distance) P-C4' energy: -101.016 flat angles C4'-P-C4' energy: -114.796 flat angles P-C4'-P energy: -79.920 tors. eta vs tors. theta energy: -160.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1750.932192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.932192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.932192 (E_RNA) where: Base-Base interactions energy: -1227.357 where: short stacking energy: -487.650 Base-Backbone interact. energy: 0.257 local terms energy: -523.832125 where: bonds (distance) C4'-P energy: -91.231 bonds (distance) P-C4' energy: -90.905 flat angles C4'-P-C4' energy: -110.153 flat angles P-C4'-P energy: -78.782 tors. eta vs tors. theta energy: -152.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1711.924989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.924989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.924989 (E_RNA) where: Base-Base interactions energy: -1195.934 where: short stacking energy: -489.454 Base-Backbone interact. energy: 1.990 local terms energy: -517.981070 where: bonds (distance) C4'-P energy: -95.862 bonds (distance) P-C4' energy: -86.543 flat angles C4'-P-C4' energy: -108.744 flat angles P-C4'-P energy: -76.066 tors. eta vs tors. theta energy: -150.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1635.926486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.926486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.926486 (E_RNA) where: Base-Base interactions energy: -1141.522 where: short stacking energy: -467.073 Base-Backbone interact. energy: 0.404 local terms energy: -494.808198 where: bonds (distance) C4'-P energy: -77.683 bonds (distance) P-C4' energy: -91.381 flat angles C4'-P-C4' energy: -112.846 flat angles P-C4'-P energy: -69.180 tors. eta vs tors. theta energy: -143.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -1522.676363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.676363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.676363 (E_RNA) where: Base-Base interactions energy: -1101.319 where: short stacking energy: -435.037 Base-Backbone interact. energy: 3.692 local terms energy: -425.048985 where: bonds (distance) C4'-P energy: -70.431 bonds (distance) P-C4' energy: -79.115 flat angles C4'-P-C4' energy: -96.087 flat angles P-C4'-P energy: -59.172 tors. eta vs tors. theta energy: -120.244 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: 9 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1529.103233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.103233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.103233 (E_RNA) where: Base-Base interactions energy: -1063.880 where: short stacking energy: -445.305 Base-Backbone interact. energy: -0.604 local terms energy: -464.619755 where: bonds (distance) C4'-P energy: -86.184 bonds (distance) P-C4' energy: -89.301 flat angles C4'-P-C4' energy: -92.402 flat angles P-C4'-P energy: -66.847 tors. eta vs tors. theta energy: -129.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1262.534889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.534889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.534889 (E_RNA) where: Base-Base interactions energy: -817.187 where: short stacking energy: -340.839 Base-Backbone interact. energy: -0.260 local terms energy: -445.087707 where: bonds (distance) C4'-P energy: -85.591 bonds (distance) P-C4' energy: -84.449 flat angles C4'-P-C4' energy: -100.035 flat angles P-C4'-P energy: -62.390 tors. eta vs tors. theta energy: -112.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1148.821063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.821063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.821063 (E_RNA) where: Base-Base interactions energy: -784.421 where: short stacking energy: -341.721 Base-Backbone interact. energy: -0.334 local terms energy: -364.066340 where: bonds (distance) C4'-P energy: -76.675 bonds (distance) P-C4' energy: -76.445 flat angles C4'-P-C4' energy: -87.154 flat angles P-C4'-P energy: -47.454 tors. eta vs tors. theta energy: -76.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -1053.368228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.368228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.368228 (E_RNA) where: Base-Base interactions energy: -644.706 where: short stacking energy: -290.905 Base-Backbone interact. energy: -0.822 local terms energy: -407.839785 where: bonds (distance) C4'-P energy: -91.759 bonds (distance) P-C4' energy: -84.029 flat angles C4'-P-C4' energy: -98.367 flat angles P-C4'-P energy: -63.222 tors. eta vs tors. theta energy: -70.462 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: 10, replica: 7 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -849.291628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.291628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.291628 (E_RNA) where: Base-Base interactions energy: -538.326 where: short stacking energy: -219.098 Base-Backbone interact. energy: 1.893 local terms energy: -312.858784 where: bonds (distance) C4'-P energy: -74.874 bonds (distance) P-C4' energy: -67.587 flat angles C4'-P-C4' energy: -83.275 flat angles P-C4'-P energy: -49.142 tors. eta vs tors. theta energy: -37.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1849.657401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.657401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.657401 (E_RNA) where: Base-Base interactions energy: -1301.211 where: short stacking energy: -517.814 Base-Backbone interact. energy: 1.241 local terms energy: -549.687195 where: bonds (distance) C4'-P energy: -93.288 bonds (distance) P-C4' energy: -103.030 flat angles C4'-P-C4' energy: -108.332 flat angles P-C4'-P energy: -84.875 tors. eta vs tors. theta energy: -160.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1732.864939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.864939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.864939 (E_RNA) where: Base-Base interactions energy: -1205.992 where: short stacking energy: -501.009 Base-Backbone interact. energy: -0.667 local terms energy: -526.205306 where: bonds (distance) C4'-P energy: -91.229 bonds (distance) P-C4' energy: -88.700 flat angles C4'-P-C4' energy: -110.962 flat angles P-C4'-P energy: -82.712 tors. eta vs tors. theta energy: -152.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1710.357462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.357462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.357462 (E_RNA) where: Base-Base interactions energy: -1193.362 where: short stacking energy: -477.247 Base-Backbone interact. energy: -0.901 local terms energy: -516.094392 where: bonds (distance) C4'-P energy: -97.675 bonds (distance) P-C4' energy: -98.210 flat angles C4'-P-C4' energy: -107.937 flat angles P-C4'-P energy: -62.427 tors. eta vs tors. theta energy: -149.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1637.234435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.234435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.234435 (E_RNA) where: Base-Base interactions energy: -1145.381 where: short stacking energy: -452.399 Base-Backbone interact. energy: -1.206 local terms energy: -490.647657 where: bonds (distance) C4'-P energy: -79.052 bonds (distance) P-C4' energy: -88.721 flat angles C4'-P-C4' energy: -115.237 flat angles P-C4'-P energy: -64.739 tors. eta vs tors. theta energy: -142.899 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: 5, replica: 9 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -1520.950745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.950745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.950745 (E_RNA) where: Base-Base interactions energy: -1044.581 where: short stacking energy: -445.306 Base-Backbone interact. energy: -1.096 local terms energy: -475.273351 where: bonds (distance) C4'-P energy: -85.448 bonds (distance) P-C4' energy: -92.098 flat angles C4'-P-C4' energy: -107.583 flat angles P-C4'-P energy: -55.036 tors. eta vs tors. theta energy: -135.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1486.342872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.342872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.342872 (E_RNA) where: Base-Base interactions energy: -1061.371 where: short stacking energy: -412.502 Base-Backbone interact. energy: 0.037 local terms energy: -425.008484 where: bonds (distance) C4'-P energy: -77.302 bonds (distance) P-C4' energy: -84.810 flat angles C4'-P-C4' energy: -98.404 flat angles P-C4'-P energy: -51.639 tors. eta vs tors. theta energy: -112.854 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: 2 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1252.552745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.552745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.552745 (E_RNA) where: Base-Base interactions energy: -840.308 where: short stacking energy: -347.094 Base-Backbone interact. energy: -1.895 local terms energy: -410.349543 where: bonds (distance) C4'-P energy: -74.061 bonds (distance) P-C4' energy: -78.245 flat angles C4'-P-C4' energy: -92.840 flat angles P-C4'-P energy: -66.520 tors. eta vs tors. theta energy: -98.683 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: 10 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1106.933956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.933956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.933956 (E_RNA) where: Base-Base interactions energy: -747.835 where: short stacking energy: -311.422 Base-Backbone interact. energy: -0.841 local terms energy: -358.257550 where: bonds (distance) C4'-P energy: -81.733 bonds (distance) P-C4' energy: -79.989 flat angles C4'-P-C4' energy: -77.889 flat angles P-C4'-P energy: -52.407 tors. eta vs tors. theta energy: -66.239 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: 8 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -1043.780929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.780929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.780929 (E_RNA) where: Base-Base interactions energy: -679.795 where: short stacking energy: -274.859 Base-Backbone interact. energy: -3.039 local terms energy: -360.946708 where: bonds (distance) C4'-P energy: -79.415 bonds (distance) P-C4' energy: -89.308 flat angles C4'-P-C4' energy: -82.174 flat angles P-C4'-P energy: -55.223 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: 10, replica: 7 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -807.812124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.812124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.812124 (E_RNA) where: Base-Base interactions energy: -482.700 where: short stacking energy: -217.794 Base-Backbone interact. energy: 0.500 local terms energy: -325.611768 where: bonds (distance) C4'-P energy: -75.348 bonds (distance) P-C4' energy: -81.411 flat angles C4'-P-C4' energy: -90.401 flat angles P-C4'-P energy: -46.583 tors. eta vs tors. theta energy: -31.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1840.649499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.649499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.649499 (E_RNA) where: Base-Base interactions energy: -1301.698 where: short stacking energy: -519.142 Base-Backbone interact. energy: -1.332 local terms energy: -537.618972 where: bonds (distance) C4'-P energy: -85.270 bonds (distance) P-C4' energy: -96.228 flat angles C4'-P-C4' energy: -112.817 flat angles P-C4'-P energy: -85.476 tors. eta vs tors. theta energy: -157.828 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: 2, replica: 5 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1724.884576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.884576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.884576 (E_RNA) where: Base-Base interactions energy: -1191.728 where: short stacking energy: -487.599 Base-Backbone interact. energy: -1.489 local terms energy: -531.667807 where: bonds (distance) C4'-P energy: -97.767 bonds (distance) P-C4' energy: -96.244 flat angles C4'-P-C4' energy: -109.819 flat angles P-C4'-P energy: -76.295 tors. eta vs tors. theta energy: -151.543 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: 3 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1757.672116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.672116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.672116 (E_RNA) where: Base-Base interactions energy: -1244.504 where: short stacking energy: -521.520 Base-Backbone interact. energy: 0.473 local terms energy: -513.640957 where: bonds (distance) C4'-P energy: -85.670 bonds (distance) P-C4' energy: -81.713 flat angles C4'-P-C4' energy: -113.619 flat angles P-C4'-P energy: -75.511 tors. eta vs tors. theta energy: -157.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1615.618090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.618090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.618090 (E_RNA) where: Base-Base interactions energy: -1160.484 where: short stacking energy: -456.037 Base-Backbone interact. energy: 0.712 local terms energy: -455.845937 where: bonds (distance) C4'-P energy: -72.646 bonds (distance) P-C4' energy: -78.814 flat angles C4'-P-C4' energy: -109.059 flat angles P-C4'-P energy: -65.648 tors. eta vs tors. theta energy: -129.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -1531.748404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.748404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.748404 (E_RNA) where: Base-Base interactions energy: -1068.902 where: short stacking energy: -442.414 Base-Backbone interact. energy: -0.855 local terms energy: -461.991899 where: bonds (distance) C4'-P energy: -82.650 bonds (distance) P-C4' energy: -78.706 flat angles C4'-P-C4' energy: -111.403 flat angles P-C4'-P energy: -62.682 tors. eta vs tors. theta energy: -126.551 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: 4 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1484.082567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.082567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.082567 (E_RNA) where: Base-Base interactions energy: -1049.487 where: short stacking energy: -417.090 Base-Backbone interact. energy: -1.385 local terms energy: -433.211039 where: bonds (distance) C4'-P energy: -86.298 bonds (distance) P-C4' energy: -83.130 flat angles C4'-P-C4' energy: -95.501 flat angles P-C4'-P energy: -54.416 tors. eta vs tors. theta energy: -113.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1246.648687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.648687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.648687 (E_RNA) where: Base-Base interactions energy: -836.935 where: short stacking energy: -357.563 Base-Backbone interact. energy: 0.106 local terms energy: -409.819511 where: bonds (distance) C4'-P energy: -68.760 bonds (distance) P-C4' energy: -79.729 flat angles C4'-P-C4' energy: -91.961 flat angles P-C4'-P energy: -55.129 tors. eta vs tors. theta energy: -114.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1098.595784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.595784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.595784 (E_RNA) where: Base-Base interactions energy: -741.150 where: short stacking energy: -316.995 Base-Backbone interact. energy: -2.800 local terms energy: -354.646071 where: bonds (distance) C4'-P energy: -71.379 bonds (distance) P-C4' energy: -64.138 flat angles C4'-P-C4' energy: -83.580 flat angles P-C4'-P energy: -60.711 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: 9, replica: 8 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -1016.674195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.674195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.674195 (E_RNA) where: Base-Base interactions energy: -669.111 where: short stacking energy: -298.401 Base-Backbone interact. energy: 0.479 local terms energy: -348.041899 where: bonds (distance) C4'-P energy: -80.541 bonds (distance) P-C4' energy: -72.338 flat angles C4'-P-C4' energy: -84.498 flat angles P-C4'-P energy: -48.816 tors. eta vs tors. theta energy: -61.850 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: 183 Temperature: 1.350000 Total energy: -785.477906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.477906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.477906 (E_RNA) where: Base-Base interactions energy: -467.894 where: short stacking energy: -204.931 Base-Backbone interact. energy: -0.684 local terms energy: -316.899651 where: bonds (distance) C4'-P energy: -84.141 bonds (distance) P-C4' energy: -85.467 flat angles C4'-P-C4' energy: -62.064 flat angles P-C4'-P energy: -45.492 tors. eta vs tors. theta energy: -39.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1847.077165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.077165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.077165 (E_RNA) where: Base-Base interactions energy: -1300.065 where: short stacking energy: -518.856 Base-Backbone interact. energy: -3.009 local terms energy: -544.003058 where: bonds (distance) C4'-P energy: -85.836 bonds (distance) P-C4' energy: -108.852 flat angles C4'-P-C4' energy: -107.291 flat angles P-C4'-P energy: -81.331 tors. eta vs tors. theta energy: -160.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1738.059635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.059635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.059635 (E_RNA) where: Base-Base interactions energy: -1211.420 where: short stacking energy: -498.757 Base-Backbone interact. energy: -0.985 local terms energy: -525.654169 where: bonds (distance) C4'-P energy: -92.192 bonds (distance) P-C4' energy: -98.526 flat angles C4'-P-C4' energy: -109.009 flat angles P-C4'-P energy: -72.764 tors. eta vs tors. theta energy: -153.163 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: 3 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1756.240383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.240383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.240383 (E_RNA) where: Base-Base interactions energy: -1221.804 where: short stacking energy: -504.861 Base-Backbone interact. energy: -1.830 local terms energy: -532.606698 where: bonds (distance) C4'-P energy: -95.282 bonds (distance) P-C4' energy: -92.846 flat angles C4'-P-C4' energy: -98.729 flat angles P-C4'-P energy: -79.512 tors. eta vs tors. theta energy: -166.237 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: 6 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1613.800432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.800432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.800432 (E_RNA) where: Base-Base interactions energy: -1153.935 where: short stacking energy: -463.171 Base-Backbone interact. energy: 1.483 local terms energy: -461.348839 where: bonds (distance) C4'-P energy: -68.367 bonds (distance) P-C4' energy: -90.366 flat angles C4'-P-C4' energy: -100.897 flat angles P-C4'-P energy: -64.275 tors. eta vs tors. theta energy: -137.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -1520.084254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.084254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.084254 (E_RNA) where: Base-Base interactions energy: -1087.125 where: short stacking energy: -432.184 Base-Backbone interact. energy: 0.874 local terms energy: -433.833508 where: bonds (distance) C4'-P energy: -79.070 bonds (distance) P-C4' energy: -80.249 flat angles C4'-P-C4' energy: -91.512 flat angles P-C4'-P energy: -64.771 tors. eta vs tors. theta energy: -118.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1489.234941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.234941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.234941 (E_RNA) where: Base-Base interactions energy: -1014.682 where: short stacking energy: -419.942 Base-Backbone interact. energy: -1.045 local terms energy: -473.507278 where: bonds (distance) C4'-P energy: -79.794 bonds (distance) P-C4' energy: -89.570 flat angles C4'-P-C4' energy: -106.799 flat angles P-C4'-P energy: -64.357 tors. eta vs tors. theta energy: -132.987 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: 7, replica: 2 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1291.554688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.554688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.554688 (E_RNA) where: Base-Base interactions energy: -859.469 where: short stacking energy: -361.425 Base-Backbone interact. energy: -0.221 local terms energy: -431.864326 where: bonds (distance) C4'-P energy: -75.797 bonds (distance) P-C4' energy: -84.241 flat angles C4'-P-C4' energy: -98.861 flat angles P-C4'-P energy: -59.599 tors. eta vs tors. theta energy: -113.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1120.384767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.384767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.384767 (E_RNA) where: Base-Base interactions energy: -738.474 where: short stacking energy: -329.360 Base-Backbone interact. energy: 0.389 local terms energy: -382.299968 where: bonds (distance) C4'-P energy: -70.489 bonds (distance) P-C4' energy: -86.189 flat angles C4'-P-C4' energy: -83.750 flat angles P-C4'-P energy: -62.528 tors. eta vs tors. theta energy: -79.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -1036.543296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.543296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.543296 (E_RNA) where: Base-Base interactions energy: -683.480 where: short stacking energy: -287.083 Base-Backbone interact. energy: -0.484 local terms energy: -352.579133 where: bonds (distance) C4'-P energy: -77.631 bonds (distance) P-C4' energy: -82.206 flat angles C4'-P-C4' energy: -90.464 flat angles P-C4'-P energy: -38.842 tors. eta vs tors. theta energy: -63.436 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: 7 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -833.693120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.693120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.693120 (E_RNA) where: Base-Base interactions energy: -532.789 where: short stacking energy: -240.209 Base-Backbone interact. energy: -4.130 local terms energy: -296.774256 where: bonds (distance) C4'-P energy: -54.690 bonds (distance) P-C4' energy: -90.614 flat angles C4'-P-C4' energy: -66.352 flat angles P-C4'-P energy: -46.261 tors. eta vs tors. theta energy: -38.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1848.696894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.696894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.696894 (E_RNA) where: Base-Base interactions energy: -1291.081 where: short stacking energy: -529.319 Base-Backbone interact. energy: -1.446 local terms energy: -556.169618 where: bonds (distance) C4'-P energy: -86.094 bonds (distance) P-C4' energy: -107.125 flat angles C4'-P-C4' energy: -115.647 flat angles P-C4'-P energy: -82.516 tors. eta vs tors. theta energy: -164.788 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: 3 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1782.264869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.264869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.264869 (E_RNA) where: Base-Base interactions energy: -1239.667 where: short stacking energy: -516.607 Base-Backbone interact. energy: -0.582 local terms energy: -542.015857 where: bonds (distance) C4'-P energy: -86.946 bonds (distance) P-C4' energy: -99.164 flat angles C4'-P-C4' energy: -113.174 flat angles P-C4'-P energy: -80.944 tors. eta vs tors. theta energy: -161.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1699.926819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.926819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.926819 (E_RNA) where: Base-Base interactions energy: -1178.106 where: short stacking energy: -480.633 Base-Backbone interact. energy: -2.529 local terms energy: -519.292309 where: bonds (distance) C4'-P energy: -99.052 bonds (distance) P-C4' energy: -96.171 flat angles C4'-P-C4' energy: -108.276 flat angles P-C4'-P energy: -68.744 tors. eta vs tors. theta energy: -147.051 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: 6 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1641.319443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.319443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.319443 (E_RNA) where: Base-Base interactions energy: -1165.617 where: short stacking energy: -477.731 Base-Backbone interact. energy: -2.802 local terms energy: -472.900298 where: bonds (distance) C4'-P energy: -77.205 bonds (distance) P-C4' energy: -90.236 flat angles C4'-P-C4' energy: -108.467 flat angles P-C4'-P energy: -65.060 tors. eta vs tors. theta energy: -131.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -1506.498146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.498146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.498146 (E_RNA) where: Base-Base interactions energy: -1062.018 where: short stacking energy: -402.959 Base-Backbone interact. energy: 0.993 local terms energy: -445.473292 where: bonds (distance) C4'-P energy: -91.498 bonds (distance) P-C4' energy: -84.228 flat angles C4'-P-C4' energy: -87.176 flat angles P-C4'-P energy: -70.650 tors. eta vs tors. theta energy: -111.922 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: 9 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -1489.510156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.510156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.510156 (E_RNA) where: Base-Base interactions energy: -1027.854 where: short stacking energy: -436.595 Base-Backbone interact. energy: -0.794 local terms energy: -460.862972 where: bonds (distance) C4'-P energy: -74.344 bonds (distance) P-C4' energy: -94.715 flat angles C4'-P-C4' energy: -96.725 flat angles P-C4'-P energy: -68.341 tors. eta vs tors. theta energy: -126.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1272.597308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.597308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.597308 (E_RNA) where: Base-Base interactions energy: -834.080 where: short stacking energy: -346.466 Base-Backbone interact. energy: -2.341 local terms energy: -436.176704 where: bonds (distance) C4'-P energy: -80.054 bonds (distance) P-C4' energy: -89.459 flat angles C4'-P-C4' energy: -95.154 flat angles P-C4'-P energy: -71.145 tors. eta vs tors. theta energy: -100.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1138.542112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.542112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.542112 (E_RNA) where: Base-Base interactions energy: -753.164 where: short stacking energy: -323.773 Base-Backbone interact. energy: -0.643 local terms energy: -384.735430 where: bonds (distance) C4'-P energy: -87.501 bonds (distance) P-C4' energy: -86.049 flat angles C4'-P-C4' energy: -77.975 flat angles P-C4'-P energy: -54.644 tors. eta vs tors. theta energy: -78.566 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: 8 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -1041.615240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.615240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.615240 (E_RNA) where: Base-Base interactions energy: -672.121 where: short stacking energy: -292.045 Base-Backbone interact. energy: -2.145 local terms energy: -367.348884 where: bonds (distance) C4'-P energy: -86.186 bonds (distance) P-C4' energy: -80.577 flat angles C4'-P-C4' energy: -93.868 flat angles P-C4'-P energy: -40.599 tors. eta vs tors. theta energy: -66.120 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: 7 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -778.242657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.242657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.242657 (E_RNA) where: Base-Base interactions energy: -479.556 where: short stacking energy: -194.957 Base-Backbone interact. energy: 2.681 local terms energy: -301.368101 where: bonds (distance) C4'-P energy: -69.258 bonds (distance) P-C4' energy: -76.420 flat angles C4'-P-C4' energy: -80.067 flat angles P-C4'-P energy: -51.428 tors. eta vs tors. theta energy: -24.195 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: 1 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1844.994474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.994474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.994474 (E_RNA) where: Base-Base interactions energy: -1284.283 where: short stacking energy: -504.089 Base-Backbone interact. energy: -1.245 local terms energy: -559.466361 where: bonds (distance) C4'-P energy: -96.744 bonds (distance) P-C4' energy: -97.342 flat angles C4'-P-C4' energy: -106.501 flat angles P-C4'-P energy: -94.484 tors. eta vs tors. theta energy: -164.396 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: 2, replica: 3 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1782.956076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.956076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.956076 (E_RNA) where: Base-Base interactions energy: -1241.678 where: short stacking energy: -522.357 Base-Backbone interact. energy: -1.814 local terms energy: -539.463557 where: bonds (distance) C4'-P energy: -90.730 bonds (distance) P-C4' energy: -90.952 flat angles C4'-P-C4' energy: -114.994 flat angles P-C4'-P energy: -74.020 tors. eta vs tors. theta energy: -168.767 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: 5 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1671.396265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.396265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.396265 (E_RNA) where: Base-Base interactions energy: -1157.868 where: short stacking energy: -478.901 Base-Backbone interact. energy: -0.113 local terms energy: -513.414945 where: bonds (distance) C4'-P energy: -94.803 bonds (distance) P-C4' energy: -97.299 flat angles C4'-P-C4' energy: -104.906 flat angles P-C4'-P energy: -73.596 tors. eta vs tors. theta energy: -142.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1635.942939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.942939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.942939 (E_RNA) where: Base-Base interactions energy: -1135.154 where: short stacking energy: -447.404 Base-Backbone interact. energy: -1.171 local terms energy: -499.617942 where: bonds (distance) C4'-P energy: -97.500 bonds (distance) P-C4' energy: -90.868 flat angles C4'-P-C4' energy: -104.943 flat angles P-C4'-P energy: -70.312 tors. eta vs tors. theta energy: -135.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -1560.621152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.621152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.621152 (E_RNA) where: Base-Base interactions energy: -1094.664 where: short stacking energy: -415.304 Base-Backbone interact. energy: 0.882 local terms energy: -466.839111 where: bonds (distance) C4'-P energy: -100.742 bonds (distance) P-C4' energy: -88.043 flat angles C4'-P-C4' energy: -98.501 flat angles P-C4'-P energy: -65.762 tors. eta vs tors. theta energy: -113.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1465.891628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.891628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.891628 (E_RNA) where: Base-Base interactions energy: -1019.133 where: short stacking energy: -409.890 Base-Backbone interact. energy: -0.686 local terms energy: -446.073333 where: bonds (distance) C4'-P energy: -87.276 bonds (distance) P-C4' energy: -80.819 flat angles C4'-P-C4' energy: -101.340 flat angles P-C4'-P energy: -64.354 tors. eta vs tors. theta energy: -112.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1235.861615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.861615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.861615 (E_RNA) where: Base-Base interactions energy: -824.457 where: short stacking energy: -348.902 Base-Backbone interact. energy: -0.931 local terms energy: -410.473986 where: bonds (distance) C4'-P energy: -73.846 bonds (distance) P-C4' energy: -86.680 flat angles C4'-P-C4' energy: -89.992 flat angles P-C4'-P energy: -64.051 tors. eta vs tors. theta energy: -95.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1122.911805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.911805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.911805 (E_RNA) where: Base-Base interactions energy: -719.366 where: short stacking energy: -320.963 Base-Backbone interact. energy: 1.345 local terms energy: -404.891068 where: bonds (distance) C4'-P energy: -95.298 bonds (distance) P-C4' energy: -90.063 flat angles C4'-P-C4' energy: -83.682 flat angles P-C4'-P energy: -63.941 tors. eta vs tors. theta energy: -71.908 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: 8 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -989.834060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.834060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.834060 (E_RNA) where: Base-Base interactions energy: -655.534 where: short stacking energy: -290.448 Base-Backbone interact. energy: -1.591 local terms energy: -332.709464 where: bonds (distance) C4'-P energy: -69.032 bonds (distance) P-C4' energy: -60.960 flat angles C4'-P-C4' energy: -81.343 flat angles P-C4'-P energy: -49.334 tors. eta vs tors. theta energy: -72.040 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: 7 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -767.923285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.923285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.923285 (E_RNA) where: Base-Base interactions energy: -463.958 where: short stacking energy: -216.515 Base-Backbone interact. energy: 1.771 local terms energy: -305.735784 where: bonds (distance) C4'-P energy: -77.731 bonds (distance) P-C4' energy: -74.077 flat angles C4'-P-C4' energy: -79.523 flat angles P-C4'-P energy: -38.485 tors. eta vs tors. theta energy: -35.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1857.645385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.645385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.645385 (E_RNA) where: Base-Base interactions energy: -1337.114 where: short stacking energy: -533.871 Base-Backbone interact. energy: -0.334 local terms energy: -520.198016 where: bonds (distance) C4'-P energy: -89.019 bonds (distance) P-C4' energy: -84.137 flat angles C4'-P-C4' energy: -109.884 flat angles P-C4'-P energy: -84.515 tors. eta vs tors. theta energy: -152.643 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: 3 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1793.725699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.725699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.725699 (E_RNA) where: Base-Base interactions energy: -1259.752 where: short stacking energy: -524.828 Base-Backbone interact. energy: -2.294 local terms energy: -531.679652 where: bonds (distance) C4'-P energy: -92.471 bonds (distance) P-C4' energy: -83.293 flat angles C4'-P-C4' energy: -110.135 flat angles P-C4'-P energy: -85.182 tors. eta vs tors. theta energy: -160.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1717.226355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.226355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.226355 (E_RNA) where: Base-Base interactions energy: -1197.661 where: short stacking energy: -483.098 Base-Backbone interact. energy: -0.912 local terms energy: -518.652603 where: bonds (distance) C4'-P energy: -93.123 bonds (distance) P-C4' energy: -101.709 flat angles C4'-P-C4' energy: -104.680 flat angles P-C4'-P energy: -67.434 tors. eta vs tors. theta energy: -151.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1631.860139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.860139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.860139 (E_RNA) where: Base-Base interactions energy: -1133.405 where: short stacking energy: -451.944 Base-Backbone interact. energy: -0.158 local terms energy: -498.296661 where: bonds (distance) C4'-P energy: -93.447 bonds (distance) P-C4' energy: -84.429 flat angles C4'-P-C4' energy: -100.474 flat angles P-C4'-P energy: -81.589 tors. eta vs tors. theta energy: -138.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1480.615871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.615871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.615871 (E_RNA) where: Base-Base interactions energy: -1062.803 where: short stacking energy: -401.890 Base-Backbone interact. energy: 2.161 local terms energy: -419.973585 where: bonds (distance) C4'-P energy: -63.448 bonds (distance) P-C4' energy: -92.753 flat angles C4'-P-C4' energy: -99.015 flat angles P-C4'-P energy: -55.912 tors. eta vs tors. theta energy: -108.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1434.800158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.800158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.800158 (E_RNA) where: Base-Base interactions energy: -982.451 where: short stacking energy: -401.503 Base-Backbone interact. energy: 1.970 local terms energy: -454.318866 where: bonds (distance) C4'-P energy: -82.547 bonds (distance) P-C4' energy: -96.995 flat angles C4'-P-C4' energy: -100.909 flat angles P-C4'-P energy: -65.330 tors. eta vs tors. theta energy: -108.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1199.953473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.953473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.953473 (E_RNA) where: Base-Base interactions energy: -780.335 where: short stacking energy: -348.328 Base-Backbone interact. energy: -0.548 local terms energy: -419.070085 where: bonds (distance) C4'-P energy: -71.112 bonds (distance) P-C4' energy: -88.599 flat angles C4'-P-C4' energy: -96.017 flat angles P-C4'-P energy: -60.068 tors. eta vs tors. theta energy: -103.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1107.032669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.032669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.032669 (E_RNA) where: Base-Base interactions energy: -736.473 where: short stacking energy: -315.704 Base-Backbone interact. energy: -1.966 local terms energy: -368.593821 where: bonds (distance) C4'-P energy: -80.386 bonds (distance) P-C4' energy: -87.091 flat angles C4'-P-C4' energy: -86.616 flat angles P-C4'-P energy: -44.383 tors. eta vs tors. theta energy: -70.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -1037.539409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.539409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.539409 (E_RNA) where: Base-Base interactions energy: -629.368 where: short stacking energy: -272.181 Base-Backbone interact. energy: 0.149 local terms energy: -408.320927 where: bonds (distance) C4'-P energy: -96.721 bonds (distance) P-C4' energy: -92.188 flat angles C4'-P-C4' energy: -102.189 flat angles P-C4'-P energy: -51.432 tors. eta vs tors. theta energy: -65.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -765.014713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.014713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.014713 (E_RNA) where: Base-Base interactions energy: -485.169 where: short stacking energy: -217.781 Base-Backbone interact. energy: 2.155 local terms energy: -282.000418 where: bonds (distance) C4'-P energy: -78.875 bonds (distance) P-C4' energy: -81.466 flat angles C4'-P-C4' energy: -58.281 flat angles P-C4'-P energy: -39.133 tors. eta vs tors. theta energy: -24.245 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: 1 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1870.860727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.860727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.860727 (E_RNA) where: Base-Base interactions energy: -1319.700 where: short stacking energy: -526.175 Base-Backbone interact. energy: -2.793 local terms energy: -548.367330 where: bonds (distance) C4'-P energy: -107.599 bonds (distance) P-C4' energy: -90.379 flat angles C4'-P-C4' energy: -109.927 flat angles P-C4'-P energy: -79.560 tors. eta vs tors. theta energy: -160.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1820.452512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.452512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.452512 (E_RNA) where: Base-Base interactions energy: -1280.426 where: short stacking energy: -527.893 Base-Backbone interact. energy: 2.275 local terms energy: -542.301550 where: bonds (distance) C4'-P energy: -102.208 bonds (distance) P-C4' energy: -93.349 flat angles C4'-P-C4' energy: -111.338 flat angles P-C4'-P energy: -75.664 tors. eta vs tors. theta energy: -159.743 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: 3, replica: 5 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1723.089583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.089583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.089583 (E_RNA) where: Base-Base interactions energy: -1173.618 where: short stacking energy: -498.108 Base-Backbone interact. energy: -0.344 local terms energy: -549.127138 where: bonds (distance) C4'-P energy: -102.344 bonds (distance) P-C4' energy: -94.121 flat angles C4'-P-C4' energy: -107.847 flat angles P-C4'-P energy: -85.721 tors. eta vs tors. theta energy: -159.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1624.032550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.032550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.032550 (E_RNA) where: Base-Base interactions energy: -1143.239 where: short stacking energy: -438.861 Base-Backbone interact. energy: -1.834 local terms energy: -478.959558 where: bonds (distance) C4'-P energy: -86.452 bonds (distance) P-C4' energy: -83.818 flat angles C4'-P-C4' energy: -108.720 flat angles P-C4'-P energy: -68.877 tors. eta vs tors. theta energy: -131.093 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: 4 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -1509.530652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.530652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.530652 (E_RNA) where: Base-Base interactions energy: -1080.076 where: short stacking energy: -415.168 Base-Backbone interact. energy: -4.110 local terms energy: -425.345106 where: bonds (distance) C4'-P energy: -77.856 bonds (distance) P-C4' energy: -76.517 flat angles C4'-P-C4' energy: -102.708 flat angles P-C4'-P energy: -58.795 tors. eta vs tors. theta energy: -109.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1440.006275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.006275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.006275 (E_RNA) where: Base-Base interactions energy: -991.509 where: short stacking energy: -409.676 Base-Backbone interact. energy: -0.469 local terms energy: -448.028378 where: bonds (distance) C4'-P energy: -81.912 bonds (distance) P-C4' energy: -89.276 flat angles C4'-P-C4' energy: -96.325 flat angles P-C4'-P energy: -65.529 tors. eta vs tors. theta energy: -114.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1128.872895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.872895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.872895 (E_RNA) where: Base-Base interactions energy: -762.960 where: short stacking energy: -316.447 Base-Backbone interact. energy: 1.134 local terms energy: -367.046852 where: bonds (distance) C4'-P energy: -80.283 bonds (distance) P-C4' energy: -75.548 flat angles C4'-P-C4' energy: -85.769 flat angles P-C4'-P energy: -53.360 tors. eta vs tors. theta energy: -72.087 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: 8, replica: 10 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1126.089848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.089848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.089848 (E_RNA) where: Base-Base interactions energy: -749.257 where: short stacking energy: -342.884 Base-Backbone interact. energy: -2.717 local terms energy: -374.115500 where: bonds (distance) C4'-P energy: -80.948 bonds (distance) P-C4' energy: -88.918 flat angles C4'-P-C4' energy: -79.767 flat angles P-C4'-P energy: -49.231 tors. eta vs tors. theta energy: -75.252 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: 9, replica: 8 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -1034.888580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.888580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.888580 (E_RNA) where: Base-Base interactions energy: -688.495 where: short stacking energy: -297.229 Base-Backbone interact. energy: 0.619 local terms energy: -347.012812 where: bonds (distance) C4'-P energy: -86.021 bonds (distance) P-C4' energy: -92.657 flat angles C4'-P-C4' energy: -72.344 flat angles P-C4'-P energy: -36.597 tors. eta vs tors. theta energy: -59.394 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: 10, replica: 7 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -778.771986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.771986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.771986 (E_RNA) where: Base-Base interactions energy: -476.927 where: short stacking energy: -231.434 Base-Backbone interact. energy: 4.980 local terms energy: -306.825184 where: bonds (distance) C4'-P energy: -69.712 bonds (distance) P-C4' energy: -94.520 flat angles C4'-P-C4' energy: -68.938 flat angles P-C4'-P energy: -38.803 tors. eta vs tors. theta energy: -34.853 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: 1 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1866.390797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.390797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.390797 (E_RNA) where: Base-Base interactions energy: -1312.044 where: short stacking energy: -521.324 Base-Backbone interact. energy: -0.852 local terms energy: -553.494504 where: bonds (distance) C4'-P energy: -99.451 bonds (distance) P-C4' energy: -96.386 flat angles C4'-P-C4' energy: -114.823 flat angles P-C4'-P energy: -79.579 tors. eta vs tors. theta energy: -163.254 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: 3 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1814.557964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.557964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.557964 (E_RNA) where: Base-Base interactions energy: -1291.396 where: short stacking energy: -520.895 Base-Backbone interact. energy: -2.306 local terms energy: -520.856713 where: bonds (distance) C4'-P energy: -89.274 bonds (distance) P-C4' energy: -88.956 flat angles C4'-P-C4' energy: -103.510 flat angles P-C4'-P energy: -75.597 tors. eta vs tors. theta energy: -163.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1735.010265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.010265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.010265 (E_RNA) where: Base-Base interactions energy: -1217.632 where: short stacking energy: -520.141 Base-Backbone interact. energy: -1.947 local terms energy: -515.431892 where: bonds (distance) C4'-P energy: -85.135 bonds (distance) P-C4' energy: -96.013 flat angles C4'-P-C4' energy: -109.598 flat angles P-C4'-P energy: -67.282 tors. eta vs tors. theta energy: -157.404 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: 4, replica: 6 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1622.739419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.739419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.739419 (E_RNA) where: Base-Base interactions energy: -1140.984 where: short stacking energy: -454.059 Base-Backbone interact. energy: -1.761 local terms energy: -479.994942 where: bonds (distance) C4'-P energy: -92.827 bonds (distance) P-C4' energy: -85.835 flat angles C4'-P-C4' energy: -93.406 flat angles P-C4'-P energy: -70.055 tors. eta vs tors. theta energy: -137.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -1527.026508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.026508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.026508 (E_RNA) where: Base-Base interactions energy: -1079.995 where: short stacking energy: -413.835 Base-Backbone interact. energy: 1.967 local terms energy: -448.998467 where: bonds (distance) C4'-P energy: -82.861 bonds (distance) P-C4' energy: -90.513 flat angles C4'-P-C4' energy: -95.887 flat angles P-C4'-P energy: -67.833 tors. eta vs tors. theta energy: -111.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1453.571985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.571985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.571985 (E_RNA) where: Base-Base interactions energy: -1004.214 where: short stacking energy: -425.029 Base-Backbone interact. energy: -0.505 local terms energy: -448.852413 where: bonds (distance) C4'-P energy: -75.498 bonds (distance) P-C4' energy: -72.486 flat angles C4'-P-C4' energy: -104.452 flat angles P-C4'-P energy: -73.017 tors. eta vs tors. theta energy: -123.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1285.274250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.274250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.274250 (E_RNA) where: Base-Base interactions energy: -867.650 where: short stacking energy: -378.388 Base-Backbone interact. energy: 0.572 local terms energy: -418.196387 where: bonds (distance) C4'-P energy: -86.003 bonds (distance) P-C4' energy: -73.948 flat angles C4'-P-C4' energy: -97.021 flat angles P-C4'-P energy: -50.722 tors. eta vs tors. theta energy: -110.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1061.582518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.582518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.582518 (E_RNA) where: Base-Base interactions energy: -693.999 where: short stacking energy: -317.616 Base-Backbone interact. energy: -1.038 local terms energy: -366.545796 where: bonds (distance) C4'-P energy: -83.856 bonds (distance) P-C4' energy: -80.073 flat angles C4'-P-C4' energy: -70.602 flat angles P-C4'-P energy: -56.736 tors. eta vs tors. theta energy: -75.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -1069.500602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.500602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.500602 (E_RNA) where: Base-Base interactions energy: -705.336 where: short stacking energy: -305.858 Base-Backbone interact. energy: 0.983 local terms energy: -365.147251 where: bonds (distance) C4'-P energy: -80.497 bonds (distance) P-C4' energy: -74.514 flat angles C4'-P-C4' energy: -77.761 flat angles P-C4'-P energy: -56.858 tors. eta vs tors. theta energy: -75.517 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: 7 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -765.018828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.018828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.018828 (E_RNA) where: Base-Base interactions energy: -476.418 where: short stacking energy: -211.662 Base-Backbone interact. energy: 2.013 local terms energy: -290.613265 where: bonds (distance) C4'-P energy: -71.481 bonds (distance) P-C4' energy: -79.312 flat angles C4'-P-C4' energy: -78.562 flat angles P-C4'-P energy: -40.472 tors. eta vs tors. theta energy: -20.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1868.883745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.883745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.883745 (E_RNA) where: Base-Base interactions energy: -1313.416 where: short stacking energy: -514.511 Base-Backbone interact. energy: 0.272 local terms energy: -555.740229 where: bonds (distance) C4'-P energy: -95.996 bonds (distance) P-C4' energy: -97.415 flat angles C4'-P-C4' energy: -116.453 flat angles P-C4'-P energy: -79.189 tors. eta vs tors. theta energy: -166.688 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: 3 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1780.889616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.889616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.889616 (E_RNA) where: Base-Base interactions energy: -1240.764 where: short stacking energy: -504.236 Base-Backbone interact. energy: -1.574 local terms energy: -538.551278 where: bonds (distance) C4'-P energy: -98.445 bonds (distance) P-C4' energy: -94.178 flat angles C4'-P-C4' energy: -102.470 flat angles P-C4'-P energy: -82.779 tors. eta vs tors. theta energy: -160.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1694.614545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.614545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.614545 (E_RNA) where: Base-Base interactions energy: -1179.264 where: short stacking energy: -487.098 Base-Backbone interact. energy: -2.230 local terms energy: -513.120079 where: bonds (distance) C4'-P energy: -89.681 bonds (distance) P-C4' energy: -94.233 flat angles C4'-P-C4' energy: -111.400 flat angles P-C4'-P energy: -69.103 tors. eta vs tors. theta energy: -148.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1617.027529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.027529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.027529 (E_RNA) where: Base-Base interactions energy: -1112.810 where: short stacking energy: -444.076 Base-Backbone interact. energy: 1.424 local terms energy: -505.641292 where: bonds (distance) C4'-P energy: -94.260 bonds (distance) P-C4' energy: -90.490 flat angles C4'-P-C4' energy: -109.890 flat angles P-C4'-P energy: -74.448 tors. eta vs tors. theta energy: -136.553 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: 4 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1534.836789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.836789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.836789 (E_RNA) where: Base-Base interactions energy: -1096.552 where: short stacking energy: -414.646 Base-Backbone interact. energy: -0.791 local terms energy: -437.494125 where: bonds (distance) C4'-P energy: -80.391 bonds (distance) P-C4' energy: -88.041 flat angles C4'-P-C4' energy: -92.897 flat angles P-C4'-P energy: -57.559 tors. eta vs tors. theta energy: -118.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1437.796321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.796321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.796321 (E_RNA) where: Base-Base interactions energy: -987.710 where: short stacking energy: -407.168 Base-Backbone interact. energy: -1.131 local terms energy: -448.954635 where: bonds (distance) C4'-P energy: -92.317 bonds (distance) P-C4' energy: -87.991 flat angles C4'-P-C4' energy: -96.910 flat angles P-C4'-P energy: -56.087 tors. eta vs tors. theta energy: -115.651 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: 2 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1286.834304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.834304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.834304 (E_RNA) where: Base-Base interactions energy: -881.967 where: short stacking energy: -369.944 Base-Backbone interact. energy: 1.098 local terms energy: -405.965279 where: bonds (distance) C4'-P energy: -72.530 bonds (distance) P-C4' energy: -82.661 flat angles C4'-P-C4' energy: -97.182 flat angles P-C4'-P energy: -55.697 tors. eta vs tors. theta energy: -97.895 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: 8 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1070.267218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.267218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.267218 (E_RNA) where: Base-Base interactions energy: -683.243 where: short stacking energy: -286.873 Base-Backbone interact. energy: -0.213 local terms energy: -386.811645 where: bonds (distance) C4'-P energy: -82.531 bonds (distance) P-C4' energy: -82.065 flat angles C4'-P-C4' energy: -92.238 flat angles P-C4'-P energy: -48.769 tors. eta vs tors. theta energy: -81.207 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: 10 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -1093.616104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.616104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.616104 (E_RNA) where: Base-Base interactions energy: -720.001 where: short stacking energy: -305.759 Base-Backbone interact. energy: -4.839 local terms energy: -368.776110 where: bonds (distance) C4'-P energy: -82.430 bonds (distance) P-C4' energy: -77.438 flat angles C4'-P-C4' energy: -78.446 flat angles P-C4'-P energy: -58.915 tors. eta vs tors. theta energy: -71.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -777.474280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.474280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.474280 (E_RNA) where: Base-Base interactions energy: -492.221 where: short stacking energy: -218.800 Base-Backbone interact. energy: -1.448 local terms energy: -283.805165 where: bonds (distance) C4'-P energy: -71.742 bonds (distance) P-C4' energy: -80.425 flat angles C4'-P-C4' energy: -56.833 flat angles P-C4'-P energy: -42.457 tors. eta vs tors. theta energy: -32.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1862.876079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.876079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.876079 (E_RNA) where: Base-Base interactions energy: -1323.871 where: short stacking energy: -522.507 Base-Backbone interact. energy: -2.849 local terms energy: -536.155413 where: bonds (distance) C4'-P energy: -103.506 bonds (distance) P-C4' energy: -88.315 flat angles C4'-P-C4' energy: -112.331 flat angles P-C4'-P energy: -69.404 tors. eta vs tors. theta energy: -162.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1794.648901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.648901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.648901 (E_RNA) where: Base-Base interactions energy: -1238.026 where: short stacking energy: -517.566 Base-Backbone interact. energy: -0.598 local terms energy: -556.025013 where: bonds (distance) C4'-P energy: -92.249 bonds (distance) P-C4' energy: -97.986 flat angles C4'-P-C4' energy: -115.015 flat angles P-C4'-P energy: -83.225 tors. eta vs tors. theta energy: -167.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1719.355225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.355225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.355225 (E_RNA) where: Base-Base interactions energy: -1214.930 where: short stacking energy: -507.473 Base-Backbone interact. energy: -0.298 local terms energy: -504.127710 where: bonds (distance) C4'-P energy: -80.370 bonds (distance) P-C4' energy: -85.420 flat angles C4'-P-C4' energy: -114.336 flat angles P-C4'-P energy: -71.245 tors. eta vs tors. theta energy: -152.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1560.624459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.624459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.624459 (E_RNA) where: Base-Base interactions energy: -1093.676 where: short stacking energy: -425.975 Base-Backbone interact. energy: -0.457 local terms energy: -466.491498 where: bonds (distance) C4'-P energy: -95.002 bonds (distance) P-C4' energy: -95.112 flat angles C4'-P-C4' energy: -100.715 flat angles P-C4'-P energy: -62.751 tors. eta vs tors. theta energy: -112.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1590.735560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.735560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.735560 (E_RNA) where: Base-Base interactions energy: -1116.745 where: short stacking energy: -427.628 Base-Backbone interact. energy: -0.690 local terms energy: -473.300930 where: bonds (distance) C4'-P energy: -93.167 bonds (distance) P-C4' energy: -90.270 flat angles C4'-P-C4' energy: -100.459 flat angles P-C4'-P energy: -56.858 tors. eta vs tors. theta energy: -132.547 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: 9 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1456.021991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.021991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.021991 (E_RNA) where: Base-Base interactions energy: -1007.943 where: short stacking energy: -422.076 Base-Backbone interact. energy: 1.428 local terms energy: -449.507795 where: bonds (distance) C4'-P energy: -89.766 bonds (distance) P-C4' energy: -77.092 flat angles C4'-P-C4' energy: -96.848 flat angles P-C4'-P energy: -67.110 tors. eta vs tors. theta energy: -118.692 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: 7, replica: 2 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1326.031236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.031236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.031236 (E_RNA) where: Base-Base interactions energy: -865.338 where: short stacking energy: -399.135 Base-Backbone interact. energy: -0.743 local terms energy: -459.950437 where: bonds (distance) C4'-P energy: -78.152 bonds (distance) P-C4' energy: -93.174 flat angles C4'-P-C4' energy: -103.525 flat angles P-C4'-P energy: -62.910 tors. eta vs tors. theta energy: -122.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1163.758135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.758135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.758135 (E_RNA) where: Base-Base interactions energy: -787.426 where: short stacking energy: -350.375 Base-Backbone interact. energy: 3.988 local terms energy: -380.319937 where: bonds (distance) C4'-P energy: -71.621 bonds (distance) P-C4' energy: -80.974 flat angles C4'-P-C4' energy: -76.930 flat angles P-C4'-P energy: -57.769 tors. eta vs tors. theta energy: -93.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -1060.634129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.634129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.634129 (E_RNA) where: Base-Base interactions energy: -692.155 where: short stacking energy: -294.949 Base-Backbone interact. energy: -0.180 local terms energy: -368.299034 where: bonds (distance) C4'-P energy: -84.433 bonds (distance) P-C4' energy: -75.882 flat angles C4'-P-C4' energy: -87.470 flat angles P-C4'-P energy: -48.627 tors. eta vs tors. theta energy: -71.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -760.550244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.550244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.550244 (E_RNA) where: Base-Base interactions energy: -467.237 where: short stacking energy: -212.226 Base-Backbone interact. energy: -0.167 local terms energy: -293.146256 where: bonds (distance) C4'-P energy: -58.397 bonds (distance) P-C4' energy: -81.934 flat angles C4'-P-C4' energy: -67.056 flat angles P-C4'-P energy: -48.304 tors. eta vs tors. theta energy: -37.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1866.212334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.212334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.212334 (E_RNA) where: Base-Base interactions energy: -1325.998 where: short stacking energy: -529.929 Base-Backbone interact. energy: 1.246 local terms energy: -541.460069 where: bonds (distance) C4'-P energy: -96.474 bonds (distance) P-C4' energy: -91.366 flat angles C4'-P-C4' energy: -110.736 flat angles P-C4'-P energy: -79.263 tors. eta vs tors. theta energy: -163.620 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: 3 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1789.677558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.677558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.677558 (E_RNA) where: Base-Base interactions energy: -1247.200 where: short stacking energy: -509.411 Base-Backbone interact. energy: -1.906 local terms energy: -540.570982 where: bonds (distance) C4'-P energy: -91.736 bonds (distance) P-C4' energy: -99.136 flat angles C4'-P-C4' energy: -114.671 flat angles P-C4'-P energy: -77.008 tors. eta vs tors. theta energy: -158.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1695.156056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.156056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.156056 (E_RNA) where: Base-Base interactions energy: -1180.000 where: short stacking energy: -486.610 Base-Backbone interact. energy: 1.698 local terms energy: -516.854111 where: bonds (distance) C4'-P energy: -90.672 bonds (distance) P-C4' energy: -101.940 flat angles C4'-P-C4' energy: -105.732 flat angles P-C4'-P energy: -59.244 tors. eta vs tors. theta energy: -159.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1590.254132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.254132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.254132 (E_RNA) where: Base-Base interactions energy: -1114.025 where: short stacking energy: -419.825 Base-Backbone interact. energy: -2.456 local terms energy: -473.773163 where: bonds (distance) C4'-P energy: -84.396 bonds (distance) P-C4' energy: -89.108 flat angles C4'-P-C4' energy: -101.417 flat angles P-C4'-P energy: -74.836 tors. eta vs tors. theta energy: -124.016 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: 6 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -1601.926644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.926644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.926644 (E_RNA) where: Base-Base interactions energy: -1136.740 where: short stacking energy: -458.687 Base-Backbone interact. energy: 1.037 local terms energy: -466.223257 where: bonds (distance) C4'-P energy: -89.674 bonds (distance) P-C4' energy: -85.395 flat angles C4'-P-C4' energy: -92.747 flat angles P-C4'-P energy: -66.318 tors. eta vs tors. theta energy: -132.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1446.571258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.571258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.571258 (E_RNA) where: Base-Base interactions energy: -1012.497 where: short stacking energy: -428.074 Base-Backbone interact. energy: 1.971 local terms energy: -436.044503 where: bonds (distance) C4'-P energy: -83.111 bonds (distance) P-C4' energy: -80.435 flat angles C4'-P-C4' energy: -95.459 flat angles P-C4'-P energy: -53.156 tors. eta vs tors. theta energy: -123.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1272.324530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.324530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.324530 (E_RNA) where: Base-Base interactions energy: -856.004 where: short stacking energy: -395.807 Base-Backbone interact. energy: -0.722 local terms energy: -415.598923 where: bonds (distance) C4'-P energy: -77.212 bonds (distance) P-C4' energy: -85.540 flat angles C4'-P-C4' energy: -86.210 flat angles P-C4'-P energy: -50.320 tors. eta vs tors. theta energy: -116.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1146.972983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.972983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.972983 (E_RNA) where: Base-Base interactions energy: -780.554 where: short stacking energy: -334.932 Base-Backbone interact. energy: -1.318 local terms energy: -365.100978 where: bonds (distance) C4'-P energy: -75.853 bonds (distance) P-C4' energy: -73.567 flat angles C4'-P-C4' energy: -77.609 flat angles P-C4'-P energy: -53.510 tors. eta vs tors. theta energy: -84.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -1023.866736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.866736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.866736 (E_RNA) where: Base-Base interactions energy: -663.650 where: short stacking energy: -271.521 Base-Backbone interact. energy: 0.843 local terms energy: -361.060057 where: bonds (distance) C4'-P energy: -61.367 bonds (distance) P-C4' energy: -90.730 flat angles C4'-P-C4' energy: -78.937 flat angles P-C4'-P energy: -70.394 tors. eta vs tors. theta energy: -59.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -755.733656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.733656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.733656 (E_RNA) where: Base-Base interactions energy: -460.916 where: short stacking energy: -186.430 Base-Backbone interact. energy: -0.389 local terms energy: -294.429237 where: bonds (distance) C4'-P energy: -62.593 bonds (distance) P-C4' energy: -86.558 flat angles C4'-P-C4' energy: -82.480 flat angles P-C4'-P energy: -46.769 tors. eta vs tors. theta energy: -16.029 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: 1 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1845.044813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.044813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.044813 (E_RNA) where: Base-Base interactions energy: -1297.524 where: short stacking energy: -529.978 Base-Backbone interact. energy: -3.319 local terms energy: -544.202401 where: bonds (distance) C4'-P energy: -102.813 bonds (distance) P-C4' energy: -86.618 flat angles C4'-P-C4' energy: -114.487 flat angles P-C4'-P energy: -75.275 tors. eta vs tors. theta energy: -165.011 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: 2, replica: 3 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1790.076380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.076380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.076380 (E_RNA) where: Base-Base interactions energy: -1252.042 where: short stacking energy: -521.785 Base-Backbone interact. energy: -1.144 local terms energy: -536.890536 where: bonds (distance) C4'-P energy: -86.726 bonds (distance) P-C4' energy: -91.029 flat angles C4'-P-C4' energy: -111.107 flat angles P-C4'-P energy: -83.580 tors. eta vs tors. theta energy: -164.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1738.071538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.071538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.071538 (E_RNA) where: Base-Base interactions energy: -1212.273 where: short stacking energy: -487.242 Base-Backbone interact. energy: -1.253 local terms energy: -524.545712 where: bonds (distance) C4'-P energy: -89.226 bonds (distance) P-C4' energy: -97.404 flat angles C4'-P-C4' energy: -113.583 flat angles P-C4'-P energy: -71.434 tors. eta vs tors. theta energy: -152.900 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: 4, replica: 4 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1585.174754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.174754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.174754 (E_RNA) where: Base-Base interactions energy: -1117.240 where: short stacking energy: -418.686 Base-Backbone interact. energy: -0.405 local terms energy: -467.529697 where: bonds (distance) C4'-P energy: -88.264 bonds (distance) P-C4' energy: -84.530 flat angles C4'-P-C4' energy: -107.652 flat angles P-C4'-P energy: -68.843 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: 5, replica: 6 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -1641.248331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.248331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.248331 (E_RNA) where: Base-Base interactions energy: -1149.291 where: short stacking energy: -457.631 Base-Backbone interact. energy: -0.356 local terms energy: -491.601461 where: bonds (distance) C4'-P energy: -96.998 bonds (distance) P-C4' energy: -86.203 flat angles C4'-P-C4' energy: -106.407 flat angles P-C4'-P energy: -68.866 tors. eta vs tors. theta energy: -133.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1451.322635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.322635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.322635 (E_RNA) where: Base-Base interactions energy: -1001.443 where: short stacking energy: -421.057 Base-Backbone interact. energy: -0.744 local terms energy: -449.135531 where: bonds (distance) C4'-P energy: -80.314 bonds (distance) P-C4' energy: -79.352 flat angles C4'-P-C4' energy: -99.329 flat angles P-C4'-P energy: -66.402 tors. eta vs tors. theta energy: -123.738 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: 7, replica: 2 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1223.418849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.418849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.418849 (E_RNA) where: Base-Base interactions energy: -815.279 where: short stacking energy: -340.442 Base-Backbone interact. energy: -2.413 local terms energy: -405.726251 where: bonds (distance) C4'-P energy: -76.838 bonds (distance) P-C4' energy: -83.725 flat angles C4'-P-C4' energy: -89.001 flat angles P-C4'-P energy: -62.095 tors. eta vs tors. theta energy: -94.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1168.806580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.806580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.806580 (E_RNA) where: Base-Base interactions energy: -791.065 where: short stacking energy: -334.322 Base-Backbone interact. energy: -2.265 local terms energy: -375.476312 where: bonds (distance) C4'-P energy: -71.670 bonds (distance) P-C4' energy: -82.164 flat angles C4'-P-C4' energy: -86.643 flat angles P-C4'-P energy: -41.775 tors. eta vs tors. theta energy: -93.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -1026.270943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.270943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.270943 (E_RNA) where: Base-Base interactions energy: -668.717 where: short stacking energy: -282.317 Base-Backbone interact. energy: -2.674 local terms energy: -354.879552 where: bonds (distance) C4'-P energy: -80.644 bonds (distance) P-C4' energy: -85.073 flat angles C4'-P-C4' energy: -81.896 flat angles P-C4'-P energy: -48.724 tors. eta vs tors. theta energy: -58.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -797.323464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.323464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.323464 (E_RNA) where: Base-Base interactions energy: -481.348 where: short stacking energy: -221.348 Base-Backbone interact. energy: 6.120 local terms energy: -322.095241 where: bonds (distance) C4'-P energy: -73.800 bonds (distance) P-C4' energy: -90.693 flat angles C4'-P-C4' energy: -78.773 flat angles P-C4'-P energy: -43.143 tors. eta vs tors. theta energy: -35.686 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: 1 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1828.958673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.958673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.958673 (E_RNA) where: Base-Base interactions energy: -1287.145 where: short stacking energy: -517.418 Base-Backbone interact. energy: -1.385 local terms energy: -540.429374 where: bonds (distance) C4'-P energy: -105.221 bonds (distance) P-C4' energy: -85.730 flat angles C4'-P-C4' energy: -121.435 flat angles P-C4'-P energy: -74.020 tors. eta vs tors. theta energy: -154.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1788.131908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.131908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.131908 (E_RNA) where: Base-Base interactions energy: -1241.978 where: short stacking energy: -541.108 Base-Backbone interact. energy: -1.231 local terms energy: -544.923065 where: bonds (distance) C4'-P energy: -101.718 bonds (distance) P-C4' energy: -93.163 flat angles C4'-P-C4' energy: -111.776 flat angles P-C4'-P energy: -73.755 tors. eta vs tors. theta energy: -164.511 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: 3, replica: 5 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1709.723976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.723976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.723976 (E_RNA) where: Base-Base interactions energy: -1209.536 where: short stacking energy: -484.152 Base-Backbone interact. energy: -0.851 local terms energy: -499.336726 where: bonds (distance) C4'-P energy: -72.850 bonds (distance) P-C4' energy: -96.322 flat angles C4'-P-C4' energy: -108.060 flat angles P-C4'-P energy: -72.041 tors. eta vs tors. theta energy: -150.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1582.337652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.337652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.337652 (E_RNA) where: Base-Base interactions energy: -1128.868 where: short stacking energy: -432.933 Base-Backbone interact. energy: -1.412 local terms energy: -452.057912 where: bonds (distance) C4'-P energy: -91.303 bonds (distance) P-C4' energy: -73.765 flat angles C4'-P-C4' energy: -97.893 flat angles P-C4'-P energy: -66.033 tors. eta vs tors. theta energy: -123.064 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: 6 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -1634.904834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.904834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.904834 (E_RNA) where: Base-Base interactions energy: -1158.820 where: short stacking energy: -464.306 Base-Backbone interact. energy: -1.127 local terms energy: -474.957912 where: bonds (distance) C4'-P energy: -88.446 bonds (distance) P-C4' energy: -80.490 flat angles C4'-P-C4' energy: -94.602 flat angles P-C4'-P energy: -69.800 tors. eta vs tors. theta energy: -141.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -1432.695759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.695759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.695759 (E_RNA) where: Base-Base interactions energy: -1000.739 where: short stacking energy: -407.297 Base-Backbone interact. energy: 1.553 local terms energy: -433.508939 where: bonds (distance) C4'-P energy: -77.154 bonds (distance) P-C4' energy: -85.476 flat angles C4'-P-C4' energy: -90.671 flat angles P-C4'-P energy: -58.418 tors. eta vs tors. theta energy: -121.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1232.214895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.214895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.214895 (E_RNA) where: Base-Base interactions energy: -796.122 where: short stacking energy: -368.796 Base-Backbone interact. energy: 0.039 local terms energy: -436.132039 where: bonds (distance) C4'-P energy: -83.947 bonds (distance) P-C4' energy: -98.449 flat angles C4'-P-C4' energy: -93.444 flat angles P-C4'-P energy: -68.693 tors. eta vs tors. theta energy: -91.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1173.823737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.823737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.823737 (E_RNA) where: Base-Base interactions energy: -800.326 where: short stacking energy: -330.049 Base-Backbone interact. energy: 1.457 local terms energy: -374.954102 where: bonds (distance) C4'-P energy: -69.403 bonds (distance) P-C4' energy: -76.394 flat angles C4'-P-C4' energy: -86.983 flat angles P-C4'-P energy: -52.521 tors. eta vs tors. theta energy: -89.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -1076.225448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.225448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.225448 (E_RNA) where: Base-Base interactions energy: -674.217 where: short stacking energy: -296.698 Base-Backbone interact. energy: 3.386 local terms energy: -405.394152 where: bonds (distance) C4'-P energy: -85.732 bonds (distance) P-C4' energy: -93.106 flat angles C4'-P-C4' energy: -85.059 flat angles P-C4'-P energy: -62.641 tors. eta vs tors. theta energy: -78.857 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: 7 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -832.975828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.975828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.975828 (E_RNA) where: Base-Base interactions energy: -533.504 where: short stacking energy: -249.081 Base-Backbone interact. energy: -0.231 local terms energy: -299.241214 where: bonds (distance) C4'-P energy: -71.058 bonds (distance) P-C4' energy: -74.974 flat angles C4'-P-C4' energy: -71.655 flat angles P-C4'-P energy: -38.936 tors. eta vs tors. theta energy: -42.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1825.335584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.335584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.335584 (E_RNA) where: Base-Base interactions energy: -1272.731 where: short stacking energy: -515.311 Base-Backbone interact. energy: -2.751 local terms energy: -549.854036 where: bonds (distance) C4'-P energy: -101.394 bonds (distance) P-C4' energy: -102.955 flat angles C4'-P-C4' energy: -114.981 flat angles P-C4'-P energy: -70.543 tors. eta vs tors. theta energy: -159.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1784.029776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.029776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.029776 (E_RNA) where: Base-Base interactions energy: -1237.379 where: short stacking energy: -513.054 Base-Backbone interact. energy: 0.963 local terms energy: -547.613316 where: bonds (distance) C4'-P energy: -105.520 bonds (distance) P-C4' energy: -93.296 flat angles C4'-P-C4' energy: -117.343 flat angles P-C4'-P energy: -78.613 tors. eta vs tors. theta energy: -152.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1714.501715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.501715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.501715 (E_RNA) where: Base-Base interactions energy: -1208.274 where: short stacking energy: -503.104 Base-Backbone interact. energy: 0.333 local terms energy: -506.561569 where: bonds (distance) C4'-P energy: -91.466 bonds (distance) P-C4' energy: -75.489 flat angles C4'-P-C4' energy: -98.851 flat angles P-C4'-P energy: -83.379 tors. eta vs tors. theta energy: -157.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1658.895609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.895609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.895609 (E_RNA) where: Base-Base interactions energy: -1169.089 where: short stacking energy: -460.292 Base-Backbone interact. energy: 0.306 local terms energy: -490.112672 where: bonds (distance) C4'-P energy: -84.170 bonds (distance) P-C4' energy: -94.754 flat angles C4'-P-C4' energy: -109.508 flat angles P-C4'-P energy: -67.726 tors. eta vs tors. theta energy: -133.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1527.056497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.056497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.056497 (E_RNA) where: Base-Base interactions energy: -1098.104 where: short stacking energy: -421.509 Base-Backbone interact. energy: -0.219 local terms energy: -428.732679 where: bonds (distance) C4'-P energy: -78.405 bonds (distance) P-C4' energy: -95.882 flat angles C4'-P-C4' energy: -86.430 flat angles P-C4'-P energy: -56.065 tors. eta vs tors. theta energy: -111.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1428.673619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.673619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.673619 (E_RNA) where: Base-Base interactions energy: -988.113 where: short stacking energy: -419.451 Base-Backbone interact. energy: 0.770 local terms energy: -441.330874 where: bonds (distance) C4'-P energy: -83.495 bonds (distance) P-C4' energy: -87.125 flat angles C4'-P-C4' energy: -100.046 flat angles P-C4'-P energy: -63.257 tors. eta vs tors. theta energy: -107.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1245.061500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.061500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.061500 (E_RNA) where: Base-Base interactions energy: -840.646 where: short stacking energy: -366.165 Base-Backbone interact. energy: -0.081 local terms energy: -404.334274 where: bonds (distance) C4'-P energy: -77.271 bonds (distance) P-C4' energy: -81.848 flat angles C4'-P-C4' energy: -94.363 flat angles P-C4'-P energy: -50.405 tors. eta vs tors. theta energy: -100.447 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: 10 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1120.211176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.211176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.211176 (E_RNA) where: Base-Base interactions energy: -764.164 where: short stacking energy: -332.850 Base-Backbone interact. energy: -2.347 local terms energy: -353.700631 where: bonds (distance) C4'-P energy: -67.547 bonds (distance) P-C4' energy: -78.723 flat angles C4'-P-C4' energy: -81.235 flat angles P-C4'-P energy: -54.918 tors. eta vs tors. theta energy: -71.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -1039.880997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.880997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.880997 (E_RNA) where: Base-Base interactions energy: -698.493 where: short stacking energy: -309.421 Base-Backbone interact. energy: -2.477 local terms energy: -338.911102 where: bonds (distance) C4'-P energy: -51.126 bonds (distance) P-C4' energy: -76.314 flat angles C4'-P-C4' energy: -83.740 flat angles P-C4'-P energy: -53.658 tors. eta vs tors. theta energy: -74.073 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: 195 Temperature: 1.350000 Total energy: -811.496470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.496470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.496470 (E_RNA) where: Base-Base interactions energy: -539.330 where: short stacking energy: -233.818 Base-Backbone interact. energy: 2.468 local terms energy: -274.634600 where: bonds (distance) C4'-P energy: -57.942 bonds (distance) P-C4' energy: -74.878 flat angles C4'-P-C4' energy: -70.411 flat angles P-C4'-P energy: -33.779 tors. eta vs tors. theta energy: -37.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1809.762909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.762909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.762909 (E_RNA) where: Base-Base interactions energy: -1265.452 where: short stacking energy: -539.740 Base-Backbone interact. energy: 0.524 local terms energy: -544.835017 where: bonds (distance) C4'-P energy: -93.555 bonds (distance) P-C4' energy: -93.550 flat angles C4'-P-C4' energy: -116.466 flat angles P-C4'-P energy: -74.327 tors. eta vs tors. theta energy: -166.937 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: 1 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1815.878971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.878971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.878971 (E_RNA) where: Base-Base interactions energy: -1294.310 where: short stacking energy: -507.546 Base-Backbone interact. energy: -4.627 local terms energy: -516.941916 where: bonds (distance) C4'-P energy: -85.309 bonds (distance) P-C4' energy: -88.869 flat angles C4'-P-C4' energy: -112.681 flat angles P-C4'-P energy: -68.631 tors. eta vs tors. theta energy: -161.451 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: 5 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1705.280011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.280011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.280011 (E_RNA) where: Base-Base interactions energy: -1175.899 where: short stacking energy: -499.766 Base-Backbone interact. energy: -0.766 local terms energy: -528.614879 where: bonds (distance) C4'-P energy: -95.573 bonds (distance) P-C4' energy: -91.164 flat angles C4'-P-C4' energy: -110.228 flat angles P-C4'-P energy: -75.368 tors. eta vs tors. theta energy: -156.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1633.018964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.018964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.018964 (E_RNA) where: Base-Base interactions energy: -1171.499 where: short stacking energy: -460.632 Base-Backbone interact. energy: -1.320 local terms energy: -460.199954 where: bonds (distance) C4'-P energy: -71.743 bonds (distance) P-C4' energy: -78.711 flat angles C4'-P-C4' energy: -106.597 flat angles P-C4'-P energy: -72.173 tors. eta vs tors. theta energy: -130.975 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: 4 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -1537.659678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.659678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.659678 (E_RNA) where: Base-Base interactions energy: -1074.068 where: short stacking energy: -394.645 Base-Backbone interact. energy: -1.359 local terms energy: -462.232857 where: bonds (distance) C4'-P energy: -81.985 bonds (distance) P-C4' energy: -87.938 flat angles C4'-P-C4' energy: -111.310 flat angles P-C4'-P energy: -65.108 tors. eta vs tors. theta energy: -115.892 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: 9 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1427.853469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.853469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.853469 (E_RNA) where: Base-Base interactions energy: -993.364 where: short stacking energy: -403.492 Base-Backbone interact. energy: -3.502 local terms energy: -430.988013 where: bonds (distance) C4'-P energy: -88.976 bonds (distance) P-C4' energy: -78.000 flat angles C4'-P-C4' energy: -91.175 flat angles P-C4'-P energy: -63.998 tors. eta vs tors. theta energy: -108.838 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: 2 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1245.161550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.161550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.161550 (E_RNA) where: Base-Base interactions energy: -813.475 where: short stacking energy: -345.298 Base-Backbone interact. energy: -1.287 local terms energy: -430.398631 where: bonds (distance) C4'-P energy: -73.195 bonds (distance) P-C4' energy: -86.984 flat angles C4'-P-C4' energy: -108.189 flat angles P-C4'-P energy: -65.240 tors. eta vs tors. theta energy: -96.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1142.448411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.448411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.448411 (E_RNA) where: Base-Base interactions energy: -736.975 where: short stacking energy: -306.005 Base-Backbone interact. energy: 0.018 local terms energy: -405.491865 where: bonds (distance) C4'-P energy: -100.528 bonds (distance) P-C4' energy: -77.798 flat angles C4'-P-C4' energy: -91.745 flat angles P-C4'-P energy: -58.331 tors. eta vs tors. theta energy: -77.090 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: 8 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -1015.107409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.107409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.107409 (E_RNA) where: Base-Base interactions energy: -628.678 where: short stacking energy: -282.359 Base-Backbone interact. energy: -1.920 local terms energy: -384.508651 where: bonds (distance) C4'-P energy: -86.857 bonds (distance) P-C4' energy: -80.033 flat angles C4'-P-C4' energy: -82.910 flat angles P-C4'-P energy: -62.872 tors. eta vs tors. theta energy: -71.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -852.155320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.155320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.155320 (E_RNA) where: Base-Base interactions energy: -540.650 where: short stacking energy: -238.581 Base-Backbone interact. energy: 0.800 local terms energy: -312.305829 where: bonds (distance) C4'-P energy: -72.492 bonds (distance) P-C4' energy: -84.874 flat angles C4'-P-C4' energy: -65.958 flat angles P-C4'-P energy: -40.757 tors. eta vs tors. theta energy: -48.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1831.605358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.605358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.605358 (E_RNA) where: Base-Base interactions energy: -1286.260 where: short stacking energy: -524.958 Base-Backbone interact. energy: -1.480 local terms energy: -543.864802 where: bonds (distance) C4'-P energy: -101.713 bonds (distance) P-C4' energy: -85.354 flat angles C4'-P-C4' energy: -116.964 flat angles P-C4'-P energy: -74.115 tors. eta vs tors. theta energy: -165.719 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: 1 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1808.665143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.665143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.665143 (E_RNA) where: Base-Base interactions energy: -1287.412 where: short stacking energy: -512.030 Base-Backbone interact. energy: -4.279 local terms energy: -516.974020 where: bonds (distance) C4'-P energy: -79.120 bonds (distance) P-C4' energy: -93.275 flat angles C4'-P-C4' energy: -112.406 flat angles P-C4'-P energy: -76.327 tors. eta vs tors. theta energy: -155.846 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: 5 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1703.983651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.983651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.983651 (E_RNA) where: Base-Base interactions energy: -1179.456 where: short stacking energy: -485.095 Base-Backbone interact. energy: -1.360 local terms energy: -523.167506 where: bonds (distance) C4'-P energy: -93.215 bonds (distance) P-C4' energy: -93.747 flat angles C4'-P-C4' energy: -103.835 flat angles P-C4'-P energy: -77.557 tors. eta vs tors. theta energy: -154.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1664.705373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.705373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.705373 (E_RNA) where: Base-Base interactions energy: -1154.816 where: short stacking energy: -463.501 Base-Backbone interact. energy: -2.154 local terms energy: -507.734858 where: bonds (distance) C4'-P energy: -88.351 bonds (distance) P-C4' energy: -103.720 flat angles C4'-P-C4' energy: -106.513 flat angles P-C4'-P energy: -67.928 tors. eta vs tors. theta energy: -141.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1558.176142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.176142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.176142 (E_RNA) where: Base-Base interactions energy: -1109.977 where: short stacking energy: -425.373 Base-Backbone interact. energy: 1.479 local terms energy: -449.679002 where: bonds (distance) C4'-P energy: -76.642 bonds (distance) P-C4' energy: -86.697 flat angles C4'-P-C4' energy: -102.693 flat angles P-C4'-P energy: -61.535 tors. eta vs tors. theta energy: -122.112 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: 9 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1427.627372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.627372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.627372 (E_RNA) where: Base-Base interactions energy: -981.581 where: short stacking energy: -419.457 Base-Backbone interact. energy: 0.745 local terms energy: -446.792030 where: bonds (distance) C4'-P energy: -73.302 bonds (distance) P-C4' energy: -77.102 flat angles C4'-P-C4' energy: -94.777 flat angles P-C4'-P energy: -72.013 tors. eta vs tors. theta energy: -129.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1247.486783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.486783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.486783 (E_RNA) where: Base-Base interactions energy: -843.177 where: short stacking energy: -373.025 Base-Backbone interact. energy: -0.309 local terms energy: -404.000933 where: bonds (distance) C4'-P energy: -67.654 bonds (distance) P-C4' energy: -79.618 flat angles C4'-P-C4' energy: -80.673 flat angles P-C4'-P energy: -62.641 tors. eta vs tors. theta energy: -113.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1189.753305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.753305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.753305 (E_RNA) where: Base-Base interactions energy: -805.002 where: short stacking energy: -329.576 Base-Backbone interact. energy: 2.861 local terms energy: -387.612743 where: bonds (distance) C4'-P energy: -72.159 bonds (distance) P-C4' energy: -84.831 flat angles C4'-P-C4' energy: -92.381 flat angles P-C4'-P energy: -50.663 tors. eta vs tors. theta energy: -87.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -1002.328011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.328011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.328011 (E_RNA) where: Base-Base interactions energy: -644.577 where: short stacking energy: -278.106 Base-Backbone interact. energy: 2.168 local terms energy: -359.919056 where: bonds (distance) C4'-P energy: -74.925 bonds (distance) P-C4' energy: -84.259 flat angles C4'-P-C4' energy: -89.529 flat angles P-C4'-P energy: -56.291 tors. eta vs tors. theta energy: -54.915 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: 7 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -789.274986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.274986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.274986 (E_RNA) where: Base-Base interactions energy: -469.130 where: short stacking energy: -209.249 Base-Backbone interact. energy: 8.417 local terms energy: -328.561780 where: bonds (distance) C4'-P energy: -77.645 bonds (distance) P-C4' energy: -82.621 flat angles C4'-P-C4' energy: -84.811 flat angles P-C4'-P energy: -46.097 tors. eta vs tors. theta energy: -37.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1842.789203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.789203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.789203 (E_RNA) where: Base-Base interactions energy: -1281.534 where: short stacking energy: -543.502 Base-Backbone interact. energy: -0.725 local terms energy: -560.530668 where: bonds (distance) C4'-P energy: -98.632 bonds (distance) P-C4' energy: -94.689 flat angles C4'-P-C4' energy: -117.608 flat angles P-C4'-P energy: -81.894 tors. eta vs tors. theta energy: -167.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -1785.646583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.646583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.646583 (E_RNA) where: Base-Base interactions energy: -1275.353 where: short stacking energy: -502.676 Base-Backbone interact. energy: -0.772 local terms energy: -509.521428 where: bonds (distance) C4'-P energy: -96.952 bonds (distance) P-C4' energy: -88.453 flat angles C4'-P-C4' energy: -102.616 flat angles P-C4'-P energy: -70.642 tors. eta vs tors. theta energy: -150.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1705.086762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.086762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.086762 (E_RNA) where: Base-Base interactions energy: -1167.651 where: short stacking energy: -470.387 Base-Backbone interact. energy: -0.597 local terms energy: -536.838458 where: bonds (distance) C4'-P energy: -101.700 bonds (distance) P-C4' energy: -104.481 flat angles C4'-P-C4' energy: -101.824 flat angles P-C4'-P energy: -81.960 tors. eta vs tors. theta energy: -146.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1665.106823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.106823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.106823 (E_RNA) where: Base-Base interactions energy: -1146.305 where: short stacking energy: -464.051 Base-Backbone interact. energy: -1.511 local terms energy: -517.290659 where: bonds (distance) C4'-P energy: -91.347 bonds (distance) P-C4' energy: -97.827 flat angles C4'-P-C4' energy: -107.892 flat angles P-C4'-P energy: -74.911 tors. eta vs tors. theta energy: -145.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -1527.343117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.343117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.343117 (E_RNA) where: Base-Base interactions energy: -1096.026 where: short stacking energy: -413.078 Base-Backbone interact. energy: 5.244 local terms energy: -436.560751 where: bonds (distance) C4'-P energy: -67.972 bonds (distance) P-C4' energy: -86.379 flat angles C4'-P-C4' energy: -103.539 flat angles P-C4'-P energy: -66.690 tors. eta vs tors. theta energy: -111.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -1437.568259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.568259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.568259 (E_RNA) where: Base-Base interactions energy: -978.845 where: short stacking energy: -408.901 Base-Backbone interact. energy: -1.893 local terms energy: -456.829762 where: bonds (distance) C4'-P energy: -86.334 bonds (distance) P-C4' energy: -88.309 flat angles C4'-P-C4' energy: -105.806 flat angles P-C4'-P energy: -60.507 tors. eta vs tors. theta energy: -115.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1256.662233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.662233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.662233 (E_RNA) where: Base-Base interactions energy: -856.816 where: short stacking energy: -371.375 Base-Backbone interact. energy: -0.974 local terms energy: -398.872185 where: bonds (distance) C4'-P energy: -73.381 bonds (distance) P-C4' energy: -72.706 flat angles C4'-P-C4' energy: -78.891 flat angles P-C4'-P energy: -62.931 tors. eta vs tors. theta energy: -110.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1171.141855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.141855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.141855 (E_RNA) where: Base-Base interactions energy: -778.644 where: short stacking energy: -326.536 Base-Backbone interact. energy: 0.151 local terms energy: -392.648277 where: bonds (distance) C4'-P energy: -68.485 bonds (distance) P-C4' energy: -94.597 flat angles C4'-P-C4' energy: -79.225 flat angles P-C4'-P energy: -59.405 tors. eta vs tors. theta energy: -90.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -1002.760019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.760019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.760019 (E_RNA) where: Base-Base interactions energy: -662.612 where: short stacking energy: -281.763 Base-Backbone interact. energy: -0.065 local terms energy: -340.082304 where: bonds (distance) C4'-P energy: -69.422 bonds (distance) P-C4' energy: -70.638 flat angles C4'-P-C4' energy: -83.771 flat angles P-C4'-P energy: -44.344 tors. eta vs tors. theta energy: -71.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -844.976140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.976140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.976140 (E_RNA) where: Base-Base interactions energy: -501.866 where: short stacking energy: -209.622 Base-Backbone interact. energy: 1.857 local terms energy: -344.967538 where: bonds (distance) C4'-P energy: -77.286 bonds (distance) P-C4' energy: -90.428 flat angles C4'-P-C4' energy: -82.885 flat angles P-C4'-P energy: -53.273 tors. eta vs tors. theta energy: -41.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1846.941324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.941324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.941324 (E_RNA) where: Base-Base interactions energy: -1294.232 where: short stacking energy: -534.985 Base-Backbone interact. energy: -2.472 local terms energy: -550.236920 where: bonds (distance) C4'-P energy: -90.843 bonds (distance) P-C4' energy: -101.175 flat angles C4'-P-C4' energy: -110.621 flat angles P-C4'-P energy: -85.253 tors. eta vs tors. theta energy: -162.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1795.945090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.945090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.945090 (E_RNA) where: Base-Base interactions energy: -1274.851 where: short stacking energy: -507.652 Base-Backbone interact. energy: -4.107 local terms energy: -516.986871 where: bonds (distance) C4'-P energy: -90.331 bonds (distance) P-C4' energy: -91.069 flat angles C4'-P-C4' energy: -109.537 flat angles P-C4'-P energy: -70.102 tors. eta vs tors. theta energy: -155.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1705.166962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.166962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.166962 (E_RNA) where: Base-Base interactions energy: -1211.804 where: short stacking energy: -486.575 Base-Backbone interact. energy: 0.032 local terms energy: -493.394742 where: bonds (distance) C4'-P energy: -86.111 bonds (distance) P-C4' energy: -88.060 flat angles C4'-P-C4' energy: -110.285 flat angles P-C4'-P energy: -66.528 tors. eta vs tors. theta energy: -142.412 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: 4, replica: 6 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -1670.899250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.899250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.899250 (E_RNA) where: Base-Base interactions energy: -1181.383 where: short stacking energy: -463.471 Base-Backbone interact. energy: 1.994 local terms energy: -491.510384 where: bonds (distance) C4'-P energy: -83.581 bonds (distance) P-C4' energy: -84.557 flat angles C4'-P-C4' energy: -104.678 flat angles P-C4'-P energy: -72.039 tors. eta vs tors. theta energy: -146.656 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: 4 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -1541.425592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.425592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.425592 (E_RNA) where: Base-Base interactions energy: -1091.701 where: short stacking energy: -434.389 Base-Backbone interact. energy: 2.199 local terms energy: -451.923972 where: bonds (distance) C4'-P energy: -80.367 bonds (distance) P-C4' energy: -92.230 flat angles C4'-P-C4' energy: -86.589 flat angles P-C4'-P energy: -66.090 tors. eta vs tors. theta energy: -126.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -1433.183855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.183855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.183855 (E_RNA) where: Base-Base interactions energy: -996.775 where: short stacking energy: -407.992 Base-Backbone interact. energy: -1.595 local terms energy: -434.814064 where: bonds (distance) C4'-P energy: -87.453 bonds (distance) P-C4' energy: -77.352 flat angles C4'-P-C4' energy: -97.363 flat angles P-C4'-P energy: -60.714 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: 7, replica: 2 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1255.267486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.267486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.267486 (E_RNA) where: Base-Base interactions energy: -844.203 where: short stacking energy: -376.423 Base-Backbone interact. energy: 1.353 local terms energy: -412.417507 where: bonds (distance) C4'-P energy: -69.882 bonds (distance) P-C4' energy: -79.343 flat angles C4'-P-C4' energy: -87.355 flat angles P-C4'-P energy: -68.328 tors. eta vs tors. theta energy: -107.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1174.044342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.044342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.044342 (E_RNA) where: Base-Base interactions energy: -789.623 where: short stacking energy: -340.619 Base-Backbone interact. energy: -0.932 local terms energy: -383.489452 where: bonds (distance) C4'-P energy: -78.830 bonds (distance) P-C4' energy: -87.439 flat angles C4'-P-C4' energy: -82.125 flat angles P-C4'-P energy: -49.518 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: 9, replica: 8 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -1014.648048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.648048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.648048 (E_RNA) where: Base-Base interactions energy: -660.610 where: short stacking energy: -292.231 Base-Backbone interact. energy: -0.645 local terms energy: -353.392972 where: bonds (distance) C4'-P energy: -88.505 bonds (distance) P-C4' energy: -67.848 flat angles C4'-P-C4' energy: -93.218 flat angles P-C4'-P energy: -35.395 tors. eta vs tors. theta energy: -68.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -814.296475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.296475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.296475 (E_RNA) where: Base-Base interactions energy: -488.984 where: short stacking energy: -213.011 Base-Backbone interact. energy: 0.406 local terms energy: -325.718203 where: bonds (distance) C4'-P energy: -80.178 bonds (distance) P-C4' energy: -78.812 flat angles C4'-P-C4' energy: -81.567 flat angles P-C4'-P energy: -55.001 tors. eta vs tors. theta energy: -30.160 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: 3 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1819.245976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.245976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.245976 (E_RNA) where: Base-Base interactions energy: -1272.428 where: short stacking energy: -517.605 Base-Backbone interact. energy: 0.921 local terms energy: -547.738820 where: bonds (distance) C4'-P energy: -89.646 bonds (distance) P-C4' energy: -98.540 flat angles C4'-P-C4' energy: -114.635 flat angles P-C4'-P energy: -83.076 tors. eta vs tors. theta energy: -161.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1807.833859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.833859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.833859 (E_RNA) where: Base-Base interactions energy: -1253.988 where: short stacking energy: -510.542 Base-Backbone interact. energy: -3.253 local terms energy: -550.593434 where: bonds (distance) C4'-P energy: -98.160 bonds (distance) P-C4' energy: -99.437 flat angles C4'-P-C4' energy: -113.458 flat angles P-C4'-P energy: -82.751 tors. eta vs tors. theta energy: -156.786 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: 5 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1721.293006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.293006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.293006 (E_RNA) where: Base-Base interactions energy: -1204.296 where: short stacking energy: -500.999 Base-Backbone interact. energy: -0.546 local terms energy: -516.451477 where: bonds (distance) C4'-P energy: -93.110 bonds (distance) P-C4' energy: -92.198 flat angles C4'-P-C4' energy: -107.907 flat angles P-C4'-P energy: -71.342 tors. eta vs tors. theta energy: -151.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1666.875520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.875520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.875520 (E_RNA) where: Base-Base interactions energy: -1174.432 where: short stacking energy: -442.024 Base-Backbone interact. energy: -1.879 local terms energy: -490.564428 where: bonds (distance) C4'-P energy: -85.021 bonds (distance) P-C4' energy: -86.106 flat angles C4'-P-C4' energy: -104.012 flat angles P-C4'-P energy: -75.564 tors. eta vs tors. theta energy: -139.862 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: 9 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1543.941681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.941681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.941681 (E_RNA) where: Base-Base interactions energy: -1082.902 where: short stacking energy: -449.617 Base-Backbone interact. energy: 1.303 local terms energy: -462.343050 where: bonds (distance) C4'-P energy: -83.336 bonds (distance) P-C4' energy: -80.290 flat angles C4'-P-C4' energy: -111.623 flat angles P-C4'-P energy: -56.428 tors. eta vs tors. theta energy: -130.667 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: 4 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1448.028062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.028062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.028062 (E_RNA) where: Base-Base interactions energy: -1004.237 where: short stacking energy: -380.849 Base-Backbone interact. energy: -2.307 local terms energy: -441.483871 where: bonds (distance) C4'-P energy: -76.597 bonds (distance) P-C4' energy: -74.490 flat angles C4'-P-C4' energy: -98.360 flat angles P-C4'-P energy: -73.106 tors. eta vs tors. theta energy: -118.931 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: 7, replica: 2 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1271.055084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.055084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.055084 (E_RNA) where: Base-Base interactions energy: -829.984 where: short stacking energy: -362.429 Base-Backbone interact. energy: 2.666 local terms energy: -443.736608 where: bonds (distance) C4'-P energy: -76.827 bonds (distance) P-C4' energy: -87.960 flat angles C4'-P-C4' energy: -97.996 flat angles P-C4'-P energy: -60.649 tors. eta vs tors. theta energy: -120.305 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: 8, replica: 10 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1137.581152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.581152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.581152 (E_RNA) where: Base-Base interactions energy: -761.155 where: short stacking energy: -307.690 Base-Backbone interact. energy: -2.204 local terms energy: -374.222329 where: bonds (distance) C4'-P energy: -75.045 bonds (distance) P-C4' energy: -81.966 flat angles C4'-P-C4' energy: -88.236 flat angles P-C4'-P energy: -56.810 tors. eta vs tors. theta energy: -72.166 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: 8 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -1004.879235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.879235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.879235 (E_RNA) where: Base-Base interactions energy: -664.872 where: short stacking energy: -300.844 Base-Backbone interact. energy: 1.881 local terms energy: -341.888109 where: bonds (distance) C4'-P energy: -76.206 bonds (distance) P-C4' energy: -68.142 flat angles C4'-P-C4' energy: -87.003 flat angles P-C4'-P energy: -45.269 tors. eta vs tors. theta energy: -65.268 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: 10, replica: 7 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -849.386299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.386299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.386299 (E_RNA) where: Base-Base interactions energy: -545.096 where: short stacking energy: -237.294 Base-Backbone interact. energy: -0.325 local terms energy: -303.964959 where: bonds (distance) C4'-P energy: -68.948 bonds (distance) P-C4' energy: -84.081 flat angles C4'-P-C4' energy: -77.841 flat angles P-C4'-P energy: -30.686 tors. eta vs tors. theta energy: -42.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1839.839808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.839808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.839808 (E_RNA) where: Base-Base interactions energy: -1289.931 where: short stacking energy: -540.636 Base-Backbone interact. energy: -1.370 local terms energy: -548.538534 where: bonds (distance) C4'-P energy: -84.833 bonds (distance) P-C4' energy: -93.994 flat angles C4'-P-C4' energy: -117.966 flat angles P-C4'-P energy: -80.471 tors. eta vs tors. theta energy: -171.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1761.529589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.529589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.529589 (E_RNA) where: Base-Base interactions energy: -1262.613 where: short stacking energy: -497.611 Base-Backbone interact. energy: -0.388 local terms energy: -498.528543 where: bonds (distance) C4'-P energy: -88.496 bonds (distance) P-C4' energy: -90.617 flat angles C4'-P-C4' energy: -101.791 flat angles P-C4'-P energy: -75.852 tors. eta vs tors. theta energy: -141.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1719.892424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.892424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.892424 (E_RNA) where: Base-Base interactions energy: -1200.918 where: short stacking energy: -480.556 Base-Backbone interact. energy: -1.214 local terms energy: -517.760843 where: bonds (distance) C4'-P energy: -83.817 bonds (distance) P-C4' energy: -86.571 flat angles C4'-P-C4' energy: -105.879 flat angles P-C4'-P energy: -81.213 tors. eta vs tors. theta energy: -160.280 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: 6 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1652.478364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.478364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.478364 (E_RNA) where: Base-Base interactions energy: -1175.417 where: short stacking energy: -436.649 Base-Backbone interact. energy: -2.378 local terms energy: -474.684171 where: bonds (distance) C4'-P energy: -84.900 bonds (distance) P-C4' energy: -88.424 flat angles C4'-P-C4' energy: -102.309 flat angles P-C4'-P energy: -68.334 tors. eta vs tors. theta energy: -130.717 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: 9 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1538.324642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.324642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.324642 (E_RNA) where: Base-Base interactions energy: -1062.148 where: short stacking energy: -431.996 Base-Backbone interact. energy: -1.242 local terms energy: -474.934548 where: bonds (distance) C4'-P energy: -85.870 bonds (distance) P-C4' energy: -88.518 flat angles C4'-P-C4' energy: -101.649 flat angles P-C4'-P energy: -71.187 tors. eta vs tors. theta energy: -127.711 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: 201 Temperature: 1.150000 Total energy: -1480.632752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.632752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.632752 (E_RNA) where: Base-Base interactions energy: -1042.224 where: short stacking energy: -411.504 Base-Backbone interact. energy: -1.072 local terms energy: -437.336559 where: bonds (distance) C4'-P energy: -82.867 bonds (distance) P-C4' energy: -83.057 flat angles C4'-P-C4' energy: -93.824 flat angles P-C4'-P energy: -60.595 tors. eta vs tors. theta energy: -116.994 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: 2 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1184.600787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.600787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.600787 (E_RNA) where: Base-Base interactions energy: -782.160 where: short stacking energy: -324.215 Base-Backbone interact. energy: -1.094 local terms energy: -401.346557 where: bonds (distance) C4'-P energy: -76.367 bonds (distance) P-C4' energy: -82.149 flat angles C4'-P-C4' energy: -81.316 flat angles P-C4'-P energy: -70.109 tors. eta vs tors. theta energy: -91.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1136.411720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.411720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.411720 (E_RNA) where: Base-Base interactions energy: -756.314 where: short stacking energy: -313.394 Base-Backbone interact. energy: 0.708 local terms energy: -380.806043 where: bonds (distance) C4'-P energy: -88.220 bonds (distance) P-C4' energy: -70.199 flat angles C4'-P-C4' energy: -88.913 flat angles P-C4'-P energy: -60.118 tors. eta vs tors. theta energy: -73.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -1006.086394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.086394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.086394 (E_RNA) where: Base-Base interactions energy: -657.722 where: short stacking energy: -282.427 Base-Backbone interact. energy: 0.898 local terms energy: -349.262557 where: bonds (distance) C4'-P energy: -80.795 bonds (distance) P-C4' energy: -71.089 flat angles C4'-P-C4' energy: -79.937 flat angles P-C4'-P energy: -49.680 tors. eta vs tors. theta energy: -67.761 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: 10, replica: 7 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -856.118548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.118548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.118548 (E_RNA) where: Base-Base interactions energy: -556.981 where: short stacking energy: -246.125 Base-Backbone interact. energy: 2.464 local terms energy: -301.601771 where: bonds (distance) C4'-P energy: -75.232 bonds (distance) P-C4' energy: -77.943 flat angles C4'-P-C4' energy: -57.096 flat angles P-C4'-P energy: -43.663 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: 1, replica: 3 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1834.383664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.383664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.383664 (E_RNA) where: Base-Base interactions energy: -1279.245 where: short stacking energy: -523.879 Base-Backbone interact. energy: 0.222 local terms energy: -555.360689 where: bonds (distance) C4'-P energy: -100.897 bonds (distance) P-C4' energy: -94.990 flat angles C4'-P-C4' energy: -110.123 flat angles P-C4'-P energy: -83.602 tors. eta vs tors. theta energy: -165.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1761.584466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.584466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.584466 (E_RNA) where: Base-Base interactions energy: -1224.849 where: short stacking energy: -464.129 Base-Backbone interact. energy: -1.493 local terms energy: -535.241954 where: bonds (distance) C4'-P energy: -90.616 bonds (distance) P-C4' energy: -106.323 flat angles C4'-P-C4' energy: -112.131 flat angles P-C4'-P energy: -75.350 tors. eta vs tors. theta energy: -150.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1717.447951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.447951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.447951 (E_RNA) where: Base-Base interactions energy: -1198.387 where: short stacking energy: -489.459 Base-Backbone interact. energy: -2.848 local terms energy: -516.213535 where: bonds (distance) C4'-P energy: -100.598 bonds (distance) P-C4' energy: -84.223 flat angles C4'-P-C4' energy: -112.214 flat angles P-C4'-P energy: -68.782 tors. eta vs tors. theta energy: -150.396 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: 6 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1651.995875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.995875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.995875 (E_RNA) where: Base-Base interactions energy: -1152.413 where: short stacking energy: -463.772 Base-Backbone interact. energy: -2.331 local terms energy: -497.251863 where: bonds (distance) C4'-P energy: -95.156 bonds (distance) P-C4' energy: -91.741 flat angles C4'-P-C4' energy: -97.838 flat angles P-C4'-P energy: -73.669 tors. eta vs tors. theta energy: -138.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -1544.005740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.005740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.005740 (E_RNA) where: Base-Base interactions energy: -1067.833 where: short stacking energy: -426.623 Base-Backbone interact. energy: -1.518 local terms energy: -474.655184 where: bonds (distance) C4'-P energy: -92.406 bonds (distance) P-C4' energy: -91.496 flat angles C4'-P-C4' energy: -96.745 flat angles P-C4'-P energy: -64.706 tors. eta vs tors. theta energy: -129.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1527.650665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.650665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.650665 (E_RNA) where: Base-Base interactions energy: -1082.020 where: short stacking energy: -414.010 Base-Backbone interact. energy: 1.075 local terms energy: -446.705754 where: bonds (distance) C4'-P energy: -88.775 bonds (distance) P-C4' energy: -78.950 flat angles C4'-P-C4' energy: -97.678 flat angles P-C4'-P energy: -58.474 tors. eta vs tors. theta energy: -122.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1236.386648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.386648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.386648 (E_RNA) where: Base-Base interactions energy: -823.377 where: short stacking energy: -342.558 Base-Backbone interact. energy: -1.448 local terms energy: -411.560977 where: bonds (distance) C4'-P energy: -85.625 bonds (distance) P-C4' energy: -90.594 flat angles C4'-P-C4' energy: -79.453 flat angles P-C4'-P energy: -67.762 tors. eta vs tors. theta energy: -88.126 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: 10 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1104.556403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.556403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.556403 (E_RNA) where: Base-Base interactions energy: -717.670 where: short stacking energy: -304.225 Base-Backbone interact. energy: -1.371 local terms energy: -385.515407 where: bonds (distance) C4'-P energy: -71.756 bonds (distance) P-C4' energy: -82.200 flat angles C4'-P-C4' energy: -92.410 flat angles P-C4'-P energy: -54.976 tors. eta vs tors. theta energy: -84.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -1024.623450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.623450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.623450 (E_RNA) where: Base-Base interactions energy: -674.122 where: short stacking energy: -299.471 Base-Backbone interact. energy: 7.365 local terms energy: -357.866572 where: bonds (distance) C4'-P energy: -77.481 bonds (distance) P-C4' energy: -75.529 flat angles C4'-P-C4' energy: -83.946 flat angles P-C4'-P energy: -57.324 tors. eta vs tors. theta energy: -63.587 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: 202 Temperature: 1.350000 Total energy: -802.396350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.396350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.396350 (E_RNA) where: Base-Base interactions energy: -503.869 where: short stacking energy: -216.813 Base-Backbone interact. energy: 1.281 local terms energy: -299.808357 where: bonds (distance) C4'-P energy: -73.811 bonds (distance) P-C4' energy: -83.081 flat angles C4'-P-C4' energy: -67.862 flat angles P-C4'-P energy: -44.428 tors. eta vs tors. theta energy: -30.627 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: 3 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1820.614301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.614301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.614301 (E_RNA) where: Base-Base interactions energy: -1269.409 where: short stacking energy: -524.195 Base-Backbone interact. energy: -0.825 local terms energy: -550.380644 where: bonds (distance) C4'-P energy: -88.347 bonds (distance) P-C4' energy: -101.595 flat angles C4'-P-C4' energy: -113.169 flat angles P-C4'-P energy: -83.433 tors. eta vs tors. theta energy: -163.836 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: 1 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1781.062732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.062732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.062732 (E_RNA) where: Base-Base interactions energy: -1257.512 where: short stacking energy: -487.119 Base-Backbone interact. energy: -1.274 local terms energy: -522.276674 where: bonds (distance) C4'-P energy: -94.963 bonds (distance) P-C4' energy: -99.615 flat angles C4'-P-C4' energy: -103.422 flat angles P-C4'-P energy: -75.726 tors. eta vs tors. theta energy: -148.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1719.192779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.192779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.192779 (E_RNA) where: Base-Base interactions energy: -1218.210 where: short stacking energy: -481.780 Base-Backbone interact. energy: -0.746 local terms energy: -500.236669 where: bonds (distance) C4'-P energy: -79.581 bonds (distance) P-C4' energy: -87.181 flat angles C4'-P-C4' energy: -110.763 flat angles P-C4'-P energy: -72.164 tors. eta vs tors. theta energy: -150.547 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: 6 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -1622.805583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.805583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.805583 (E_RNA) where: Base-Base interactions energy: -1165.107 where: short stacking energy: -452.708 Base-Backbone interact. energy: -1.481 local terms energy: -456.216954 where: bonds (distance) C4'-P energy: -77.651 bonds (distance) P-C4' energy: -78.294 flat angles C4'-P-C4' energy: -100.471 flat angles P-C4'-P energy: -60.373 tors. eta vs tors. theta energy: -139.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -1549.512730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.512730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.512730 (E_RNA) where: Base-Base interactions energy: -1074.029 where: short stacking energy: -422.070 Base-Backbone interact. energy: -2.758 local terms energy: -472.725392 where: bonds (distance) C4'-P energy: -91.364 bonds (distance) P-C4' energy: -78.752 flat angles C4'-P-C4' energy: -105.132 flat angles P-C4'-P energy: -68.828 tors. eta vs tors. theta energy: -128.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1477.914804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.914804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.914804 (E_RNA) where: Base-Base interactions energy: -1020.827 where: short stacking energy: -403.796 Base-Backbone interact. energy: 0.489 local terms energy: -457.575958 where: bonds (distance) C4'-P energy: -85.732 bonds (distance) P-C4' energy: -85.275 flat angles C4'-P-C4' energy: -107.491 flat angles P-C4'-P energy: -69.510 tors. eta vs tors. theta energy: -109.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1213.291467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.291467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.291467 (E_RNA) where: Base-Base interactions energy: -805.950 where: short stacking energy: -353.060 Base-Backbone interact. energy: 2.119 local terms energy: -409.460311 where: bonds (distance) C4'-P energy: -72.862 bonds (distance) P-C4' energy: -79.496 flat angles C4'-P-C4' energy: -94.203 flat angles P-C4'-P energy: -58.318 tors. eta vs tors. theta energy: -104.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1117.443330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.443330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.443330 (E_RNA) where: Base-Base interactions energy: -724.180 where: short stacking energy: -305.755 Base-Backbone interact. energy: -0.501 local terms energy: -392.762027 where: bonds (distance) C4'-P energy: -77.299 bonds (distance) P-C4' energy: -85.361 flat angles C4'-P-C4' energy: -96.031 flat angles P-C4'-P energy: -58.602 tors. eta vs tors. theta energy: -75.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -978.863088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.863088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.863088 (E_RNA) where: Base-Base interactions energy: -618.711 where: short stacking energy: -265.821 Base-Backbone interact. energy: 1.554 local terms energy: -361.706322 where: bonds (distance) C4'-P energy: -92.626 bonds (distance) P-C4' energy: -73.417 flat angles C4'-P-C4' energy: -86.352 flat angles P-C4'-P energy: -51.503 tors. eta vs tors. theta energy: -57.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -753.389118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.389118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.389118 (E_RNA) where: Base-Base interactions energy: -433.565 where: short stacking energy: -206.839 Base-Backbone interact. energy: 1.809 local terms energy: -321.633095 where: bonds (distance) C4'-P energy: -85.899 bonds (distance) P-C4' energy: -79.750 flat angles C4'-P-C4' energy: -88.860 flat angles P-C4'-P energy: -49.729 tors. eta vs tors. theta energy: -17.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1834.866041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.866041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.866041 (E_RNA) where: Base-Base interactions energy: -1295.558 where: short stacking energy: -525.836 Base-Backbone interact. energy: -0.717 local terms energy: -538.591034 where: bonds (distance) C4'-P energy: -94.026 bonds (distance) P-C4' energy: -99.039 flat angles C4'-P-C4' energy: -108.314 flat angles P-C4'-P energy: -76.772 tors. eta vs tors. theta energy: -160.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1804.544276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.544276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.544276 (E_RNA) where: Base-Base interactions energy: -1259.656 where: short stacking energy: -528.221 Base-Backbone interact. energy: 1.645 local terms energy: -546.532469 where: bonds (distance) C4'-P energy: -95.666 bonds (distance) P-C4' energy: -93.646 flat angles C4'-P-C4' energy: -111.958 flat angles P-C4'-P energy: -79.800 tors. eta vs tors. theta energy: -165.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1719.097235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.097235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.097235 (E_RNA) where: Base-Base interactions energy: -1200.457 where: short stacking energy: -496.256 Base-Backbone interact. energy: -2.301 local terms energy: -516.338476 where: bonds (distance) C4'-P energy: -90.316 bonds (distance) P-C4' energy: -89.681 flat angles C4'-P-C4' energy: -111.019 flat angles P-C4'-P energy: -69.531 tors. eta vs tors. theta energy: -155.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1647.702518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.702518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.702518 (E_RNA) where: Base-Base interactions energy: -1165.433 where: short stacking energy: -451.438 Base-Backbone interact. energy: -1.020 local terms energy: -481.250241 where: bonds (distance) C4'-P energy: -78.748 bonds (distance) P-C4' energy: -86.009 flat angles C4'-P-C4' energy: -110.064 flat angles P-C4'-P energy: -72.299 tors. eta vs tors. theta energy: -134.132 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: 9 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1581.094459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.094459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.094459 (E_RNA) where: Base-Base interactions energy: -1100.451 where: short stacking energy: -435.357 Base-Backbone interact. energy: -1.261 local terms energy: -479.382497 where: bonds (distance) C4'-P energy: -75.985 bonds (distance) P-C4' energy: -91.701 flat angles C4'-P-C4' energy: -111.208 flat angles P-C4'-P energy: -66.231 tors. eta vs tors. theta energy: -134.256 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: 4 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1477.081055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.081055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.081055 (E_RNA) where: Base-Base interactions energy: -1052.978 where: short stacking energy: -414.637 Base-Backbone interact. energy: -2.761 local terms energy: -421.342266 where: bonds (distance) C4'-P energy: -75.946 bonds (distance) P-C4' energy: -58.936 flat angles C4'-P-C4' energy: -97.928 flat angles P-C4'-P energy: -70.976 tors. eta vs tors. theta energy: -117.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1235.161825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.161825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.161825 (E_RNA) where: Base-Base interactions energy: -823.170 where: short stacking energy: -349.932 Base-Backbone interact. energy: -1.502 local terms energy: -410.490541 where: bonds (distance) C4'-P energy: -80.363 bonds (distance) P-C4' energy: -82.111 flat angles C4'-P-C4' energy: -92.955 flat angles P-C4'-P energy: -61.855 tors. eta vs tors. theta energy: -93.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1160.024887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.024887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.024887 (E_RNA) where: Base-Base interactions energy: -787.113 where: short stacking energy: -329.854 Base-Backbone interact. energy: -0.207 local terms energy: -372.705006 where: bonds (distance) C4'-P energy: -80.717 bonds (distance) P-C4' energy: -75.598 flat angles C4'-P-C4' energy: -83.745 flat angles P-C4'-P energy: -47.754 tors. eta vs tors. theta energy: -84.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -1009.192387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.192387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.192387 (E_RNA) where: Base-Base interactions energy: -653.781 where: short stacking energy: -288.207 Base-Backbone interact. energy: 1.201 local terms energy: -356.611837 where: bonds (distance) C4'-P energy: -76.303 bonds (distance) P-C4' energy: -82.383 flat angles C4'-P-C4' energy: -78.202 flat angles P-C4'-P energy: -49.158 tors. eta vs tors. theta energy: -70.566 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: 204 Temperature: 1.350000 Total energy: -759.538140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.538140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.538140 (E_RNA) where: Base-Base interactions energy: -465.114 where: short stacking energy: -209.009 Base-Backbone interact. energy: -0.074 local terms energy: -294.349518 where: bonds (distance) C4'-P energy: -72.222 bonds (distance) P-C4' energy: -72.670 flat angles C4'-P-C4' energy: -71.343 flat angles P-C4'-P energy: -44.391 tors. eta vs tors. theta energy: -33.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1816.136461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.136461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.136461 (E_RNA) where: Base-Base interactions energy: -1276.810 where: short stacking energy: -503.770 Base-Backbone interact. energy: -0.458 local terms energy: -538.868651 where: bonds (distance) C4'-P energy: -95.062 bonds (distance) P-C4' energy: -97.004 flat angles C4'-P-C4' energy: -113.349 flat angles P-C4'-P energy: -77.407 tors. eta vs tors. theta energy: -156.046 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: 3 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1785.944896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.944896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.944896 (E_RNA) where: Base-Base interactions energy: -1250.952 where: short stacking energy: -518.185 Base-Backbone interact. energy: -0.151 local terms energy: -534.841425 where: bonds (distance) C4'-P energy: -92.984 bonds (distance) P-C4' energy: -90.714 flat angles C4'-P-C4' energy: -109.050 flat angles P-C4'-P energy: -77.604 tors. eta vs tors. theta energy: -164.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -1706.656944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.656944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.656944 (E_RNA) where: Base-Base interactions energy: -1212.667 where: short stacking energy: -491.944 Base-Backbone interact. energy: -0.660 local terms energy: -493.330271 where: bonds (distance) C4'-P energy: -73.298 bonds (distance) P-C4' energy: -94.476 flat angles C4'-P-C4' energy: -109.569 flat angles P-C4'-P energy: -64.737 tors. eta vs tors. theta energy: -151.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1667.645239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.645239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.645239 (E_RNA) where: Base-Base interactions energy: -1189.587 where: short stacking energy: -476.516 Base-Backbone interact. energy: 2.825 local terms energy: -480.883960 where: bonds (distance) C4'-P energy: -84.175 bonds (distance) P-C4' energy: -83.989 flat angles C4'-P-C4' energy: -106.656 flat angles P-C4'-P energy: -61.352 tors. eta vs tors. theta energy: -144.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1564.341920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.341920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.341920 (E_RNA) where: Base-Base interactions energy: -1091.710 where: short stacking energy: -442.147 Base-Backbone interact. energy: -1.444 local terms energy: -471.188301 where: bonds (distance) C4'-P energy: -96.663 bonds (distance) P-C4' energy: -81.472 flat angles C4'-P-C4' energy: -99.459 flat angles P-C4'-P energy: -59.317 tors. eta vs tors. theta energy: -134.278 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: 6, replica: 4 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -1472.936188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.936188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.936188 (E_RNA) where: Base-Base interactions energy: -1046.507 where: short stacking energy: -406.732 Base-Backbone interact. energy: -0.199 local terms energy: -426.230112 where: bonds (distance) C4'-P energy: -82.327 bonds (distance) P-C4' energy: -85.399 flat angles C4'-P-C4' energy: -100.422 flat angles P-C4'-P energy: -54.722 tors. eta vs tors. theta energy: -103.361 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: 2 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1198.932955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.932955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.932955 (E_RNA) where: Base-Base interactions energy: -800.551 where: short stacking energy: -327.552 Base-Backbone interact. energy: -2.044 local terms energy: -396.337781 where: bonds (distance) C4'-P energy: -78.202 bonds (distance) P-C4' energy: -79.111 flat angles C4'-P-C4' energy: -83.112 flat angles P-C4'-P energy: -61.462 tors. eta vs tors. theta energy: -94.451 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: 10 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1142.151984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.151984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.151984 (E_RNA) where: Base-Base interactions energy: -754.711 where: short stacking energy: -331.125 Base-Backbone interact. energy: 0.736 local terms energy: -388.176388 where: bonds (distance) C4'-P energy: -85.172 bonds (distance) P-C4' energy: -83.731 flat angles C4'-P-C4' energy: -82.732 flat angles P-C4'-P energy: -41.231 tors. eta vs tors. theta energy: -95.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -1041.690811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.690811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.690811 (E_RNA) where: Base-Base interactions energy: -694.956 where: short stacking energy: -313.001 Base-Backbone interact. energy: -1.112 local terms energy: -345.623216 where: bonds (distance) C4'-P energy: -88.500 bonds (distance) P-C4' energy: -76.171 flat angles C4'-P-C4' energy: -67.226 flat angles P-C4'-P energy: -56.520 tors. eta vs tors. theta energy: -57.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -692.314266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.314266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.314266 (E_RNA) where: Base-Base interactions energy: -397.163 where: short stacking energy: -181.457 Base-Backbone interact. energy: -0.374 local terms energy: -294.777132 where: bonds (distance) C4'-P energy: -57.947 bonds (distance) P-C4' energy: -86.757 flat angles C4'-P-C4' energy: -81.335 flat angles P-C4'-P energy: -35.894 tors. eta vs tors. theta energy: -32.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1832.714125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.714125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.714125 (E_RNA) where: Base-Base interactions energy: -1281.940 where: short stacking energy: -507.320 Base-Backbone interact. energy: -1.885 local terms energy: -548.889044 where: bonds (distance) C4'-P energy: -103.037 bonds (distance) P-C4' energy: -89.214 flat angles C4'-P-C4' energy: -121.154 flat angles P-C4'-P energy: -79.557 tors. eta vs tors. theta energy: -155.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1797.211857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.211857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.211857 (E_RNA) where: Base-Base interactions energy: -1258.734 where: short stacking energy: -519.693 Base-Backbone interact. energy: -1.808 local terms energy: -536.669887 where: bonds (distance) C4'-P energy: -84.047 bonds (distance) P-C4' energy: -99.901 flat angles C4'-P-C4' energy: -116.719 flat angles P-C4'-P energy: -80.701 tors. eta vs tors. theta energy: -155.302 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: 6 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1676.393807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.393807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.393807 (E_RNA) where: Base-Base interactions energy: -1204.213 where: short stacking energy: -481.971 Base-Backbone interact. energy: -2.240 local terms energy: -469.940879 where: bonds (distance) C4'-P energy: -80.966 bonds (distance) P-C4' energy: -75.512 flat angles C4'-P-C4' energy: -110.157 flat angles P-C4'-P energy: -72.115 tors. eta vs tors. theta energy: -131.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -1648.780140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.780140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.780140 (E_RNA) where: Base-Base interactions energy: -1157.638 where: short stacking energy: -475.088 Base-Backbone interact. energy: -1.162 local terms energy: -489.980904 where: bonds (distance) C4'-P energy: -84.911 bonds (distance) P-C4' energy: -86.593 flat angles C4'-P-C4' energy: -114.734 flat angles P-C4'-P energy: -66.424 tors. eta vs tors. theta energy: -137.319 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: 9 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1573.864894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.864894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.864894 (E_RNA) where: Base-Base interactions energy: -1059.772 where: short stacking energy: -445.932 Base-Backbone interact. energy: -1.040 local terms energy: -513.052737 where: bonds (distance) C4'-P energy: -91.202 bonds (distance) P-C4' energy: -100.047 flat angles C4'-P-C4' energy: -110.776 flat angles P-C4'-P energy: -71.539 tors. eta vs tors. theta energy: -139.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1479.049000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.049000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.049000 (E_RNA) where: Base-Base interactions energy: -1033.571 where: short stacking energy: -412.886 Base-Backbone interact. energy: -0.203 local terms energy: -445.274710 where: bonds (distance) C4'-P energy: -73.400 bonds (distance) P-C4' energy: -86.839 flat angles C4'-P-C4' energy: -103.184 flat angles P-C4'-P energy: -72.522 tors. eta vs tors. theta energy: -109.330 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: 2 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1220.968859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.968859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.968859 (E_RNA) where: Base-Base interactions energy: -767.941 where: short stacking energy: -333.030 Base-Backbone interact. energy: 1.086 local terms energy: -454.113860 where: bonds (distance) C4'-P energy: -81.831 bonds (distance) P-C4' energy: -108.469 flat angles C4'-P-C4' energy: -100.538 flat angles P-C4'-P energy: -75.165 tors. eta vs tors. theta energy: -88.110 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: 10 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1125.614908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.614908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.614908 (E_RNA) where: Base-Base interactions energy: -748.874 where: short stacking energy: -342.902 Base-Backbone interact. energy: 4.808 local terms energy: -381.549210 where: bonds (distance) C4'-P energy: -69.675 bonds (distance) P-C4' energy: -83.501 flat angles C4'-P-C4' energy: -82.425 flat angles P-C4'-P energy: -55.511 tors. eta vs tors. theta energy: -90.438 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: 206 Temperature: 1.300000 Total energy: -985.142638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.142638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.142638 (E_RNA) where: Base-Base interactions energy: -638.270 where: short stacking energy: -273.333 Base-Backbone interact. energy: -1.342 local terms energy: -345.530033 where: bonds (distance) C4'-P energy: -72.906 bonds (distance) P-C4' energy: -84.974 flat angles C4'-P-C4' energy: -81.241 flat angles P-C4'-P energy: -56.021 tors. eta vs tors. theta energy: -50.387 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: 7 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -685.953280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.953280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.953280 (E_RNA) where: Base-Base interactions energy: -410.849 where: short stacking energy: -212.756 Base-Backbone interact. energy: 0.462 local terms energy: -275.565897 where: bonds (distance) C4'-P energy: -62.605 bonds (distance) P-C4' energy: -76.546 flat angles C4'-P-C4' energy: -70.252 flat angles P-C4'-P energy: -37.399 tors. eta vs tors. theta energy: -28.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1819.160404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.160404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.160404 (E_RNA) where: Base-Base interactions energy: -1286.277 where: short stacking energy: -514.669 Base-Backbone interact. energy: -2.465 local terms energy: -530.418442 where: bonds (distance) C4'-P energy: -91.896 bonds (distance) P-C4' energy: -99.858 flat angles C4'-P-C4' energy: -108.816 flat angles P-C4'-P energy: -75.703 tors. eta vs tors. theta energy: -154.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1770.251617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.251617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.251617 (E_RNA) where: Base-Base interactions energy: -1233.306 where: short stacking energy: -507.088 Base-Backbone interact. energy: -2.422 local terms energy: -534.523995 where: bonds (distance) C4'-P energy: -97.135 bonds (distance) P-C4' energy: -97.745 flat angles C4'-P-C4' energy: -105.043 flat angles P-C4'-P energy: -79.777 tors. eta vs tors. theta energy: -154.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -1706.777864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.777864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.777864 (E_RNA) where: Base-Base interactions energy: -1208.459 where: short stacking energy: -485.165 Base-Backbone interact. energy: -0.416 local terms energy: -497.902367 where: bonds (distance) C4'-P energy: -88.135 bonds (distance) P-C4' energy: -92.114 flat angles C4'-P-C4' energy: -104.205 flat angles P-C4'-P energy: -68.004 tors. eta vs tors. theta energy: -145.444 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: 5 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1659.405531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.405531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.405531 (E_RNA) where: Base-Base interactions energy: -1166.572 where: short stacking energy: -479.740 Base-Backbone interact. energy: -1.270 local terms energy: -491.563600 where: bonds (distance) C4'-P energy: -65.118 bonds (distance) P-C4' energy: -88.707 flat angles C4'-P-C4' energy: -109.545 flat angles P-C4'-P energy: -80.432 tors. eta vs tors. theta energy: -147.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1582.311349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.311349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.311349 (E_RNA) where: Base-Base interactions energy: -1087.793 where: short stacking energy: -419.048 Base-Backbone interact. energy: -1.353 local terms energy: -493.164988 where: bonds (distance) C4'-P energy: -89.850 bonds (distance) P-C4' energy: -102.205 flat angles C4'-P-C4' energy: -104.478 flat angles P-C4'-P energy: -65.886 tors. eta vs tors. theta energy: -130.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1485.072670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.072670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.072670 (E_RNA) where: Base-Base interactions energy: -1038.306 where: short stacking energy: -399.578 Base-Backbone interact. energy: 1.554 local terms energy: -448.320836 where: bonds (distance) C4'-P energy: -74.205 bonds (distance) P-C4' energy: -93.811 flat angles C4'-P-C4' energy: -101.007 flat angles P-C4'-P energy: -69.812 tors. eta vs tors. theta energy: -109.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1176.896011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.896011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.896011 (E_RNA) where: Base-Base interactions energy: -756.909 where: short stacking energy: -333.140 Base-Backbone interact. energy: -2.343 local terms energy: -417.643777 where: bonds (distance) C4'-P energy: -87.833 bonds (distance) P-C4' energy: -92.655 flat angles C4'-P-C4' energy: -85.089 flat angles P-C4'-P energy: -55.457 tors. eta vs tors. theta energy: -96.609 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: 10 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1157.935504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.935504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.935504 (E_RNA) where: Base-Base interactions energy: -774.595 where: short stacking energy: -312.118 Base-Backbone interact. energy: 0.238 local terms energy: -383.578382 where: bonds (distance) C4'-P energy: -85.817 bonds (distance) P-C4' energy: -79.238 flat angles C4'-P-C4' energy: -81.480 flat angles P-C4'-P energy: -62.133 tors. eta vs tors. theta energy: -74.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -993.510707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.510707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.510707 (E_RNA) where: Base-Base interactions energy: -662.795 where: short stacking energy: -295.526 Base-Backbone interact. energy: 1.698 local terms energy: -332.413440 where: bonds (distance) C4'-P energy: -86.822 bonds (distance) P-C4' energy: -69.678 flat angles C4'-P-C4' energy: -75.481 flat angles P-C4'-P energy: -51.535 tors. eta vs tors. theta energy: -48.897 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: 207 Temperature: 1.350000 Total energy: -610.287784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.287784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.287784 (E_RNA) where: Base-Base interactions energy: -333.614 where: short stacking energy: -153.064 Base-Backbone interact. energy: 0.256 local terms energy: -276.930217 where: bonds (distance) C4'-P energy: -78.780 bonds (distance) P-C4' energy: -91.666 flat angles C4'-P-C4' energy: -73.823 flat angles P-C4'-P energy: -23.246 tors. eta vs tors. theta energy: -9.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1809.012150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.012150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.012150 (E_RNA) where: Base-Base interactions energy: -1274.909 where: short stacking energy: -507.531 Base-Backbone interact. energy: -2.174 local terms energy: -531.929568 where: bonds (distance) C4'-P energy: -97.170 bonds (distance) P-C4' energy: -89.716 flat angles C4'-P-C4' energy: -114.362 flat angles P-C4'-P energy: -74.770 tors. eta vs tors. theta energy: -155.912 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: 3 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1795.647610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.647610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.647610 (E_RNA) where: Base-Base interactions energy: -1265.498 where: short stacking energy: -524.012 Base-Backbone interact. energy: -0.967 local terms energy: -529.183554 where: bonds (distance) C4'-P energy: -93.546 bonds (distance) P-C4' energy: -79.734 flat angles C4'-P-C4' energy: -115.352 flat angles P-C4'-P energy: -78.216 tors. eta vs tors. theta energy: -162.336 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: 6 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1711.038540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.038540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.038540 (E_RNA) where: Base-Base interactions energy: -1221.686 where: short stacking energy: -488.798 Base-Backbone interact. energy: -3.240 local terms energy: -486.112755 where: bonds (distance) C4'-P energy: -87.562 bonds (distance) P-C4' energy: -88.117 flat angles C4'-P-C4' energy: -104.617 flat angles P-C4'-P energy: -62.179 tors. eta vs tors. theta energy: -143.638 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: 5 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1638.431562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.431562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.431562 (E_RNA) where: Base-Base interactions energy: -1138.257 where: short stacking energy: -467.277 Base-Backbone interact. energy: -1.599 local terms energy: -498.575432 where: bonds (distance) C4'-P energy: -84.546 bonds (distance) P-C4' energy: -86.532 flat angles C4'-P-C4' energy: -101.573 flat angles P-C4'-P energy: -78.260 tors. eta vs tors. theta energy: -147.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1599.416410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.416410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.416410 (E_RNA) where: Base-Base interactions energy: -1125.865 where: short stacking energy: -458.654 Base-Backbone interact. energy: 1.692 local terms energy: -475.243222 where: bonds (distance) C4'-P energy: -80.414 bonds (distance) P-C4' energy: -78.214 flat angles C4'-P-C4' energy: -109.453 flat angles P-C4'-P energy: -68.840 tors. eta vs tors. theta energy: -138.323 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: 4 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1508.053441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.053441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.053441 (E_RNA) where: Base-Base interactions energy: -1073.012 where: short stacking energy: -413.865 Base-Backbone interact. energy: -0.395 local terms energy: -434.646900 where: bonds (distance) C4'-P energy: -85.848 bonds (distance) P-C4' energy: -77.585 flat angles C4'-P-C4' energy: -98.364 flat angles P-C4'-P energy: -62.685 tors. eta vs tors. theta energy: -110.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1185.441390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.441390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.441390 (E_RNA) where: Base-Base interactions energy: -785.326 where: short stacking energy: -331.235 Base-Backbone interact. energy: -0.435 local terms energy: -399.679951 where: bonds (distance) C4'-P energy: -83.603 bonds (distance) P-C4' energy: -76.926 flat angles C4'-P-C4' energy: -84.743 flat angles P-C4'-P energy: -53.052 tors. eta vs tors. theta energy: -101.356 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: 208 Temperature: 1.250000 Total energy: -1161.514609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.514609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.514609 (E_RNA) where: Base-Base interactions energy: -772.303 where: short stacking energy: -321.477 Base-Backbone interact. energy: 1.323 local terms energy: -390.535249 where: bonds (distance) C4'-P energy: -80.333 bonds (distance) P-C4' energy: -89.493 flat angles C4'-P-C4' energy: -94.958 flat angles P-C4'-P energy: -59.061 tors. eta vs tors. theta energy: -66.691 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: 208 Temperature: 1.300000 Total energy: -1006.081438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.081438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.081438 (E_RNA) where: Base-Base interactions energy: -656.605 where: short stacking energy: -292.402 Base-Backbone interact. energy: -0.905 local terms energy: -348.571169 where: bonds (distance) C4'-P energy: -67.902 bonds (distance) P-C4' energy: -78.220 flat angles C4'-P-C4' energy: -79.521 flat angles P-C4'-P energy: -56.488 tors. eta vs tors. theta energy: -66.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -611.740368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.740368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.740368 (E_RNA) where: Base-Base interactions energy: -344.636 where: short stacking energy: -162.638 Base-Backbone interact. energy: -0.227 local terms energy: -266.877127 where: bonds (distance) C4'-P energy: -61.707 bonds (distance) P-C4' energy: -89.146 flat angles C4'-P-C4' energy: -66.147 flat angles P-C4'-P energy: -41.506 tors. eta vs tors. theta energy: -8.371 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: 1 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1809.911202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.911202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.911202 (E_RNA) where: Base-Base interactions energy: -1260.911 where: short stacking energy: -503.031 Base-Backbone interact. energy: -3.104 local terms energy: -545.896133 where: bonds (distance) C4'-P energy: -97.154 bonds (distance) P-C4' energy: -97.978 flat angles C4'-P-C4' energy: -108.054 flat angles P-C4'-P energy: -79.309 tors. eta vs tors. theta energy: -163.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1782.959754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.959754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.959754 (E_RNA) where: Base-Base interactions energy: -1260.872 where: short stacking energy: -517.724 Base-Backbone interact. energy: -1.000 local terms energy: -521.087854 where: bonds (distance) C4'-P energy: -83.893 bonds (distance) P-C4' energy: -101.728 flat angles C4'-P-C4' energy: -111.092 flat angles P-C4'-P energy: -71.623 tors. eta vs tors. theta energy: -152.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1713.989212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.989212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.989212 (E_RNA) where: Base-Base interactions energy: -1200.358 where: short stacking energy: -478.497 Base-Backbone interact. energy: 0.080 local terms energy: -513.710551 where: bonds (distance) C4'-P energy: -81.317 bonds (distance) P-C4' energy: -95.105 flat angles C4'-P-C4' energy: -109.021 flat angles P-C4'-P energy: -79.121 tors. eta vs tors. theta energy: -149.147 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: 9 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1621.953092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.953092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.953092 (E_RNA) where: Base-Base interactions energy: -1133.748 where: short stacking energy: -458.692 Base-Backbone interact. energy: 3.439 local terms energy: -491.643529 where: bonds (distance) C4'-P energy: -84.004 bonds (distance) P-C4' energy: -89.667 flat angles C4'-P-C4' energy: -104.401 flat angles P-C4'-P energy: -74.020 tors. eta vs tors. theta energy: -139.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -1627.342627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.342627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.342627 (E_RNA) where: Base-Base interactions energy: -1140.281 where: short stacking energy: -458.249 Base-Backbone interact. energy: -1.040 local terms energy: -486.022308 where: bonds (distance) C4'-P energy: -69.581 bonds (distance) P-C4' energy: -87.697 flat angles C4'-P-C4' energy: -103.103 flat angles P-C4'-P energy: -77.251 tors. eta vs tors. theta energy: -148.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1490.027201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.027201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.027201 (E_RNA) where: Base-Base interactions energy: -1056.877 where: short stacking energy: -424.773 Base-Backbone interact. energy: 0.422 local terms energy: -433.572317 where: bonds (distance) C4'-P energy: -77.240 bonds (distance) P-C4' energy: -89.842 flat angles C4'-P-C4' energy: -96.051 flat angles P-C4'-P energy: -56.080 tors. eta vs tors. theta energy: -114.359 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: 2 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1118.342538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.342538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.342538 (E_RNA) where: Base-Base interactions energy: -717.252 where: short stacking energy: -308.144 Base-Backbone interact. energy: 2.703 local terms energy: -403.793301 where: bonds (distance) C4'-P energy: -83.353 bonds (distance) P-C4' energy: -90.790 flat angles C4'-P-C4' energy: -78.211 flat angles P-C4'-P energy: -63.372 tors. eta vs tors. theta energy: -88.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1175.112441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.112441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.112441 (E_RNA) where: Base-Base interactions energy: -799.175 where: short stacking energy: -337.362 Base-Backbone interact. energy: 0.533 local terms energy: -376.470044 where: bonds (distance) C4'-P energy: -72.092 bonds (distance) P-C4' energy: -85.794 flat angles C4'-P-C4' energy: -78.730 flat angles P-C4'-P energy: -59.347 tors. eta vs tors. theta energy: -80.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -1015.261695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.261695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.261695 (E_RNA) where: Base-Base interactions energy: -670.757 where: short stacking energy: -278.529 Base-Backbone interact. energy: 3.803 local terms energy: -348.307701 where: bonds (distance) C4'-P energy: -69.537 bonds (distance) P-C4' energy: -90.803 flat angles C4'-P-C4' energy: -90.766 flat angles P-C4'-P energy: -41.320 tors. eta vs tors. theta energy: -55.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -603.167006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.167006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.167006 (E_RNA) where: Base-Base interactions energy: -322.830 where: short stacking energy: -144.182 Base-Backbone interact. energy: 1.214 local terms energy: -281.550724 where: bonds (distance) C4'-P energy: -81.359 bonds (distance) P-C4' energy: -82.777 flat angles C4'-P-C4' energy: -67.106 flat angles P-C4'-P energy: -34.697 tors. eta vs tors. theta energy: -15.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1846.289925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.289925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.289925 (E_RNA) where: Base-Base interactions energy: -1288.274 where: short stacking energy: -544.744 Base-Backbone interact. energy: -0.245 local terms energy: -557.770140 where: bonds (distance) C4'-P energy: -99.645 bonds (distance) P-C4' energy: -91.705 flat angles C4'-P-C4' energy: -115.047 flat angles P-C4'-P energy: -83.083 tors. eta vs tors. theta energy: -168.290 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: 2, replica: 1 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1790.139390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.139390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.139390 (E_RNA) where: Base-Base interactions energy: -1259.265 where: short stacking energy: -500.631 Base-Backbone interact. energy: -1.911 local terms energy: -528.963189 where: bonds (distance) C4'-P energy: -93.996 bonds (distance) P-C4' energy: -91.270 flat angles C4'-P-C4' energy: -107.497 flat angles P-C4'-P energy: -74.324 tors. eta vs tors. theta energy: -161.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1709.319550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.319550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.319550 (E_RNA) where: Base-Base interactions energy: -1207.604 where: short stacking energy: -481.329 Base-Backbone interact. energy: -0.005 local terms energy: -501.709572 where: bonds (distance) C4'-P energy: -91.640 bonds (distance) P-C4' energy: -92.598 flat angles C4'-P-C4' energy: -101.671 flat angles P-C4'-P energy: -71.885 tors. eta vs tors. theta energy: -143.916 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: 9 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1580.539811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.539811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.539811 (E_RNA) where: Base-Base interactions energy: -1097.079 where: short stacking energy: -445.038 Base-Backbone interact. energy: -1.249 local terms energy: -482.211423 where: bonds (distance) C4'-P energy: -88.153 bonds (distance) P-C4' energy: -86.412 flat angles C4'-P-C4' energy: -99.662 flat angles P-C4'-P energy: -76.141 tors. eta vs tors. theta energy: -131.842 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: 5 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -1630.666397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.666397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.666397 (E_RNA) where: Base-Base interactions energy: -1113.969 where: short stacking energy: -453.589 Base-Backbone interact. energy: -1.018 local terms energy: -515.679882 where: bonds (distance) C4'-P energy: -88.026 bonds (distance) P-C4' energy: -100.814 flat angles C4'-P-C4' energy: -109.041 flat angles P-C4'-P energy: -76.907 tors. eta vs tors. theta energy: -140.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1525.482918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.482918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.482918 (E_RNA) where: Base-Base interactions energy: -1119.601 where: short stacking energy: -403.489 Base-Backbone interact. energy: 0.110 local terms energy: -405.991455 where: bonds (distance) C4'-P energy: -66.054 bonds (distance) P-C4' energy: -91.357 flat angles C4'-P-C4' energy: -90.253 flat angles P-C4'-P energy: -60.366 tors. eta vs tors. theta energy: -97.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1261.485895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.485895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.485895 (E_RNA) where: Base-Base interactions energy: -840.180 where: short stacking energy: -368.137 Base-Backbone interact. energy: -0.699 local terms energy: -420.606406 where: bonds (distance) C4'-P energy: -74.191 bonds (distance) P-C4' energy: -83.800 flat angles C4'-P-C4' energy: -97.877 flat angles P-C4'-P energy: -65.106 tors. eta vs tors. theta energy: -99.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1101.341889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.341889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.341889 (E_RNA) where: Base-Base interactions energy: -724.810 where: short stacking energy: -299.596 Base-Backbone interact. energy: -2.708 local terms energy: -373.824857 where: bonds (distance) C4'-P energy: -75.974 bonds (distance) P-C4' energy: -80.988 flat angles C4'-P-C4' energy: -86.456 flat angles P-C4'-P energy: -59.807 tors. eta vs tors. theta energy: -70.600 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: 9, replica: 8 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -1033.961284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.961284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.961284 (E_RNA) where: Base-Base interactions energy: -690.780 where: short stacking energy: -304.336 Base-Backbone interact. energy: -0.197 local terms energy: -342.983894 where: bonds (distance) C4'-P energy: -70.048 bonds (distance) P-C4' energy: -76.534 flat angles C4'-P-C4' energy: -74.492 flat angles P-C4'-P energy: -53.843 tors. eta vs tors. theta energy: -68.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -621.403806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.403806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.403806 (E_RNA) where: Base-Base interactions energy: -357.825 where: short stacking energy: -167.327 Base-Backbone interact. energy: 3.101 local terms energy: -266.679073 where: bonds (distance) C4'-P energy: -69.219 bonds (distance) P-C4' energy: -72.980 flat angles C4'-P-C4' energy: -64.839 flat angles P-C4'-P energy: -38.958 tors. eta vs tors. theta energy: -20.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1825.375222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.375222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.375222 (E_RNA) where: Base-Base interactions energy: -1280.669 where: short stacking energy: -516.217 Base-Backbone interact. energy: -1.192 local terms energy: -543.513758 where: bonds (distance) C4'-P energy: -86.912 bonds (distance) P-C4' energy: -98.515 flat angles C4'-P-C4' energy: -116.807 flat angles P-C4'-P energy: -79.265 tors. eta vs tors. theta energy: -162.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -1784.238887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.238887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.238887 (E_RNA) where: Base-Base interactions energy: -1260.613 where: short stacking energy: -504.087 Base-Backbone interact. energy: -2.601 local terms energy: -521.025068 where: bonds (distance) C4'-P energy: -88.251 bonds (distance) P-C4' energy: -91.565 flat angles C4'-P-C4' energy: -110.868 flat angles P-C4'-P energy: -76.721 tors. eta vs tors. theta energy: -153.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1716.835559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.835559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.835559 (E_RNA) where: Base-Base interactions energy: -1215.110 where: short stacking energy: -487.882 Base-Backbone interact. energy: -1.778 local terms energy: -499.947683 where: bonds (distance) C4'-P energy: -80.558 bonds (distance) P-C4' energy: -95.609 flat angles C4'-P-C4' energy: -110.487 flat angles P-C4'-P energy: -65.277 tors. eta vs tors. theta energy: -148.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1619.316537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.316537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.316537 (E_RNA) where: Base-Base interactions energy: -1133.890 where: short stacking energy: -458.013 Base-Backbone interact. energy: -0.339 local terms energy: -485.087493 where: bonds (distance) C4'-P energy: -81.810 bonds (distance) P-C4' energy: -79.718 flat angles C4'-P-C4' energy: -104.383 flat angles P-C4'-P energy: -82.752 tors. eta vs tors. theta energy: -136.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -1592.837490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.837490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.837490 (E_RNA) where: Base-Base interactions energy: -1099.757 where: short stacking energy: -431.349 Base-Backbone interact. energy: -0.610 local terms energy: -492.471020 where: bonds (distance) C4'-P energy: -80.570 bonds (distance) P-C4' energy: -96.576 flat angles C4'-P-C4' energy: -105.296 flat angles P-C4'-P energy: -75.749 tors. eta vs tors. theta energy: -134.280 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: 4 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1482.574192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.574192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.574192 (E_RNA) where: Base-Base interactions energy: -1045.862 where: short stacking energy: -422.759 Base-Backbone interact. energy: -0.344 local terms energy: -436.368534 where: bonds (distance) C4'-P energy: -88.519 bonds (distance) P-C4' energy: -82.986 flat angles C4'-P-C4' energy: -89.720 flat angles P-C4'-P energy: -65.595 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: 7, replica: 10 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1250.433670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.433670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.433670 (E_RNA) where: Base-Base interactions energy: -807.674 where: short stacking energy: -344.537 Base-Backbone interact. energy: -0.963 local terms energy: -441.796336 where: bonds (distance) C4'-P energy: -85.933 bonds (distance) P-C4' energy: -103.021 flat angles C4'-P-C4' energy: -98.085 flat angles P-C4'-P energy: -68.480 tors. eta vs tors. theta energy: -86.277 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: 8 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1083.012587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.012587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.012587 (E_RNA) where: Base-Base interactions energy: -697.731 where: short stacking energy: -306.985 Base-Backbone interact. energy: 1.240 local terms energy: -386.521226 where: bonds (distance) C4'-P energy: -72.922 bonds (distance) P-C4' energy: -76.092 flat angles C4'-P-C4' energy: -93.794 flat angles P-C4'-P energy: -66.571 tors. eta vs tors. theta energy: -77.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -1035.357165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.357165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.357165 (E_RNA) where: Base-Base interactions energy: -662.215 where: short stacking energy: -281.045 Base-Backbone interact. energy: -0.836 local terms energy: -372.306248 where: bonds (distance) C4'-P energy: -84.442 bonds (distance) P-C4' energy: -76.394 flat angles C4'-P-C4' energy: -91.935 flat angles P-C4'-P energy: -52.342 tors. eta vs tors. theta energy: -67.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -611.570714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.570714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.570714 (E_RNA) where: Base-Base interactions energy: -326.738 where: short stacking energy: -154.831 Base-Backbone interact. energy: -0.193 local terms energy: -284.638890 where: bonds (distance) C4'-P energy: -70.482 bonds (distance) P-C4' energy: -87.991 flat angles C4'-P-C4' energy: -70.492 flat angles P-C4'-P energy: -44.505 tors. eta vs tors. theta energy: -11.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1819.701865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.701865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.701865 (E_RNA) where: Base-Base interactions energy: -1278.851 where: short stacking energy: -512.082 Base-Backbone interact. energy: -0.635 local terms energy: -540.216095 where: bonds (distance) C4'-P energy: -99.235 bonds (distance) P-C4' energy: -93.570 flat angles C4'-P-C4' energy: -108.265 flat angles P-C4'-P energy: -78.117 tors. eta vs tors. theta energy: -161.029 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: 212 Temperature: 0.950000 Total energy: -1806.889978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.889978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.889978 (E_RNA) where: Base-Base interactions energy: -1260.403 where: short stacking energy: -523.768 Base-Backbone interact. energy: -2.668 local terms energy: -543.818908 where: bonds (distance) C4'-P energy: -92.002 bonds (distance) P-C4' energy: -100.130 flat angles C4'-P-C4' energy: -113.964 flat angles P-C4'-P energy: -70.939 tors. eta vs tors. theta energy: -166.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1713.074649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.074649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.074649 (E_RNA) where: Base-Base interactions energy: -1207.177 where: short stacking energy: -468.008 Base-Backbone interact. energy: 0.136 local terms energy: -506.033882 where: bonds (distance) C4'-P energy: -88.717 bonds (distance) P-C4' energy: -90.640 flat angles C4'-P-C4' energy: -114.512 flat angles P-C4'-P energy: -68.786 tors. eta vs tors. theta energy: -143.378 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: 212 Temperature: 1.050000 Total energy: -1612.832390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.832390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.832390 (E_RNA) where: Base-Base interactions energy: -1128.874 where: short stacking energy: -457.429 Base-Backbone interact. energy: -0.124 local terms energy: -483.834500 where: bonds (distance) C4'-P energy: -80.181 bonds (distance) P-C4' energy: -92.906 flat angles C4'-P-C4' energy: -98.264 flat angles P-C4'-P energy: -75.247 tors. eta vs tors. theta energy: -137.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1593.477721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.477721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.477721 (E_RNA) where: Base-Base interactions energy: -1113.000 where: short stacking energy: -452.588 Base-Backbone interact. energy: 5.946 local terms energy: -486.423815 where: bonds (distance) C4'-P energy: -91.515 bonds (distance) P-C4' energy: -85.591 flat angles C4'-P-C4' energy: -108.442 flat angles P-C4'-P energy: -64.123 tors. eta vs tors. theta energy: -136.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1592.115880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.115880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.115880 (E_RNA) where: Base-Base interactions energy: -1161.095 where: short stacking energy: -438.456 Base-Backbone interact. energy: 5.003 local terms energy: -436.023503 where: bonds (distance) C4'-P energy: -72.538 bonds (distance) P-C4' energy: -72.918 flat angles C4'-P-C4' energy: -96.292 flat angles P-C4'-P energy: -71.925 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: 7, replica: 10 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1251.915081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.915081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.915081 (E_RNA) where: Base-Base interactions energy: -868.149 where: short stacking energy: -342.861 Base-Backbone interact. energy: 2.152 local terms energy: -385.917839 where: bonds (distance) C4'-P energy: -63.824 bonds (distance) P-C4' energy: -81.828 flat angles C4'-P-C4' energy: -92.569 flat angles P-C4'-P energy: -59.304 tors. eta vs tors. theta energy: -88.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1065.318639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.318639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.318639 (E_RNA) where: Base-Base interactions energy: -684.312 where: short stacking energy: -300.640 Base-Backbone interact. energy: 2.508 local terms energy: -383.514697 where: bonds (distance) C4'-P energy: -69.518 bonds (distance) P-C4' energy: -91.143 flat angles C4'-P-C4' energy: -93.388 flat angles P-C4'-P energy: -55.341 tors. eta vs tors. theta energy: -74.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -1016.020837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.020837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.020837 (E_RNA) where: Base-Base interactions energy: -646.739 where: short stacking energy: -284.349 Base-Backbone interact. energy: -1.167 local terms energy: -368.114470 where: bonds (distance) C4'-P energy: -59.694 bonds (distance) P-C4' energy: -81.441 flat angles C4'-P-C4' energy: -91.361 flat angles P-C4'-P energy: -65.731 tors. eta vs tors. theta energy: -69.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -587.263941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.263941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.263941 (E_RNA) where: Base-Base interactions energy: -309.586 where: short stacking energy: -160.439 Base-Backbone interact. energy: -3.168 local terms energy: -274.510137 where: bonds (distance) C4'-P energy: -66.055 bonds (distance) P-C4' energy: -97.244 flat angles C4'-P-C4' energy: -73.971 flat angles P-C4'-P energy: -27.401 tors. eta vs tors. theta energy: -9.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1841.635746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.635746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.635746 (E_RNA) where: Base-Base interactions energy: -1285.025 where: short stacking energy: -519.924 Base-Backbone interact. energy: -2.438 local terms energy: -554.172673 where: bonds (distance) C4'-P energy: -84.054 bonds (distance) P-C4' energy: -105.214 flat angles C4'-P-C4' energy: -120.584 flat angles P-C4'-P energy: -81.842 tors. eta vs tors. theta energy: -162.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1805.973010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.973010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.973010 (E_RNA) where: Base-Base interactions energy: -1253.953 where: short stacking energy: -499.280 Base-Backbone interact. energy: 1.031 local terms energy: -553.051600 where: bonds (distance) C4'-P energy: -95.477 bonds (distance) P-C4' energy: -99.580 flat angles C4'-P-C4' energy: -112.822 flat angles P-C4'-P energy: -85.750 tors. eta vs tors. theta energy: -159.422 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: 6 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1695.731973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.731973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.731973 (E_RNA) where: Base-Base interactions energy: -1189.708 where: short stacking energy: -474.199 Base-Backbone interact. energy: 0.678 local terms energy: -506.701625 where: bonds (distance) C4'-P energy: -85.173 bonds (distance) P-C4' energy: -97.450 flat angles C4'-P-C4' energy: -100.017 flat angles P-C4'-P energy: -73.879 tors. eta vs tors. theta energy: -150.183 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: 9 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1598.003925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.003925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.003925 (E_RNA) where: Base-Base interactions energy: -1125.360 where: short stacking energy: -466.574 Base-Backbone interact. energy: 1.448 local terms energy: -474.092138 where: bonds (distance) C4'-P energy: -85.996 bonds (distance) P-C4' energy: -88.396 flat angles C4'-P-C4' energy: -97.875 flat angles P-C4'-P energy: -66.684 tors. eta vs tors. theta energy: -135.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1601.797246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.797246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.797246 (E_RNA) where: Base-Base interactions energy: -1110.780 where: short stacking energy: -467.817 Base-Backbone interact. energy: -0.741 local terms energy: -490.276052 where: bonds (distance) C4'-P energy: -85.081 bonds (distance) P-C4' energy: -79.038 flat angles C4'-P-C4' energy: -104.765 flat angles P-C4'-P energy: -71.133 tors. eta vs tors. theta energy: -150.260 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: 6, replica: 4 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1573.373100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.373100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.373100 (E_RNA) where: Base-Base interactions energy: -1130.254 where: short stacking energy: -445.518 Base-Backbone interact. energy: -1.016 local terms energy: -442.102514 where: bonds (distance) C4'-P energy: -81.678 bonds (distance) P-C4' energy: -79.036 flat angles C4'-P-C4' energy: -94.538 flat angles P-C4'-P energy: -52.257 tors. eta vs tors. theta energy: -134.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1301.754616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.754616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.754616 (E_RNA) where: Base-Base interactions energy: -877.549 where: short stacking energy: -364.709 Base-Backbone interact. energy: -2.775 local terms energy: -421.430308 where: bonds (distance) C4'-P energy: -72.984 bonds (distance) P-C4' energy: -88.702 flat angles C4'-P-C4' energy: -88.078 flat angles P-C4'-P energy: -71.236 tors. eta vs tors. theta energy: -100.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1109.724704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.724704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.724704 (E_RNA) where: Base-Base interactions energy: -726.399 where: short stacking energy: -333.573 Base-Backbone interact. energy: 2.179 local terms energy: -385.504937 where: bonds (distance) C4'-P energy: -64.579 bonds (distance) P-C4' energy: -83.573 flat angles C4'-P-C4' energy: -101.096 flat angles P-C4'-P energy: -59.743 tors. eta vs tors. theta energy: -76.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -1004.188001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.188001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.188001 (E_RNA) where: Base-Base interactions energy: -660.314 where: short stacking energy: -292.859 Base-Backbone interact. energy: -1.547 local terms energy: -342.326379 where: bonds (distance) C4'-P energy: -75.873 bonds (distance) P-C4' energy: -77.169 flat angles C4'-P-C4' energy: -73.749 flat angles P-C4'-P energy: -59.126 tors. eta vs tors. theta energy: -56.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -644.751152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.751152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.751152 (E_RNA) where: Base-Base interactions energy: -366.590 where: short stacking energy: -176.024 Base-Backbone interact. energy: -1.708 local terms energy: -276.452689 where: bonds (distance) C4'-P energy: -81.833 bonds (distance) P-C4' energy: -75.004 flat angles C4'-P-C4' energy: -62.032 flat angles P-C4'-P energy: -48.084 tors. eta vs tors. theta energy: -9.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1815.194338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.194338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.194338 (E_RNA) where: Base-Base interactions energy: -1266.062 where: short stacking energy: -510.590 Base-Backbone interact. energy: -3.042 local terms energy: -546.090317 where: bonds (distance) C4'-P energy: -85.568 bonds (distance) P-C4' energy: -106.344 flat angles C4'-P-C4' energy: -113.165 flat angles P-C4'-P energy: -75.537 tors. eta vs tors. theta energy: -165.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -1788.913477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.913477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.913477 (E_RNA) where: Base-Base interactions energy: -1237.426 where: short stacking energy: -519.084 Base-Backbone interact. energy: -0.341 local terms energy: -551.147134 where: bonds (distance) C4'-P energy: -99.612 bonds (distance) P-C4' energy: -97.980 flat angles C4'-P-C4' energy: -108.573 flat angles P-C4'-P energy: -82.353 tors. eta vs tors. theta energy: -162.629 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: 6 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1705.296365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.296365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.296365 (E_RNA) where: Base-Base interactions energy: -1206.053 where: short stacking energy: -486.762 Base-Backbone interact. energy: -1.064 local terms energy: -498.179827 where: bonds (distance) C4'-P energy: -76.470 bonds (distance) P-C4' energy: -89.677 flat angles C4'-P-C4' energy: -109.669 flat angles P-C4'-P energy: -75.336 tors. eta vs tors. theta energy: -147.028 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: 4, replica: 9 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1617.724762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.724762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.724762 (E_RNA) where: Base-Base interactions energy: -1130.160 where: short stacking energy: -456.686 Base-Backbone interact. energy: -0.715 local terms energy: -486.848949 where: bonds (distance) C4'-P energy: -69.176 bonds (distance) P-C4' energy: -96.266 flat angles C4'-P-C4' energy: -112.911 flat angles P-C4'-P energy: -73.714 tors. eta vs tors. theta energy: -134.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1608.489451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.489451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.489451 (E_RNA) where: Base-Base interactions energy: -1118.388 where: short stacking energy: -445.825 Base-Backbone interact. energy: -0.974 local terms energy: -489.126982 where: bonds (distance) C4'-P energy: -98.080 bonds (distance) P-C4' energy: -90.996 flat angles C4'-P-C4' energy: -95.507 flat angles P-C4'-P energy: -73.084 tors. eta vs tors. theta energy: -131.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -1535.487253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.487253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.487253 (E_RNA) where: Base-Base interactions energy: -1103.391 where: short stacking energy: -403.974 Base-Backbone interact. energy: -0.211 local terms energy: -431.886082 where: bonds (distance) C4'-P energy: -86.947 bonds (distance) P-C4' energy: -61.219 flat angles C4'-P-C4' energy: -95.069 flat angles P-C4'-P energy: -69.381 tors. eta vs tors. theta energy: -119.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1310.282640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.282640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.282640 (E_RNA) where: Base-Base interactions energy: -870.971 where: short stacking energy: -361.121 Base-Backbone interact. energy: 1.406 local terms energy: -440.717614 where: bonds (distance) C4'-P energy: -85.935 bonds (distance) P-C4' energy: -87.739 flat angles C4'-P-C4' energy: -107.441 flat angles P-C4'-P energy: -54.680 tors. eta vs tors. theta energy: -104.922 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: 8 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1102.164040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.164040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.164040 (E_RNA) where: Base-Base interactions energy: -714.522 where: short stacking energy: -294.548 Base-Backbone interact. energy: -2.062 local terms energy: -385.579982 where: bonds (distance) C4'-P energy: -92.856 bonds (distance) P-C4' energy: -79.048 flat angles C4'-P-C4' energy: -90.026 flat angles P-C4'-P energy: -58.768 tors. eta vs tors. theta energy: -64.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -987.880851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.880851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.880851 (E_RNA) where: Base-Base interactions energy: -643.792 where: short stacking energy: -272.598 Base-Backbone interact. energy: 2.664 local terms energy: -346.752872 where: bonds (distance) C4'-P energy: -67.812 bonds (distance) P-C4' energy: -91.673 flat angles C4'-P-C4' energy: -76.843 flat angles P-C4'-P energy: -49.465 tors. eta vs tors. theta energy: -60.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -650.242738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.242738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.242738 (E_RNA) where: Base-Base interactions energy: -366.251 where: short stacking energy: -186.677 Base-Backbone interact. energy: -1.566 local terms energy: -282.425490 where: bonds (distance) C4'-P energy: -69.559 bonds (distance) P-C4' energy: -81.865 flat angles C4'-P-C4' energy: -79.425 flat angles P-C4'-P energy: -35.046 tors. eta vs tors. theta energy: -16.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1828.961880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.961880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.961880 (E_RNA) where: Base-Base interactions energy: -1285.797 where: short stacking energy: -512.513 Base-Backbone interact. energy: -0.470 local terms energy: -542.694899 where: bonds (distance) C4'-P energy: -98.810 bonds (distance) P-C4' energy: -98.296 flat angles C4'-P-C4' energy: -112.317 flat angles P-C4'-P energy: -75.439 tors. eta vs tors. theta energy: -157.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1792.761782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.761782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.761782 (E_RNA) where: Base-Base interactions energy: -1261.097 where: short stacking energy: -518.425 Base-Backbone interact. energy: -0.573 local terms energy: -531.091733 where: bonds (distance) C4'-P energy: -98.160 bonds (distance) P-C4' energy: -84.441 flat angles C4'-P-C4' energy: -118.067 flat angles P-C4'-P energy: -74.157 tors. eta vs tors. theta energy: -156.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1689.920877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.920877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.920877 (E_RNA) where: Base-Base interactions energy: -1222.911 where: short stacking energy: -482.819 Base-Backbone interact. energy: -1.826 local terms energy: -465.183720 where: bonds (distance) C4'-P energy: -84.000 bonds (distance) P-C4' energy: -72.019 flat angles C4'-P-C4' energy: -93.953 flat angles P-C4'-P energy: -63.767 tors. eta vs tors. theta energy: -151.445 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: 4, replica: 9 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1633.613759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.613759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.613759 (E_RNA) where: Base-Base interactions energy: -1143.206 where: short stacking energy: -466.677 Base-Backbone interact. energy: -1.710 local terms energy: -488.698296 where: bonds (distance) C4'-P energy: -82.769 bonds (distance) P-C4' energy: -85.357 flat angles C4'-P-C4' energy: -102.644 flat angles P-C4'-P energy: -77.411 tors. eta vs tors. theta energy: -140.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1598.618719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.618719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.618719 (E_RNA) where: Base-Base interactions energy: -1150.226 where: short stacking energy: -439.864 Base-Backbone interact. energy: 0.229 local terms energy: -448.621742 where: bonds (distance) C4'-P energy: -68.600 bonds (distance) P-C4' energy: -85.744 flat angles C4'-P-C4' energy: -91.579 flat angles P-C4'-P energy: -70.111 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: 6, replica: 4 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1462.655071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.655071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.655071 (E_RNA) where: Base-Base interactions energy: -1031.311 where: short stacking energy: -385.130 Base-Backbone interact. energy: -1.045 local terms energy: -430.298733 where: bonds (distance) C4'-P energy: -82.932 bonds (distance) P-C4' energy: -86.582 flat angles C4'-P-C4' energy: -89.889 flat angles P-C4'-P energy: -61.177 tors. eta vs tors. theta energy: -109.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1261.797413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.797413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.797413 (E_RNA) where: Base-Base interactions energy: -854.100 where: short stacking energy: -360.939 Base-Backbone interact. energy: -1.392 local terms energy: -406.305181 where: bonds (distance) C4'-P energy: -84.158 bonds (distance) P-C4' energy: -77.704 flat angles C4'-P-C4' energy: -90.122 flat angles P-C4'-P energy: -64.600 tors. eta vs tors. theta energy: -89.722 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: 8 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1092.433609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.433609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.433609 (E_RNA) where: Base-Base interactions energy: -729.792 where: short stacking energy: -311.782 Base-Backbone interact. energy: 2.620 local terms energy: -365.260704 where: bonds (distance) C4'-P energy: -73.660 bonds (distance) P-C4' energy: -80.708 flat angles C4'-P-C4' energy: -87.360 flat angles P-C4'-P energy: -41.195 tors. eta vs tors. theta energy: -82.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -1003.261845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.261845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.261845 (E_RNA) where: Base-Base interactions energy: -620.922 where: short stacking energy: -279.874 Base-Backbone interact. energy: -0.726 local terms energy: -381.613783 where: bonds (distance) C4'-P energy: -86.724 bonds (distance) P-C4' energy: -87.401 flat angles C4'-P-C4' energy: -82.182 flat angles P-C4'-P energy: -61.024 tors. eta vs tors. theta energy: -64.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -636.631833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.631833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.631833 (E_RNA) where: Base-Base interactions energy: -362.907 where: short stacking energy: -184.318 Base-Backbone interact. energy: -2.663 local terms energy: -271.061865 where: bonds (distance) C4'-P energy: -76.863 bonds (distance) P-C4' energy: -79.413 flat angles C4'-P-C4' energy: -66.716 flat angles P-C4'-P energy: -29.978 tors. eta vs tors. theta energy: -18.093 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: 216 Temperature: 0.900000 Total energy: -1815.009898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.009898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.009898 (E_RNA) where: Base-Base interactions energy: -1283.885 where: short stacking energy: -511.109 Base-Backbone interact. energy: -2.750 local terms energy: -528.374763 where: bonds (distance) C4'-P energy: -90.954 bonds (distance) P-C4' energy: -99.752 flat angles C4'-P-C4' energy: -114.689 flat angles P-C4'-P energy: -65.214 tors. eta vs tors. theta energy: -157.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1796.264046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.264046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.264046 (E_RNA) where: Base-Base interactions energy: -1256.674 where: short stacking energy: -516.879 Base-Backbone interact. energy: -2.155 local terms energy: -537.435732 where: bonds (distance) C4'-P energy: -83.477 bonds (distance) P-C4' energy: -92.729 flat angles C4'-P-C4' energy: -120.358 flat angles P-C4'-P energy: -73.079 tors. eta vs tors. theta energy: -167.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1709.866322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.866322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.866322 (E_RNA) where: Base-Base interactions energy: -1220.039 where: short stacking energy: -476.376 Base-Backbone interact. energy: -0.364 local terms energy: -489.462609 where: bonds (distance) C4'-P energy: -81.390 bonds (distance) P-C4' energy: -86.851 flat angles C4'-P-C4' energy: -107.922 flat angles P-C4'-P energy: -73.771 tors. eta vs tors. theta energy: -139.528 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: 9 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1633.898157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.898157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.898157 (E_RNA) where: Base-Base interactions energy: -1125.833 where: short stacking energy: -450.492 Base-Backbone interact. energy: -1.662 local terms energy: -506.403737 where: bonds (distance) C4'-P energy: -84.732 bonds (distance) P-C4' energy: -91.419 flat angles C4'-P-C4' energy: -101.829 flat angles P-C4'-P energy: -83.098 tors. eta vs tors. theta energy: -145.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1611.076923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.076923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.076923 (E_RNA) where: Base-Base interactions energy: -1151.174 where: short stacking energy: -462.342 Base-Backbone interact. energy: -1.562 local terms energy: -458.340661 where: bonds (distance) C4'-P energy: -81.887 bonds (distance) P-C4' energy: -90.280 flat angles C4'-P-C4' energy: -94.102 flat angles P-C4'-P energy: -55.803 tors. eta vs tors. theta energy: -136.269 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: 4 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1467.502414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.502414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.502414 (E_RNA) where: Base-Base interactions energy: -1013.650 where: short stacking energy: -409.427 Base-Backbone interact. energy: 2.625 local terms energy: -456.477163 where: bonds (distance) C4'-P energy: -84.593 bonds (distance) P-C4' energy: -82.092 flat angles C4'-P-C4' energy: -105.388 flat angles P-C4'-P energy: -69.140 tors. eta vs tors. theta energy: -115.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1288.478743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.478743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.478743 (E_RNA) where: Base-Base interactions energy: -853.410 where: short stacking energy: -368.764 Base-Backbone interact. energy: -3.215 local terms energy: -431.852947 where: bonds (distance) C4'-P energy: -76.414 bonds (distance) P-C4' energy: -95.477 flat angles C4'-P-C4' energy: -96.377 flat angles P-C4'-P energy: -63.860 tors. eta vs tors. theta energy: -99.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1132.538155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.538155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.538155 (E_RNA) where: Base-Base interactions energy: -787.469 where: short stacking energy: -312.160 Base-Backbone interact. energy: 0.186 local terms energy: -345.255307 where: bonds (distance) C4'-P energy: -69.635 bonds (distance) P-C4' energy: -56.541 flat angles C4'-P-C4' energy: -90.171 flat angles P-C4'-P energy: -58.299 tors. eta vs tors. theta energy: -70.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -1005.026522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.026522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.026522 (E_RNA) where: Base-Base interactions energy: -632.653 where: short stacking energy: -262.621 Base-Backbone interact. energy: 0.013 local terms energy: -372.385924 where: bonds (distance) C4'-P energy: -87.590 bonds (distance) P-C4' energy: -80.762 flat angles C4'-P-C4' energy: -95.919 flat angles P-C4'-P energy: -51.988 tors. eta vs tors. theta energy: -56.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -619.795571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.795571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.795571 (E_RNA) where: Base-Base interactions energy: -332.009 where: short stacking energy: -188.941 Base-Backbone interact. energy: 1.395 local terms energy: -289.181602 where: bonds (distance) C4'-P energy: -69.632 bonds (distance) P-C4' energy: -69.107 flat angles C4'-P-C4' energy: -81.156 flat angles P-C4'-P energy: -54.796 tors. eta vs tors. theta energy: -14.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1827.627441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.627441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.627441 (E_RNA) where: Base-Base interactions energy: -1277.450 where: short stacking energy: -507.756 Base-Backbone interact. energy: -2.024 local terms energy: -548.152855 where: bonds (distance) C4'-P energy: -91.722 bonds (distance) P-C4' energy: -98.234 flat angles C4'-P-C4' energy: -117.587 flat angles P-C4'-P energy: -81.644 tors. eta vs tors. theta energy: -158.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -1819.237306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.237306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.237306 (E_RNA) where: Base-Base interactions energy: -1268.790 where: short stacking energy: -534.343 Base-Backbone interact. energy: -0.456 local terms energy: -549.991516 where: bonds (distance) C4'-P energy: -96.613 bonds (distance) P-C4' energy: -86.619 flat angles C4'-P-C4' energy: -114.215 flat angles P-C4'-P energy: -85.050 tors. eta vs tors. theta energy: -167.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1703.715049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.715049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.715049 (E_RNA) where: Base-Base interactions energy: -1190.486 where: short stacking energy: -472.596 Base-Backbone interact. energy: -3.364 local terms energy: -509.865234 where: bonds (distance) C4'-P energy: -87.992 bonds (distance) P-C4' energy: -101.632 flat angles C4'-P-C4' energy: -107.016 flat angles P-C4'-P energy: -71.706 tors. eta vs tors. theta energy: -141.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1614.191432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.191432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.191432 (E_RNA) where: Base-Base interactions energy: -1145.877 where: short stacking energy: -464.619 Base-Backbone interact. energy: -0.261 local terms energy: -468.053624 where: bonds (distance) C4'-P energy: -83.930 bonds (distance) P-C4' energy: -78.131 flat angles C4'-P-C4' energy: -91.627 flat angles P-C4'-P energy: -64.481 tors. eta vs tors. theta energy: -149.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1655.062613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.062613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.062613 (E_RNA) where: Base-Base interactions energy: -1167.080 where: short stacking energy: -458.780 Base-Backbone interact. energy: -1.712 local terms energy: -486.270571 where: bonds (distance) C4'-P energy: -75.758 bonds (distance) P-C4' energy: -86.742 flat angles C4'-P-C4' energy: -97.770 flat angles P-C4'-P energy: -77.953 tors. eta vs tors. theta energy: -148.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1446.189403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.189403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.189403 (E_RNA) where: Base-Base interactions energy: -1028.645 where: short stacking energy: -388.819 Base-Backbone interact. energy: -2.482 local terms energy: -415.062394 where: bonds (distance) C4'-P energy: -78.960 bonds (distance) P-C4' energy: -71.811 flat angles C4'-P-C4' energy: -88.237 flat angles P-C4'-P energy: -63.373 tors. eta vs tors. theta energy: -112.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1262.093845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.093845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.093845 (E_RNA) where: Base-Base interactions energy: -846.663 where: short stacking energy: -351.762 Base-Backbone interact. energy: 0.543 local terms energy: -415.973274 where: bonds (distance) C4'-P energy: -85.045 bonds (distance) P-C4' energy: -83.867 flat angles C4'-P-C4' energy: -98.095 flat angles P-C4'-P energy: -50.845 tors. eta vs tors. theta energy: -98.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1114.813209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.813209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.813209 (E_RNA) where: Base-Base interactions energy: -743.595 where: short stacking energy: -306.040 Base-Backbone interact. energy: -1.876 local terms energy: -369.342449 where: bonds (distance) C4'-P energy: -76.027 bonds (distance) P-C4' energy: -80.008 flat angles C4'-P-C4' energy: -80.590 flat angles P-C4'-P energy: -48.764 tors. eta vs tors. theta energy: -83.952 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: 2 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -986.007453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.007453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.007453 (E_RNA) where: Base-Base interactions energy: -626.937 where: short stacking energy: -285.778 Base-Backbone interact. energy: -2.689 local terms energy: -356.381842 where: bonds (distance) C4'-P energy: -79.921 bonds (distance) P-C4' energy: -77.100 flat angles C4'-P-C4' energy: -83.119 flat angles P-C4'-P energy: -42.431 tors. eta vs tors. theta energy: -73.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -581.212680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.212680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.212680 (E_RNA) where: Base-Base interactions energy: -296.513 where: short stacking energy: -165.157 Base-Backbone interact. energy: -0.145 local terms energy: -284.554681 where: bonds (distance) C4'-P energy: -70.830 bonds (distance) P-C4' energy: -75.814 flat angles C4'-P-C4' energy: -76.496 flat angles P-C4'-P energy: -40.976 tors. eta vs tors. theta energy: -20.439 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: 1, replica: 1 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1850.413124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.413124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.413124 (E_RNA) where: Base-Base interactions energy: -1291.399 where: short stacking energy: -534.502 Base-Backbone interact. energy: -0.606 local terms energy: -558.407514 where: bonds (distance) C4'-P energy: -101.939 bonds (distance) P-C4' energy: -102.258 flat angles C4'-P-C4' energy: -120.304 flat angles P-C4'-P energy: -74.008 tors. eta vs tors. theta energy: -159.899 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: 3 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -1790.806218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.806218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.806218 (E_RNA) where: Base-Base interactions energy: -1260.604 where: short stacking energy: -505.169 Base-Backbone interact. energy: -1.660 local terms energy: -528.541983 where: bonds (distance) C4'-P energy: -89.930 bonds (distance) P-C4' energy: -82.483 flat angles C4'-P-C4' energy: -111.843 flat angles P-C4'-P energy: -80.636 tors. eta vs tors. theta energy: -163.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1714.481266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.481266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.481266 (E_RNA) where: Base-Base interactions energy: -1201.039 where: short stacking energy: -491.379 Base-Backbone interact. energy: -2.778 local terms energy: -510.663597 where: bonds (distance) C4'-P energy: -85.925 bonds (distance) P-C4' energy: -90.343 flat angles C4'-P-C4' energy: -113.009 flat angles P-C4'-P energy: -69.602 tors. eta vs tors. theta energy: -151.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1662.981395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.981395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.981395 (E_RNA) where: Base-Base interactions energy: -1172.919 where: short stacking energy: -477.326 Base-Backbone interact. energy: 2.139 local terms energy: -492.201553 where: bonds (distance) C4'-P energy: -87.155 bonds (distance) P-C4' energy: -83.720 flat angles C4'-P-C4' energy: -99.891 flat angles P-C4'-P energy: -73.973 tors. eta vs tors. theta energy: -147.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1643.904275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.904275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.904275 (E_RNA) where: Base-Base interactions energy: -1169.542 where: short stacking energy: -462.125 Base-Backbone interact. energy: 1.519 local terms energy: -475.881153 where: bonds (distance) C4'-P energy: -80.959 bonds (distance) P-C4' energy: -82.715 flat angles C4'-P-C4' energy: -102.157 flat angles P-C4'-P energy: -71.648 tors. eta vs tors. theta energy: -138.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1456.048505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.048505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.048505 (E_RNA) where: Base-Base interactions energy: -1032.088 where: short stacking energy: -390.857 Base-Backbone interact. energy: -0.479 local terms energy: -423.481295 where: bonds (distance) C4'-P energy: -82.997 bonds (distance) P-C4' energy: -75.796 flat angles C4'-P-C4' energy: -86.977 flat angles P-C4'-P energy: -66.467 tors. eta vs tors. theta energy: -111.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1304.375325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.375325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.375325 (E_RNA) where: Base-Base interactions energy: -882.391 where: short stacking energy: -375.286 Base-Backbone interact. energy: -0.771 local terms energy: -421.213637 where: bonds (distance) C4'-P energy: -76.886 bonds (distance) P-C4' energy: -76.935 flat angles C4'-P-C4' energy: -108.752 flat angles P-C4'-P energy: -62.461 tors. eta vs tors. theta energy: -96.181 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: 8, replica: 8 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1171.576305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.576305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.576305 (E_RNA) where: Base-Base interactions energy: -809.989 where: short stacking energy: -324.307 Base-Backbone interact. energy: -0.246 local terms energy: -361.341621 where: bonds (distance) C4'-P energy: -71.108 bonds (distance) P-C4' energy: -73.257 flat angles C4'-P-C4' energy: -84.711 flat angles P-C4'-P energy: -50.544 tors. eta vs tors. theta energy: -81.722 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: 9, replica: 2 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -848.463698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.463698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.463698 (E_RNA) where: Base-Base interactions energy: -563.421 where: short stacking energy: -245.752 Base-Backbone interact. energy: -0.852 local terms energy: -284.190180 where: bonds (distance) C4'-P energy: -59.681 bonds (distance) P-C4' energy: -82.041 flat angles C4'-P-C4' energy: -66.561 flat angles P-C4'-P energy: -35.866 tors. eta vs tors. theta energy: -40.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -620.980703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.980703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.980703 (E_RNA) where: Base-Base interactions energy: -323.458 where: short stacking energy: -165.754 Base-Backbone interact. energy: -1.277 local terms energy: -296.246305 where: bonds (distance) C4'-P energy: -72.212 bonds (distance) P-C4' energy: -82.657 flat angles C4'-P-C4' energy: -82.302 flat angles P-C4'-P energy: -48.391 tors. eta vs tors. theta energy: -10.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1835.923962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.923962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.923962 (E_RNA) where: Base-Base interactions energy: -1290.284 where: short stacking energy: -518.867 Base-Backbone interact. energy: -2.160 local terms energy: -543.479596 where: bonds (distance) C4'-P energy: -99.152 bonds (distance) P-C4' energy: -95.884 flat angles C4'-P-C4' energy: -119.196 flat angles P-C4'-P energy: -72.780 tors. eta vs tors. theta energy: -156.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1738.145435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.145435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.145435 (E_RNA) where: Base-Base interactions energy: -1201.966 where: short stacking energy: -487.283 Base-Backbone interact. energy: -0.957 local terms energy: -535.222163 where: bonds (distance) C4'-P energy: -100.620 bonds (distance) P-C4' energy: -96.180 flat angles C4'-P-C4' energy: -116.480 flat angles P-C4'-P energy: -73.791 tors. eta vs tors. theta energy: -148.152 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: 3, replica: 3 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1761.566139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.566139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.566139 (E_RNA) where: Base-Base interactions energy: -1236.530 where: short stacking energy: -512.827 Base-Backbone interact. energy: 5.102 local terms energy: -530.138379 where: bonds (distance) C4'-P energy: -92.856 bonds (distance) P-C4' energy: -93.967 flat angles C4'-P-C4' energy: -115.547 flat angles P-C4'-P energy: -70.038 tors. eta vs tors. theta energy: -157.731 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: 219 Temperature: 1.050000 Total energy: -1649.745784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.745784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.745784 (E_RNA) where: Base-Base interactions energy: -1163.145 where: short stacking energy: -471.899 Base-Backbone interact. energy: -1.419 local terms energy: -485.181134 where: bonds (distance) C4'-P energy: -84.002 bonds (distance) P-C4' energy: -89.354 flat angles C4'-P-C4' energy: -101.817 flat angles P-C4'-P energy: -66.492 tors. eta vs tors. theta energy: -143.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1660.301322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.301322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.301322 (E_RNA) where: Base-Base interactions energy: -1165.925 where: short stacking energy: -473.743 Base-Backbone interact. energy: -0.979 local terms energy: -493.397647 where: bonds (distance) C4'-P energy: -84.275 bonds (distance) P-C4' energy: -79.956 flat angles C4'-P-C4' energy: -109.054 flat angles P-C4'-P energy: -73.176 tors. eta vs tors. theta energy: -146.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1483.069858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.069858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.069858 (E_RNA) where: Base-Base interactions energy: -1017.609 where: short stacking energy: -417.479 Base-Backbone interact. energy: -0.273 local terms energy: -465.187824 where: bonds (distance) C4'-P energy: -91.453 bonds (distance) P-C4' energy: -72.781 flat angles C4'-P-C4' energy: -109.395 flat angles P-C4'-P energy: -65.340 tors. eta vs tors. theta energy: -126.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1277.710427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.710427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.710427 (E_RNA) where: Base-Base interactions energy: -856.504 where: short stacking energy: -359.477 Base-Backbone interact. energy: 1.283 local terms energy: -422.489686 where: bonds (distance) C4'-P energy: -90.081 bonds (distance) P-C4' energy: -87.299 flat angles C4'-P-C4' energy: -88.755 flat angles P-C4'-P energy: -71.108 tors. eta vs tors. theta energy: -85.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1211.325884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.325884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.325884 (E_RNA) where: Base-Base interactions energy: -821.253 where: short stacking energy: -346.360 Base-Backbone interact. energy: 5.021 local terms energy: -395.093662 where: bonds (distance) C4'-P energy: -78.016 bonds (distance) P-C4' energy: -89.278 flat angles C4'-P-C4' energy: -88.120 flat angles P-C4'-P energy: -43.013 tors. eta vs tors. theta energy: -96.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -905.010699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.010699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.010699 (E_RNA) where: Base-Base interactions energy: -572.024 where: short stacking energy: -259.677 Base-Backbone interact. energy: 1.337 local terms energy: -334.324228 where: bonds (distance) C4'-P energy: -79.738 bonds (distance) P-C4' energy: -84.463 flat angles C4'-P-C4' energy: -73.062 flat angles P-C4'-P energy: -46.499 tors. eta vs tors. theta energy: -50.562 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: 219 Temperature: 1.350000 Total energy: -575.740710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.740710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.740710 (E_RNA) where: Base-Base interactions energy: -334.566 where: short stacking energy: -167.880 Base-Backbone interact. energy: 0.288 local terms energy: -241.462132 where: bonds (distance) C4'-P energy: -65.110 bonds (distance) P-C4' energy: -82.141 flat angles C4'-P-C4' energy: -50.397 flat angles P-C4'-P energy: -44.785 tors. eta vs tors. theta energy: 0.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1855.404803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.404803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.404803 (E_RNA) where: Base-Base interactions energy: -1323.122 where: short stacking energy: -530.777 Base-Backbone interact. energy: 1.893 local terms energy: -534.175794 where: bonds (distance) C4'-P energy: -92.926 bonds (distance) P-C4' energy: -90.536 flat angles C4'-P-C4' energy: -111.632 flat angles P-C4'-P energy: -76.793 tors. eta vs tors. theta energy: -162.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -1734.995342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.995342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.995342 (E_RNA) where: Base-Base interactions energy: -1217.608 where: short stacking energy: -503.026 Base-Backbone interact. energy: 1.093 local terms energy: -518.480908 where: bonds (distance) C4'-P energy: -107.052 bonds (distance) P-C4' energy: -83.062 flat angles C4'-P-C4' energy: -103.600 flat angles P-C4'-P energy: -72.119 tors. eta vs tors. theta energy: -152.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1778.306955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.306955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.306955 (E_RNA) where: Base-Base interactions energy: -1266.838 where: short stacking energy: -527.888 Base-Backbone interact. energy: -1.856 local terms energy: -509.612621 where: bonds (distance) C4'-P energy: -85.264 bonds (distance) P-C4' energy: -87.773 flat angles C4'-P-C4' energy: -109.679 flat angles P-C4'-P energy: -71.736 tors. eta vs tors. theta energy: -155.160 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: 4, replica: 9 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1641.983340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.983340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.983340 (E_RNA) where: Base-Base interactions energy: -1130.877 where: short stacking energy: -449.190 Base-Backbone interact. energy: -0.576 local terms energy: -510.529670 where: bonds (distance) C4'-P energy: -92.185 bonds (distance) P-C4' energy: -95.236 flat angles C4'-P-C4' energy: -108.493 flat angles P-C4'-P energy: -76.265 tors. eta vs tors. theta energy: -138.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1628.655131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.655131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.655131 (E_RNA) where: Base-Base interactions energy: -1159.491 where: short stacking energy: -443.263 Base-Backbone interact. energy: -3.318 local terms energy: -465.846665 where: bonds (distance) C4'-P energy: -85.746 bonds (distance) P-C4' energy: -95.810 flat angles C4'-P-C4' energy: -90.298 flat angles P-C4'-P energy: -54.887 tors. eta vs tors. theta energy: -139.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1432.797707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.797707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.797707 (E_RNA) where: Base-Base interactions energy: -1019.824 where: short stacking energy: -407.942 Base-Backbone interact. energy: -0.092 local terms energy: -412.881937 where: bonds (distance) C4'-P energy: -69.184 bonds (distance) P-C4' energy: -76.918 flat angles C4'-P-C4' energy: -97.643 flat angles P-C4'-P energy: -56.378 tors. eta vs tors. theta energy: -112.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1258.710001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.710001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.710001 (E_RNA) where: Base-Base interactions energy: -848.888 where: short stacking energy: -348.241 Base-Backbone interact. energy: -1.280 local terms energy: -408.541518 where: bonds (distance) C4'-P energy: -82.484 bonds (distance) P-C4' energy: -80.825 flat angles C4'-P-C4' energy: -96.378 flat angles P-C4'-P energy: -65.559 tors. eta vs tors. theta energy: -83.295 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: 8 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1175.041410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.041410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.041410 (E_RNA) where: Base-Base interactions energy: -786.716 where: short stacking energy: -353.469 Base-Backbone interact. energy: 0.412 local terms energy: -388.736956 where: bonds (distance) C4'-P energy: -76.652 bonds (distance) P-C4' energy: -73.735 flat angles C4'-P-C4' energy: -85.281 flat angles P-C4'-P energy: -49.261 tors. eta vs tors. theta energy: -103.809 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: 2 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -880.601523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.601523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.601523 (E_RNA) where: Base-Base interactions energy: -545.242 where: short stacking energy: -235.972 Base-Backbone interact. energy: -1.282 local terms energy: -334.077314 where: bonds (distance) C4'-P energy: -65.272 bonds (distance) P-C4' energy: -90.063 flat angles C4'-P-C4' energy: -78.940 flat angles P-C4'-P energy: -53.237 tors. eta vs tors. theta energy: -46.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -641.976129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.976129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.976129 (E_RNA) where: Base-Base interactions energy: -369.114 where: short stacking energy: -159.853 Base-Backbone interact. energy: 0.133 local terms energy: -272.994736 where: bonds (distance) C4'-P energy: -69.960 bonds (distance) P-C4' energy: -79.522 flat angles C4'-P-C4' energy: -74.615 flat angles P-C4'-P energy: -39.374 tors. eta vs tors. theta energy: -9.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1833.239651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.239651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.239651 (E_RNA) where: Base-Base interactions energy: -1292.186 where: short stacking energy: -512.901 Base-Backbone interact. energy: -3.393 local terms energy: -537.660275 where: bonds (distance) C4'-P energy: -99.402 bonds (distance) P-C4' energy: -99.219 flat angles C4'-P-C4' energy: -105.000 flat angles P-C4'-P energy: -75.698 tors. eta vs tors. theta energy: -158.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1784.859645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.859645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.859645 (E_RNA) where: Base-Base interactions energy: -1240.685 where: short stacking energy: -486.724 Base-Backbone interact. energy: -1.696 local terms energy: -542.478580 where: bonds (distance) C4'-P energy: -90.460 bonds (distance) P-C4' energy: -90.089 flat angles C4'-P-C4' energy: -117.326 flat angles P-C4'-P energy: -81.067 tors. eta vs tors. theta energy: -163.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1689.685412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.685412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.685412 (E_RNA) where: Base-Base interactions energy: -1193.864 where: short stacking energy: -484.459 Base-Backbone interact. energy: -1.711 local terms energy: -494.110157 where: bonds (distance) C4'-P energy: -93.430 bonds (distance) P-C4' energy: -80.946 flat angles C4'-P-C4' energy: -101.179 flat angles P-C4'-P energy: -71.812 tors. eta vs tors. theta energy: -146.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1639.160894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.160894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.160894 (E_RNA) where: Base-Base interactions energy: -1154.382 where: short stacking energy: -472.750 Base-Backbone interact. energy: -0.346 local terms energy: -484.432884 where: bonds (distance) C4'-P energy: -77.611 bonds (distance) P-C4' energy: -83.016 flat angles C4'-P-C4' energy: -107.885 flat angles P-C4'-P energy: -72.380 tors. eta vs tors. theta energy: -143.541 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: 9 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1620.557081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.557081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.557081 (E_RNA) where: Base-Base interactions energy: -1129.715 where: short stacking energy: -450.248 Base-Backbone interact. energy: 2.183 local terms energy: -493.025108 where: bonds (distance) C4'-P energy: -88.363 bonds (distance) P-C4' energy: -80.752 flat angles C4'-P-C4' energy: -102.803 flat angles P-C4'-P energy: -72.386 tors. eta vs tors. theta energy: -148.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1404.459665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.459665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.459665 (E_RNA) where: Base-Base interactions energy: -967.543 where: short stacking energy: -392.458 Base-Backbone interact. energy: 2.069 local terms energy: -438.985975 where: bonds (distance) C4'-P energy: -94.921 bonds (distance) P-C4' energy: -82.090 flat angles C4'-P-C4' energy: -92.039 flat angles P-C4'-P energy: -58.163 tors. eta vs tors. theta energy: -111.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1281.474653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.474653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.474653 (E_RNA) where: Base-Base interactions energy: -847.852 where: short stacking energy: -362.316 Base-Backbone interact. energy: -0.815 local terms energy: -432.807868 where: bonds (distance) C4'-P energy: -82.317 bonds (distance) P-C4' energy: -89.465 flat angles C4'-P-C4' energy: -97.479 flat angles P-C4'-P energy: -57.207 tors. eta vs tors. theta energy: -106.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1215.578245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.578245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.578245 (E_RNA) where: Base-Base interactions energy: -823.463 where: short stacking energy: -346.396 Base-Backbone interact. energy: 3.939 local terms energy: -396.054118 where: bonds (distance) C4'-P energy: -77.730 bonds (distance) P-C4' energy: -87.340 flat angles C4'-P-C4' energy: -95.244 flat angles P-C4'-P energy: -53.929 tors. eta vs tors. theta energy: -81.811 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: 9, replica: 2 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -853.160940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.160940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.160940 (E_RNA) where: Base-Base interactions energy: -501.252 where: short stacking energy: -230.947 Base-Backbone interact. energy: -0.245 local terms energy: -351.663598 where: bonds (distance) C4'-P energy: -88.306 bonds (distance) P-C4' energy: -100.612 flat angles C4'-P-C4' energy: -63.528 flat angles P-C4'-P energy: -44.089 tors. eta vs tors. theta energy: -55.128 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: 221 Temperature: 1.350000 Total energy: -594.058651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.058651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.058651 (E_RNA) where: Base-Base interactions energy: -323.076 where: short stacking energy: -164.161 Base-Backbone interact. energy: 1.940 local terms energy: -272.922288 where: bonds (distance) C4'-P energy: -73.415 bonds (distance) P-C4' energy: -81.106 flat angles C4'-P-C4' energy: -64.671 flat angles P-C4'-P energy: -51.750 tors. eta vs tors. theta energy: -1.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1836.293369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.293369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.293369 (E_RNA) where: Base-Base interactions energy: -1290.031 where: short stacking energy: -529.958 Base-Backbone interact. energy: -1.924 local terms energy: -544.338752 where: bonds (distance) C4'-P energy: -87.549 bonds (distance) P-C4' energy: -91.347 flat angles C4'-P-C4' energy: -119.736 flat angles P-C4'-P energy: -79.577 tors. eta vs tors. theta energy: -166.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1809.466292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.466292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.466292 (E_RNA) where: Base-Base interactions energy: -1262.456 where: short stacking energy: -481.852 Base-Backbone interact. energy: 2.973 local terms energy: -549.982486 where: bonds (distance) C4'-P energy: -89.146 bonds (distance) P-C4' energy: -107.584 flat angles C4'-P-C4' energy: -114.135 flat angles P-C4'-P energy: -86.470 tors. eta vs tors. theta energy: -152.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1695.058685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.058685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.058685 (E_RNA) where: Base-Base interactions energy: -1182.566 where: short stacking energy: -480.111 Base-Backbone interact. energy: -1.529 local terms energy: -510.964600 where: bonds (distance) C4'-P energy: -95.638 bonds (distance) P-C4' energy: -92.183 flat angles C4'-P-C4' energy: -110.107 flat angles P-C4'-P energy: -65.808 tors. eta vs tors. theta energy: -147.229 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: 222 Temperature: 1.050000 Total energy: -1678.675357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.675357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.675357 (E_RNA) where: Base-Base interactions energy: -1192.031 where: short stacking energy: -477.983 Base-Backbone interact. energy: 0.625 local terms energy: -487.269797 where: bonds (distance) C4'-P energy: -79.544 bonds (distance) P-C4' energy: -92.362 flat angles C4'-P-C4' energy: -99.483 flat angles P-C4'-P energy: -66.117 tors. eta vs tors. theta energy: -149.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -1570.691626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.691626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.691626 (E_RNA) where: Base-Base interactions energy: -1077.266 where: short stacking energy: -437.078 Base-Backbone interact. energy: -1.478 local terms energy: -491.947307 where: bonds (distance) C4'-P energy: -85.959 bonds (distance) P-C4' energy: -94.392 flat angles C4'-P-C4' energy: -109.328 flat angles P-C4'-P energy: -71.169 tors. eta vs tors. theta energy: -131.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1420.268807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.268807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.268807 (E_RNA) where: Base-Base interactions energy: -1011.877 where: short stacking energy: -415.968 Base-Backbone interact. energy: 3.408 local terms energy: -411.800076 where: bonds (distance) C4'-P energy: -68.274 bonds (distance) P-C4' energy: -82.432 flat angles C4'-P-C4' energy: -93.420 flat angles P-C4'-P energy: -45.144 tors. eta vs tors. theta energy: -122.531 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: 7, replica: 8 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1224.572380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.572380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.572380 (E_RNA) where: Base-Base interactions energy: -804.596 where: short stacking energy: -332.934 Base-Backbone interact. energy: -0.199 local terms energy: -419.777529 where: bonds (distance) C4'-P energy: -91.298 bonds (distance) P-C4' energy: -89.599 flat angles C4'-P-C4' energy: -88.462 flat angles P-C4'-P energy: -67.471 tors. eta vs tors. theta energy: -82.947 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: 10 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1239.305576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.305576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.305576 (E_RNA) where: Base-Base interactions energy: -837.909 where: short stacking energy: -352.500 Base-Backbone interact. energy: -1.825 local terms energy: -399.570935 where: bonds (distance) C4'-P energy: -84.100 bonds (distance) P-C4' energy: -80.124 flat angles C4'-P-C4' energy: -76.982 flat angles P-C4'-P energy: -68.248 tors. eta vs tors. theta energy: -90.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -885.982474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.982474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.982474 (E_RNA) where: Base-Base interactions energy: -522.872 where: short stacking energy: -240.166 Base-Backbone interact. energy: 1.909 local terms energy: -365.019729 where: bonds (distance) C4'-P energy: -87.144 bonds (distance) P-C4' energy: -87.103 flat angles C4'-P-C4' energy: -91.265 flat angles P-C4'-P energy: -43.827 tors. eta vs tors. theta energy: -55.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -554.977261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.977261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.977261 (E_RNA) where: Base-Base interactions energy: -286.723 where: short stacking energy: -141.108 Base-Backbone interact. energy: -0.257 local terms energy: -267.997045 where: bonds (distance) C4'-P energy: -68.338 bonds (distance) P-C4' energy: -89.105 flat angles C4'-P-C4' energy: -70.637 flat angles P-C4'-P energy: -26.153 tors. eta vs tors. theta energy: -13.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1827.321132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.321132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.321132 (E_RNA) where: Base-Base interactions energy: -1275.052 where: short stacking energy: -523.107 Base-Backbone interact. energy: -2.395 local terms energy: -549.873745 where: bonds (distance) C4'-P energy: -98.258 bonds (distance) P-C4' energy: -97.104 flat angles C4'-P-C4' energy: -111.764 flat angles P-C4'-P energy: -79.672 tors. eta vs tors. theta energy: -163.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1810.017386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.017386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.017386 (E_RNA) where: Base-Base interactions energy: -1275.814 where: short stacking energy: -515.521 Base-Backbone interact. energy: 0.778 local terms energy: -534.980723 where: bonds (distance) C4'-P energy: -89.822 bonds (distance) P-C4' energy: -88.512 flat angles C4'-P-C4' energy: -114.438 flat angles P-C4'-P energy: -82.937 tors. eta vs tors. theta energy: -159.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1702.545538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.545538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.545538 (E_RNA) where: Base-Base interactions energy: -1184.365 where: short stacking energy: -471.572 Base-Backbone interact. energy: -2.459 local terms energy: -515.721862 where: bonds (distance) C4'-P energy: -95.154 bonds (distance) P-C4' energy: -97.318 flat angles C4'-P-C4' energy: -103.355 flat angles P-C4'-P energy: -72.115 tors. eta vs tors. theta energy: -147.779 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: 4, replica: 5 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1662.895272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.895272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.895272 (E_RNA) where: Base-Base interactions energy: -1170.893 where: short stacking energy: -473.655 Base-Backbone interact. energy: -0.434 local terms energy: -491.567367 where: bonds (distance) C4'-P energy: -90.548 bonds (distance) P-C4' energy: -95.550 flat angles C4'-P-C4' energy: -102.414 flat angles P-C4'-P energy: -68.215 tors. eta vs tors. theta energy: -134.840 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: 9 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -1529.562323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.562323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.562323 (E_RNA) where: Base-Base interactions energy: -1045.427 where: short stacking energy: -440.446 Base-Backbone interact. energy: -0.497 local terms energy: -483.638299 where: bonds (distance) C4'-P energy: -83.565 bonds (distance) P-C4' energy: -92.314 flat angles C4'-P-C4' energy: -96.139 flat angles P-C4'-P energy: -71.914 tors. eta vs tors. theta energy: -139.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1411.274362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.274362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.274362 (E_RNA) where: Base-Base interactions energy: -977.273 where: short stacking energy: -383.496 Base-Backbone interact. energy: 2.273 local terms energy: -436.274324 where: bonds (distance) C4'-P energy: -79.864 bonds (distance) P-C4' energy: -92.555 flat angles C4'-P-C4' energy: -97.922 flat angles P-C4'-P energy: -61.142 tors. eta vs tors. theta energy: -104.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1219.871467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.871467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.871467 (E_RNA) where: Base-Base interactions energy: -824.261 where: short stacking energy: -342.990 Base-Backbone interact. energy: -0.670 local terms energy: -394.940508 where: bonds (distance) C4'-P energy: -83.664 bonds (distance) P-C4' energy: -82.622 flat angles C4'-P-C4' energy: -94.596 flat angles P-C4'-P energy: -42.778 tors. eta vs tors. theta energy: -91.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1255.215824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.215824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.215824 (E_RNA) where: Base-Base interactions energy: -871.417 where: short stacking energy: -344.237 Base-Backbone interact. energy: 3.971 local terms energy: -387.769791 where: bonds (distance) C4'-P energy: -76.741 bonds (distance) P-C4' energy: -76.467 flat angles C4'-P-C4' energy: -94.722 flat angles P-C4'-P energy: -54.601 tors. eta vs tors. theta energy: -85.239 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: 2 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -866.794868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.794868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.794868 (E_RNA) where: Base-Base interactions energy: -542.898 where: short stacking energy: -251.778 Base-Backbone interact. energy: -0.193 local terms energy: -323.703813 where: bonds (distance) C4'-P energy: -82.673 bonds (distance) P-C4' energy: -80.032 flat angles C4'-P-C4' energy: -80.271 flat angles P-C4'-P energy: -34.302 tors. eta vs tors. theta energy: -46.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -576.383534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.383534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.383534 (E_RNA) where: Base-Base interactions energy: -300.157 where: short stacking energy: -149.269 Base-Backbone interact. energy: 4.388 local terms energy: -280.614727 where: bonds (distance) C4'-P energy: -83.156 bonds (distance) P-C4' energy: -72.883 flat angles C4'-P-C4' energy: -70.907 flat angles P-C4'-P energy: -52.045 tors. eta vs tors. theta energy: -1.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1842.259999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.259999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.259999 (E_RNA) where: Base-Base interactions energy: -1278.253 where: short stacking energy: -531.266 Base-Backbone interact. energy: -0.849 local terms energy: -563.157780 where: bonds (distance) C4'-P energy: -108.791 bonds (distance) P-C4' energy: -100.271 flat angles C4'-P-C4' energy: -103.582 flat angles P-C4'-P energy: -84.682 tors. eta vs tors. theta energy: -165.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1804.215055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.215055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.215055 (E_RNA) where: Base-Base interactions energy: -1259.885 where: short stacking energy: -492.426 Base-Backbone interact. energy: -1.348 local terms energy: -542.982217 where: bonds (distance) C4'-P energy: -95.325 bonds (distance) P-C4' energy: -98.259 flat angles C4'-P-C4' energy: -111.939 flat angles P-C4'-P energy: -82.133 tors. eta vs tors. theta energy: -155.327 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: 3, replica: 6 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1689.353895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.353895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.353895 (E_RNA) where: Base-Base interactions energy: -1181.921 where: short stacking energy: -472.167 Base-Backbone interact. energy: -2.061 local terms energy: -505.371492 where: bonds (distance) C4'-P energy: -91.593 bonds (distance) P-C4' energy: -96.108 flat angles C4'-P-C4' energy: -106.525 flat angles P-C4'-P energy: -69.687 tors. eta vs tors. theta energy: -141.458 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: 5 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1654.011916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.011916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.011916 (E_RNA) where: Base-Base interactions energy: -1161.668 where: short stacking energy: -452.015 Base-Backbone interact. energy: -1.716 local terms energy: -490.628596 where: bonds (distance) C4'-P energy: -72.763 bonds (distance) P-C4' energy: -102.084 flat angles C4'-P-C4' energy: -102.526 flat angles P-C4'-P energy: -73.564 tors. eta vs tors. theta energy: -139.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1557.597672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.597672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.597672 (E_RNA) where: Base-Base interactions energy: -1082.935 where: short stacking energy: -448.771 Base-Backbone interact. energy: -1.356 local terms energy: -473.307546 where: bonds (distance) C4'-P energy: -77.963 bonds (distance) P-C4' energy: -86.304 flat angles C4'-P-C4' energy: -104.900 flat angles P-C4'-P energy: -71.878 tors. eta vs tors. theta energy: -132.263 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: 4 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1433.483230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.483230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.483230 (E_RNA) where: Base-Base interactions energy: -1009.597 where: short stacking energy: -385.426 Base-Backbone interact. energy: 1.096 local terms energy: -424.982349 where: bonds (distance) C4'-P energy: -73.843 bonds (distance) P-C4' energy: -92.630 flat angles C4'-P-C4' energy: -102.186 flat angles P-C4'-P energy: -60.207 tors. eta vs tors. theta energy: -96.115 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: 10 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1302.979060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.979060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.979060 (E_RNA) where: Base-Base interactions energy: -917.452 where: short stacking energy: -368.735 Base-Backbone interact. energy: 6.700 local terms energy: -392.226679 where: bonds (distance) C4'-P energy: -73.592 bonds (distance) P-C4' energy: -76.303 flat angles C4'-P-C4' energy: -94.708 flat angles P-C4'-P energy: -54.867 tors. eta vs tors. theta energy: -92.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1192.115201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.115201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.115201 (E_RNA) where: Base-Base interactions energy: -812.427 where: short stacking energy: -338.362 Base-Backbone interact. energy: 4.837 local terms energy: -384.524580 where: bonds (distance) C4'-P energy: -84.346 bonds (distance) P-C4' energy: -82.826 flat angles C4'-P-C4' energy: -71.864 flat angles P-C4'-P energy: -52.664 tors. eta vs tors. theta energy: -92.824 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: 9, replica: 2 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -861.418307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.418307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.418307 (E_RNA) where: Base-Base interactions energy: -525.978 where: short stacking energy: -248.661 Base-Backbone interact. energy: -0.224 local terms energy: -335.216121 where: bonds (distance) C4'-P energy: -75.920 bonds (distance) P-C4' energy: -86.230 flat angles C4'-P-C4' energy: -76.134 flat angles P-C4'-P energy: -50.878 tors. eta vs tors. theta energy: -46.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -559.461148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.461148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.461148 (E_RNA) where: Base-Base interactions energy: -308.515 where: short stacking energy: -156.268 Base-Backbone interact. energy: 0.858 local terms energy: -251.804528 where: bonds (distance) C4'-P energy: -80.005 bonds (distance) P-C4' energy: -78.719 flat angles C4'-P-C4' energy: -57.389 flat angles P-C4'-P energy: -36.779 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: 1, replica: 3 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1820.075336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.075336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.075336 (E_RNA) where: Base-Base interactions energy: -1274.574 where: short stacking energy: -520.602 Base-Backbone interact. energy: 1.970 local terms energy: -547.471367 where: bonds (distance) C4'-P energy: -101.502 bonds (distance) P-C4' energy: -92.696 flat angles C4'-P-C4' energy: -118.993 flat angles P-C4'-P energy: -76.646 tors. eta vs tors. theta energy: -157.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1788.803643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.803643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.803643 (E_RNA) where: Base-Base interactions energy: -1282.001 where: short stacking energy: -505.766 Base-Backbone interact. energy: -2.860 local terms energy: -503.942926 where: bonds (distance) C4'-P energy: -83.546 bonds (distance) P-C4' energy: -88.456 flat angles C4'-P-C4' energy: -108.980 flat angles P-C4'-P energy: -67.891 tors. eta vs tors. theta energy: -155.070 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: 6 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1707.161999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.161999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.161999 (E_RNA) where: Base-Base interactions energy: -1197.342 where: short stacking energy: -486.074 Base-Backbone interact. energy: -1.162 local terms energy: -508.658159 where: bonds (distance) C4'-P energy: -91.396 bonds (distance) P-C4' energy: -89.321 flat angles C4'-P-C4' energy: -109.351 flat angles P-C4'-P energy: -70.301 tors. eta vs tors. theta energy: -148.288 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: 5 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1659.850172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.850172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.850172 (E_RNA) where: Base-Base interactions energy: -1154.705 where: short stacking energy: -476.482 Base-Backbone interact. energy: -0.357 local terms energy: -504.787781 where: bonds (distance) C4'-P energy: -81.674 bonds (distance) P-C4' energy: -95.448 flat angles C4'-P-C4' energy: -108.014 flat angles P-C4'-P energy: -70.378 tors. eta vs tors. theta energy: -149.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -1518.449877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.449877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.449877 (E_RNA) where: Base-Base interactions energy: -1038.663 where: short stacking energy: -432.410 Base-Backbone interact. energy: -0.770 local terms energy: -479.016540 where: bonds (distance) C4'-P energy: -91.464 bonds (distance) P-C4' energy: -84.284 flat angles C4'-P-C4' energy: -95.027 flat angles P-C4'-P energy: -72.489 tors. eta vs tors. theta energy: -135.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1414.535943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.535943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.535943 (E_RNA) where: Base-Base interactions energy: -975.720 where: short stacking energy: -396.203 Base-Backbone interact. energy: -1.709 local terms energy: -437.106765 where: bonds (distance) C4'-P energy: -89.195 bonds (distance) P-C4' energy: -88.418 flat angles C4'-P-C4' energy: -90.590 flat angles P-C4'-P energy: -61.739 tors. eta vs tors. theta energy: -107.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1290.076527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.076527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.076527 (E_RNA) where: Base-Base interactions energy: -875.241 where: short stacking energy: -371.108 Base-Backbone interact. energy: -0.822 local terms energy: -414.014050 where: bonds (distance) C4'-P energy: -60.636 bonds (distance) P-C4' energy: -92.302 flat angles C4'-P-C4' energy: -90.129 flat angles P-C4'-P energy: -71.047 tors. eta vs tors. theta energy: -99.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1185.265086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.265086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.265086 (E_RNA) where: Base-Base interactions energy: -802.321 where: short stacking energy: -324.483 Base-Backbone interact. energy: -1.759 local terms energy: -381.184300 where: bonds (distance) C4'-P energy: -81.865 bonds (distance) P-C4' energy: -76.148 flat angles C4'-P-C4' energy: -84.129 flat angles P-C4'-P energy: -61.873 tors. eta vs tors. theta energy: -77.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -898.152455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.152455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.152455 (E_RNA) where: Base-Base interactions energy: -557.470 where: short stacking energy: -249.322 Base-Backbone interact. energy: -1.072 local terms energy: -339.610825 where: bonds (distance) C4'-P energy: -82.681 bonds (distance) P-C4' energy: -89.281 flat angles C4'-P-C4' energy: -79.937 flat angles P-C4'-P energy: -41.214 tors. eta vs tors. theta energy: -46.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -652.574560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.574560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.574560 (E_RNA) where: Base-Base interactions energy: -351.239 where: short stacking energy: -166.259 Base-Backbone interact. energy: -0.608 local terms energy: -300.726638 where: bonds (distance) C4'-P energy: -70.479 bonds (distance) P-C4' energy: -90.476 flat angles C4'-P-C4' energy: -79.938 flat angles P-C4'-P energy: -47.926 tors. eta vs tors. theta energy: -11.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1829.956906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.956906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.956906 (E_RNA) where: Base-Base interactions energy: -1274.502 where: short stacking energy: -532.378 Base-Backbone interact. energy: 1.072 local terms energy: -556.526941 where: bonds (distance) C4'-P energy: -102.035 bonds (distance) P-C4' energy: -95.820 flat angles C4'-P-C4' energy: -112.963 flat angles P-C4'-P energy: -80.330 tors. eta vs tors. theta energy: -165.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1807.812698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.812698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.812698 (E_RNA) where: Base-Base interactions energy: -1261.597 where: short stacking energy: -513.997 Base-Backbone interact. energy: -2.325 local terms energy: -543.891184 where: bonds (distance) C4'-P energy: -99.406 bonds (distance) P-C4' energy: -100.519 flat angles C4'-P-C4' energy: -108.518 flat angles P-C4'-P energy: -76.834 tors. eta vs tors. theta energy: -158.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1704.523716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.523716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.523716 (E_RNA) where: Base-Base interactions energy: -1195.003 where: short stacking energy: -472.408 Base-Backbone interact. energy: -0.984 local terms energy: -508.536852 where: bonds (distance) C4'-P energy: -96.029 bonds (distance) P-C4' energy: -84.844 flat angles C4'-P-C4' energy: -111.954 flat angles P-C4'-P energy: -71.931 tors. eta vs tors. theta energy: -143.779 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: 4, replica: 5 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1682.076285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.076285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.076285 (E_RNA) where: Base-Base interactions energy: -1206.080 where: short stacking energy: -495.431 Base-Backbone interact. energy: 2.918 local terms energy: -478.914147 where: bonds (distance) C4'-P energy: -76.941 bonds (distance) P-C4' energy: -81.703 flat angles C4'-P-C4' energy: -103.912 flat angles P-C4'-P energy: -70.303 tors. eta vs tors. theta energy: -146.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1523.967532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.967532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.967532 (E_RNA) where: Base-Base interactions energy: -1051.159 where: short stacking energy: -444.600 Base-Backbone interact. energy: -0.040 local terms energy: -472.768372 where: bonds (distance) C4'-P energy: -93.465 bonds (distance) P-C4' energy: -76.460 flat angles C4'-P-C4' energy: -97.856 flat angles P-C4'-P energy: -69.966 tors. eta vs tors. theta energy: -135.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1399.051195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.051195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.051195 (E_RNA) where: Base-Base interactions energy: -1003.785 where: short stacking energy: -377.888 Base-Backbone interact. energy: 0.781 local terms energy: -396.046743 where: bonds (distance) C4'-P energy: -81.922 bonds (distance) P-C4' energy: -76.921 flat angles C4'-P-C4' energy: -78.357 flat angles P-C4'-P energy: -61.742 tors. eta vs tors. theta energy: -97.104 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: 8 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1195.838343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.838343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.838343 (E_RNA) where: Base-Base interactions energy: -783.296 where: short stacking energy: -340.934 Base-Backbone interact. energy: -1.020 local terms energy: -411.522710 where: bonds (distance) C4'-P energy: -90.462 bonds (distance) P-C4' energy: -88.425 flat angles C4'-P-C4' energy: -95.624 flat angles P-C4'-P energy: -54.511 tors. eta vs tors. theta energy: -82.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1259.656981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.656981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.656981 (E_RNA) where: Base-Base interactions energy: -854.073 where: short stacking energy: -356.311 Base-Backbone interact. energy: 0.433 local terms energy: -406.017558 where: bonds (distance) C4'-P energy: -78.507 bonds (distance) P-C4' energy: -74.238 flat angles C4'-P-C4' energy: -89.358 flat angles P-C4'-P energy: -65.374 tors. eta vs tors. theta energy: -98.540 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: 2 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -884.054394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.054394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.054394 (E_RNA) where: Base-Base interactions energy: -545.718 where: short stacking energy: -235.862 Base-Backbone interact. energy: 0.697 local terms energy: -339.033489 where: bonds (distance) C4'-P energy: -68.651 bonds (distance) P-C4' energy: -84.412 flat angles C4'-P-C4' energy: -95.077 flat angles P-C4'-P energy: -55.626 tors. eta vs tors. theta energy: -35.268 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: 10, replica: 7 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -625.828758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.828758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.828758 (E_RNA) where: Base-Base interactions energy: -349.290 where: short stacking energy: -160.477 Base-Backbone interact. energy: -1.781 local terms energy: -274.757800 where: bonds (distance) C4'-P energy: -73.948 bonds (distance) P-C4' energy: -82.754 flat angles C4'-P-C4' energy: -62.301 flat angles P-C4'-P energy: -43.932 tors. eta vs tors. theta energy: -11.823 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: 3 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1834.566551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.566551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.566551 (E_RNA) where: Base-Base interactions energy: -1274.569 where: short stacking energy: -521.759 Base-Backbone interact. energy: 0.022 local terms energy: -560.019971 where: bonds (distance) C4'-P energy: -103.753 bonds (distance) P-C4' energy: -94.964 flat angles C4'-P-C4' energy: -117.028 flat angles P-C4'-P energy: -76.818 tors. eta vs tors. theta energy: -167.457 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: 1 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1792.013390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.013390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.013390 (E_RNA) where: Base-Base interactions energy: -1252.378 where: short stacking energy: -494.874 Base-Backbone interact. energy: 1.370 local terms energy: -541.004978 where: bonds (distance) C4'-P energy: -97.765 bonds (distance) P-C4' energy: -99.688 flat angles C4'-P-C4' energy: -110.452 flat angles P-C4'-P energy: -76.809 tors. eta vs tors. theta energy: -156.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1719.027538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.027538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.027538 (E_RNA) where: Base-Base interactions energy: -1204.305 where: short stacking energy: -476.304 Base-Backbone interact. energy: -2.114 local terms energy: -512.609112 where: bonds (distance) C4'-P energy: -94.013 bonds (distance) P-C4' energy: -94.979 flat angles C4'-P-C4' energy: -111.940 flat angles P-C4'-P energy: -68.599 tors. eta vs tors. theta energy: -143.079 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: 5 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1698.346022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.346022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.346022 (E_RNA) where: Base-Base interactions energy: -1188.342 where: short stacking energy: -477.622 Base-Backbone interact. energy: -0.994 local terms energy: -509.010065 where: bonds (distance) C4'-P energy: -91.989 bonds (distance) P-C4' energy: -84.039 flat angles C4'-P-C4' energy: -109.230 flat angles P-C4'-P energy: -79.211 tors. eta vs tors. theta energy: -144.541 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: 9 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -1571.909758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.909758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.909758 (E_RNA) where: Base-Base interactions energy: -1085.460 where: short stacking energy: -455.743 Base-Backbone interact. energy: -0.303 local terms energy: -486.146422 where: bonds (distance) C4'-P energy: -84.493 bonds (distance) P-C4' energy: -100.171 flat angles C4'-P-C4' energy: -108.576 flat angles P-C4'-P energy: -66.707 tors. eta vs tors. theta energy: -126.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1422.930055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.930055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.930055 (E_RNA) where: Base-Base interactions energy: -983.935 where: short stacking energy: -382.744 Base-Backbone interact. energy: -0.560 local terms energy: -438.435690 where: bonds (distance) C4'-P energy: -98.145 bonds (distance) P-C4' energy: -79.357 flat angles C4'-P-C4' energy: -99.910 flat angles P-C4'-P energy: -63.741 tors. eta vs tors. theta energy: -97.283 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: 8 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1217.106161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.106161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.106161 (E_RNA) where: Base-Base interactions energy: -816.820 where: short stacking energy: -367.456 Base-Backbone interact. energy: -1.444 local terms energy: -398.842807 where: bonds (distance) C4'-P energy: -77.023 bonds (distance) P-C4' energy: -78.528 flat angles C4'-P-C4' energy: -94.330 flat angles P-C4'-P energy: -51.953 tors. eta vs tors. theta energy: -97.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1245.433625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.433625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.433625 (E_RNA) where: Base-Base interactions energy: -853.863 where: short stacking energy: -359.459 Base-Backbone interact. energy: -0.833 local terms energy: -390.737722 where: bonds (distance) C4'-P energy: -67.591 bonds (distance) P-C4' energy: -83.185 flat angles C4'-P-C4' energy: -94.641 flat angles P-C4'-P energy: -55.569 tors. eta vs tors. theta energy: -89.752 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: 9, replica: 2 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -873.030430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.030430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.030430 (E_RNA) where: Base-Base interactions energy: -555.584 where: short stacking energy: -268.902 Base-Backbone interact. energy: -1.451 local terms energy: -315.995051 where: bonds (distance) C4'-P energy: -72.172 bonds (distance) P-C4' energy: -70.557 flat angles C4'-P-C4' energy: -77.519 flat angles P-C4'-P energy: -47.876 tors. eta vs tors. theta energy: -47.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -598.776752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.776752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.776752 (E_RNA) where: Base-Base interactions energy: -333.647 where: short stacking energy: -148.553 Base-Backbone interact. energy: 5.690 local terms energy: -270.819082 where: bonds (distance) C4'-P energy: -77.658 bonds (distance) P-C4' energy: -76.274 flat angles C4'-P-C4' energy: -68.225 flat angles P-C4'-P energy: -40.287 tors. eta vs tors. theta energy: -8.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1803.950219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.950219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.950219 (E_RNA) where: Base-Base interactions energy: -1243.789 where: short stacking energy: -501.828 Base-Backbone interact. energy: -1.415 local terms energy: -558.746149 where: bonds (distance) C4'-P energy: -94.797 bonds (distance) P-C4' energy: -103.681 flat angles C4'-P-C4' energy: -116.752 flat angles P-C4'-P energy: -85.807 tors. eta vs tors. theta energy: -157.710 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: 1 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1791.092789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.092789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.092789 (E_RNA) where: Base-Base interactions energy: -1278.393 where: short stacking energy: -503.880 Base-Backbone interact. energy: -0.802 local terms energy: -511.897689 where: bonds (distance) C4'-P energy: -99.313 bonds (distance) P-C4' energy: -91.208 flat angles C4'-P-C4' energy: -102.179 flat angles P-C4'-P energy: -65.182 tors. eta vs tors. theta energy: -154.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1734.171313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.171313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.171313 (E_RNA) where: Base-Base interactions energy: -1236.020 where: short stacking energy: -492.182 Base-Backbone interact. energy: -0.483 local terms energy: -497.668209 where: bonds (distance) C4'-P energy: -73.470 bonds (distance) P-C4' energy: -95.404 flat angles C4'-P-C4' energy: -112.582 flat angles P-C4'-P energy: -76.420 tors. eta vs tors. theta energy: -139.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1666.446512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.446512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.446512 (E_RNA) where: Base-Base interactions energy: -1179.764 where: short stacking energy: -467.105 Base-Backbone interact. energy: 4.297 local terms energy: -490.979213 where: bonds (distance) C4'-P energy: -93.070 bonds (distance) P-C4' energy: -88.447 flat angles C4'-P-C4' energy: -97.611 flat angles P-C4'-P energy: -61.232 tors. eta vs tors. theta energy: -150.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -1564.309298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.309298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.309298 (E_RNA) where: Base-Base interactions energy: -1069.780 where: short stacking energy: -434.674 Base-Backbone interact. energy: -0.974 local terms energy: -493.555491 where: bonds (distance) C4'-P energy: -90.220 bonds (distance) P-C4' energy: -88.969 flat angles C4'-P-C4' energy: -107.708 flat angles P-C4'-P energy: -73.499 tors. eta vs tors. theta energy: -133.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -1478.017480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.017480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.017480 (E_RNA) where: Base-Base interactions energy: -1016.778 where: short stacking energy: -384.666 Base-Backbone interact. energy: -0.626 local terms energy: -460.614011 where: bonds (distance) C4'-P energy: -83.545 bonds (distance) P-C4' energy: -90.533 flat angles C4'-P-C4' energy: -103.461 flat angles P-C4'-P energy: -76.730 tors. eta vs tors. theta energy: -106.346 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: 7, replica: 10 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1305.692683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.692683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.692683 (E_RNA) where: Base-Base interactions energy: -894.179 where: short stacking energy: -355.334 Base-Backbone interact. energy: -2.058 local terms energy: -409.456559 where: bonds (distance) C4'-P energy: -78.518 bonds (distance) P-C4' energy: -71.873 flat angles C4'-P-C4' energy: -98.584 flat angles P-C4'-P energy: -66.366 tors. eta vs tors. theta energy: -94.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1214.690764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.690764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.690764 (E_RNA) where: Base-Base interactions energy: -836.651 where: short stacking energy: -360.488 Base-Backbone interact. energy: -1.765 local terms energy: -376.274726 where: bonds (distance) C4'-P energy: -54.540 bonds (distance) P-C4' energy: -72.706 flat angles C4'-P-C4' energy: -92.339 flat angles P-C4'-P energy: -53.542 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: 9, replica: 2 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -815.396016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.396016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.396016 (E_RNA) where: Base-Base interactions energy: -514.378 where: short stacking energy: -238.949 Base-Backbone interact. energy: 2.098 local terms energy: -303.115592 where: bonds (distance) C4'-P energy: -65.104 bonds (distance) P-C4' energy: -65.275 flat angles C4'-P-C4' energy: -80.679 flat angles P-C4'-P energy: -55.649 tors. eta vs tors. theta energy: -36.408 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: 228 Temperature: 1.350000 Total energy: -563.732539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.732539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.732539 (E_RNA) where: Base-Base interactions energy: -322.250 where: short stacking energy: -167.397 Base-Backbone interact. energy: 7.601 local terms energy: -249.083953 where: bonds (distance) C4'-P energy: -79.071 bonds (distance) P-C4' energy: -74.801 flat angles C4'-P-C4' energy: -71.527 flat angles P-C4'-P energy: -20.896 tors. eta vs tors. theta energy: -2.789 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: 3 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1820.956146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.956146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.956146 (E_RNA) where: Base-Base interactions energy: -1257.551 where: short stacking energy: -521.974 Base-Backbone interact. energy: 0.213 local terms energy: -563.617422 where: bonds (distance) C4'-P energy: -101.492 bonds (distance) P-C4' energy: -107.362 flat angles C4'-P-C4' energy: -113.029 flat angles P-C4'-P energy: -78.268 tors. eta vs tors. theta energy: -163.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1794.091868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.091868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.091868 (E_RNA) where: Base-Base interactions energy: -1260.422 where: short stacking energy: -484.474 Base-Backbone interact. energy: -2.148 local terms energy: -531.522364 where: bonds (distance) C4'-P energy: -104.450 bonds (distance) P-C4' energy: -89.412 flat angles C4'-P-C4' energy: -112.464 flat angles P-C4'-P energy: -74.836 tors. eta vs tors. theta energy: -150.361 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: 5 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1717.998334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.998334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.998334 (E_RNA) where: Base-Base interactions energy: -1219.949 where: short stacking energy: -476.445 Base-Backbone interact. energy: -1.162 local terms energy: -496.887379 where: bonds (distance) C4'-P energy: -86.705 bonds (distance) P-C4' energy: -95.052 flat angles C4'-P-C4' energy: -92.274 flat angles P-C4'-P energy: -71.971 tors. eta vs tors. theta energy: -150.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1691.190026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.190026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.190026 (E_RNA) where: Base-Base interactions energy: -1168.505 where: short stacking energy: -457.862 Base-Backbone interact. energy: -0.320 local terms energy: -522.365008 where: bonds (distance) C4'-P energy: -101.292 bonds (distance) P-C4' energy: -94.937 flat angles C4'-P-C4' energy: -107.727 flat angles P-C4'-P energy: -74.237 tors. eta vs tors. theta energy: -144.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -1553.539442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.539442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.539442 (E_RNA) where: Base-Base interactions energy: -1077.782 where: short stacking energy: -446.281 Base-Backbone interact. energy: -0.711 local terms energy: -475.046590 where: bonds (distance) C4'-P energy: -86.825 bonds (distance) P-C4' energy: -99.103 flat angles C4'-P-C4' energy: -95.326 flat angles P-C4'-P energy: -62.847 tors. eta vs tors. theta energy: -130.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1449.722475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.722475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.722475 (E_RNA) where: Base-Base interactions energy: -989.614 where: short stacking energy: -401.229 Base-Backbone interact. energy: -4.712 local terms energy: -455.396683 where: bonds (distance) C4'-P energy: -79.667 bonds (distance) P-C4' energy: -91.940 flat angles C4'-P-C4' energy: -103.987 flat angles P-C4'-P energy: -69.468 tors. eta vs tors. theta energy: -110.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1326.354386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.354386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.354386 (E_RNA) where: Base-Base interactions energy: -901.224 where: short stacking energy: -358.847 Base-Backbone interact. energy: -1.908 local terms energy: -423.222463 where: bonds (distance) C4'-P energy: -82.971 bonds (distance) P-C4' energy: -88.122 flat angles C4'-P-C4' energy: -89.135 flat angles P-C4'-P energy: -69.033 tors. eta vs tors. theta energy: -93.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1221.149004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.149004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.149004 (E_RNA) where: Base-Base interactions energy: -830.311 where: short stacking energy: -346.066 Base-Backbone interact. energy: -1.698 local terms energy: -389.139617 where: bonds (distance) C4'-P energy: -72.780 bonds (distance) P-C4' energy: -78.445 flat angles C4'-P-C4' energy: -92.760 flat angles P-C4'-P energy: -50.917 tors. eta vs tors. theta energy: -94.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -848.742204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.742204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.742204 (E_RNA) where: Base-Base interactions energy: -530.013 where: short stacking energy: -262.895 Base-Backbone interact. energy: 0.705 local terms energy: -319.433878 where: bonds (distance) C4'-P energy: -70.727 bonds (distance) P-C4' energy: -71.740 flat angles C4'-P-C4' energy: -74.265 flat angles P-C4'-P energy: -44.069 tors. eta vs tors. theta energy: -58.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -547.110456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.110456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.110456 (E_RNA) where: Base-Base interactions energy: -276.419 where: short stacking energy: -141.770 Base-Backbone interact. energy: 1.779 local terms energy: -272.470364 where: bonds (distance) C4'-P energy: -78.614 bonds (distance) P-C4' energy: -75.852 flat angles C4'-P-C4' energy: -63.648 flat angles P-C4'-P energy: -48.909 tors. eta vs tors. theta energy: -5.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1820.630921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.630921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.630921 (E_RNA) where: Base-Base interactions energy: -1259.637 where: short stacking energy: -523.904 Base-Backbone interact. energy: -2.161 local terms energy: -558.832633 where: bonds (distance) C4'-P energy: -93.774 bonds (distance) P-C4' energy: -106.288 flat angles C4'-P-C4' energy: -118.332 flat angles P-C4'-P energy: -74.342 tors. eta vs tors. theta energy: -166.096 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: 1 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1783.979867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.979867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.979867 (E_RNA) where: Base-Base interactions energy: -1256.409 where: short stacking energy: -504.248 Base-Backbone interact. energy: -1.880 local terms energy: -525.690881 where: bonds (distance) C4'-P energy: -95.461 bonds (distance) P-C4' energy: -89.604 flat angles C4'-P-C4' energy: -113.198 flat angles P-C4'-P energy: -71.601 tors. eta vs tors. theta energy: -155.827 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: 230 Temperature: 1.000000 Total energy: -1705.638065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.638065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.638065 (E_RNA) where: Base-Base interactions energy: -1211.291 where: short stacking energy: -467.071 Base-Backbone interact. energy: 0.904 local terms energy: -495.251700 where: bonds (distance) C4'-P energy: -86.792 bonds (distance) P-C4' energy: -98.851 flat angles C4'-P-C4' energy: -101.840 flat angles P-C4'-P energy: -62.590 tors. eta vs tors. theta energy: -145.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1660.485640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.485640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.485640 (E_RNA) where: Base-Base interactions energy: -1177.541 where: short stacking energy: -448.191 Base-Backbone interact. energy: -2.023 local terms energy: -480.921220 where: bonds (distance) C4'-P energy: -93.489 bonds (distance) P-C4' energy: -90.497 flat angles C4'-P-C4' energy: -109.520 flat angles P-C4'-P energy: -52.043 tors. eta vs tors. theta energy: -135.372 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: 9 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -1534.815323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.815323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.815323 (E_RNA) where: Base-Base interactions energy: -1056.074 where: short stacking energy: -428.757 Base-Backbone interact. energy: -0.232 local terms energy: -478.509193 where: bonds (distance) C4'-P energy: -85.335 bonds (distance) P-C4' energy: -96.639 flat angles C4'-P-C4' energy: -94.462 flat angles P-C4'-P energy: -73.872 tors. eta vs tors. theta energy: -128.201 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: 4 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1442.322862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.322862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.322862 (E_RNA) where: Base-Base interactions energy: -1009.998 where: short stacking energy: -397.607 Base-Backbone interact. energy: 3.261 local terms energy: -435.585638 where: bonds (distance) C4'-P energy: -77.963 bonds (distance) P-C4' energy: -84.507 flat angles C4'-P-C4' energy: -102.221 flat angles P-C4'-P energy: -60.433 tors. eta vs tors. theta energy: -110.462 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: 7, replica: 10 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1321.229049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.229049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.229049 (E_RNA) where: Base-Base interactions energy: -890.410 where: short stacking energy: -373.298 Base-Backbone interact. energy: -0.915 local terms energy: -429.904684 where: bonds (distance) C4'-P energy: -87.913 bonds (distance) P-C4' energy: -84.607 flat angles C4'-P-C4' energy: -98.194 flat angles P-C4'-P energy: -54.822 tors. eta vs tors. theta energy: -104.369 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: 8 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1227.608092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.608092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.608092 (E_RNA) where: Base-Base interactions energy: -840.667 where: short stacking energy: -350.252 Base-Backbone interact. energy: 0.088 local terms energy: -387.029155 where: bonds (distance) C4'-P energy: -89.378 bonds (distance) P-C4' energy: -66.796 flat angles C4'-P-C4' energy: -90.544 flat angles P-C4'-P energy: -46.411 tors. eta vs tors. theta energy: -93.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -824.869191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.869191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.869191 (E_RNA) where: Base-Base interactions energy: -488.747 where: short stacking energy: -226.655 Base-Backbone interact. energy: -0.463 local terms energy: -335.658839 where: bonds (distance) C4'-P energy: -82.571 bonds (distance) P-C4' energy: -92.482 flat angles C4'-P-C4' energy: -68.023 flat angles P-C4'-P energy: -50.186 tors. eta vs tors. theta energy: -42.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -586.879538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.879538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.879538 (E_RNA) where: Base-Base interactions energy: -298.157 where: short stacking energy: -165.592 Base-Backbone interact. energy: 5.383 local terms energy: -294.105709 where: bonds (distance) C4'-P energy: -76.392 bonds (distance) P-C4' energy: -102.873 flat angles C4'-P-C4' energy: -56.162 flat angles P-C4'-P energy: -47.623 tors. eta vs tors. theta energy: -11.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1840.566493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.566493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.566493 (E_RNA) where: Base-Base interactions energy: -1288.442 where: short stacking energy: -544.231 Base-Backbone interact. energy: -2.527 local terms energy: -549.597715 where: bonds (distance) C4'-P energy: -100.711 bonds (distance) P-C4' energy: -98.915 flat angles C4'-P-C4' energy: -114.968 flat angles P-C4'-P energy: -71.749 tors. eta vs tors. theta energy: -163.255 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: 1 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1788.912077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.912077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.912077 (E_RNA) where: Base-Base interactions energy: -1268.681 where: short stacking energy: -504.266 Base-Backbone interact. energy: -2.776 local terms energy: -517.454964 where: bonds (distance) C4'-P energy: -92.503 bonds (distance) P-C4' energy: -92.423 flat angles C4'-P-C4' energy: -108.361 flat angles P-C4'-P energy: -76.066 tors. eta vs tors. theta energy: -148.102 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: 5 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1739.880912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.880912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.880912 (E_RNA) where: Base-Base interactions energy: -1216.720 where: short stacking energy: -474.726 Base-Backbone interact. energy: -1.845 local terms energy: -521.315443 where: bonds (distance) C4'-P energy: -96.616 bonds (distance) P-C4' energy: -83.087 flat angles C4'-P-C4' energy: -109.277 flat angles P-C4'-P energy: -72.687 tors. eta vs tors. theta energy: -159.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1631.181796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.181796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.181796 (E_RNA) where: Base-Base interactions energy: -1137.673 where: short stacking energy: -443.720 Base-Backbone interact. energy: -1.706 local terms energy: -491.803100 where: bonds (distance) C4'-P energy: -95.575 bonds (distance) P-C4' energy: -94.310 flat angles C4'-P-C4' energy: -99.268 flat angles P-C4'-P energy: -69.128 tors. eta vs tors. theta energy: -133.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -1539.647450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.647450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.647450 (E_RNA) where: Base-Base interactions energy: -1062.698 where: short stacking energy: -444.929 Base-Backbone interact. energy: 0.740 local terms energy: -477.689625 where: bonds (distance) C4'-P energy: -79.318 bonds (distance) P-C4' energy: -75.186 flat angles C4'-P-C4' energy: -101.270 flat angles P-C4'-P energy: -79.643 tors. eta vs tors. theta energy: -142.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1415.900960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.900960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.900960 (E_RNA) where: Base-Base interactions energy: -981.993 where: short stacking energy: -415.354 Base-Backbone interact. energy: 0.755 local terms energy: -434.662770 where: bonds (distance) C4'-P energy: -61.755 bonds (distance) P-C4' energy: -92.716 flat angles C4'-P-C4' energy: -93.363 flat angles P-C4'-P energy: -65.314 tors. eta vs tors. theta energy: -121.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1294.031530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.031530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.031530 (E_RNA) where: Base-Base interactions energy: -892.687 where: short stacking energy: -355.264 Base-Backbone interact. energy: -0.779 local terms energy: -400.565603 where: bonds (distance) C4'-P energy: -76.760 bonds (distance) P-C4' energy: -74.863 flat angles C4'-P-C4' energy: -86.516 flat angles P-C4'-P energy: -63.764 tors. eta vs tors. theta energy: -98.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1248.143625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.143625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.143625 (E_RNA) where: Base-Base interactions energy: -839.471 where: short stacking energy: -355.112 Base-Backbone interact. energy: 0.329 local terms energy: -409.001674 where: bonds (distance) C4'-P energy: -77.156 bonds (distance) P-C4' energy: -76.737 flat angles C4'-P-C4' energy: -94.147 flat angles P-C4'-P energy: -69.369 tors. eta vs tors. theta energy: -91.593 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: 2 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -820.091130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.091130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.091130 (E_RNA) where: Base-Base interactions energy: -506.229 where: short stacking energy: -227.895 Base-Backbone interact. energy: 0.100 local terms energy: -313.962132 where: bonds (distance) C4'-P energy: -68.126 bonds (distance) P-C4' energy: -84.665 flat angles C4'-P-C4' energy: -65.761 flat angles P-C4'-P energy: -53.749 tors. eta vs tors. theta energy: -41.661 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: 7 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -626.621865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.621865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.621865 (E_RNA) where: Base-Base interactions energy: -342.095 where: short stacking energy: -194.252 Base-Backbone interact. energy: -1.252 local terms energy: -283.274985 where: bonds (distance) C4'-P energy: -75.149 bonds (distance) P-C4' energy: -88.534 flat angles C4'-P-C4' energy: -53.673 flat angles P-C4'-P energy: -41.170 tors. eta vs tors. theta energy: -24.749 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: 3 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1824.720120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.720120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.720120 (E_RNA) where: Base-Base interactions energy: -1271.307 where: short stacking energy: -531.494 Base-Backbone interact. energy: -2.155 local terms energy: -551.258160 where: bonds (distance) C4'-P energy: -96.523 bonds (distance) P-C4' energy: -89.402 flat angles C4'-P-C4' energy: -117.689 flat angles P-C4'-P energy: -79.452 tors. eta vs tors. theta energy: -168.192 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: 2, replica: 1 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1773.826122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.826122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.826122 (E_RNA) where: Base-Base interactions energy: -1259.522 where: short stacking energy: -486.854 Base-Backbone interact. energy: 1.176 local terms energy: -515.480024 where: bonds (distance) C4'-P energy: -92.579 bonds (distance) P-C4' energy: -86.493 flat angles C4'-P-C4' energy: -110.573 flat angles P-C4'-P energy: -69.559 tors. eta vs tors. theta energy: -156.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1730.144035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.144035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.144035 (E_RNA) where: Base-Base interactions energy: -1214.084 where: short stacking energy: -485.134 Base-Backbone interact. energy: -0.215 local terms energy: -515.845025 where: bonds (distance) C4'-P energy: -93.871 bonds (distance) P-C4' energy: -91.267 flat angles C4'-P-C4' energy: -108.752 flat angles P-C4'-P energy: -73.063 tors. eta vs tors. theta energy: -148.892 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: 6 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -1630.631550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.631550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.631550 (E_RNA) where: Base-Base interactions energy: -1154.476 where: short stacking energy: -439.439 Base-Backbone interact. energy: -1.930 local terms energy: -474.225168 where: bonds (distance) C4'-P energy: -90.791 bonds (distance) P-C4' energy: -75.905 flat angles C4'-P-C4' energy: -106.483 flat angles P-C4'-P energy: -70.023 tors. eta vs tors. theta energy: -131.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -1540.936003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.936003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.936003 (E_RNA) where: Base-Base interactions energy: -1046.896 where: short stacking energy: -446.280 Base-Backbone interact. energy: -0.570 local terms energy: -493.470577 where: bonds (distance) C4'-P energy: -92.913 bonds (distance) P-C4' energy: -88.593 flat angles C4'-P-C4' energy: -105.465 flat angles P-C4'-P energy: -70.046 tors. eta vs tors. theta energy: -136.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1443.073894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.073894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.073894 (E_RNA) where: Base-Base interactions energy: -1015.002 where: short stacking energy: -399.843 Base-Backbone interact. energy: 1.607 local terms energy: -429.678825 where: bonds (distance) C4'-P energy: -68.882 bonds (distance) P-C4' energy: -81.892 flat angles C4'-P-C4' energy: -103.193 flat angles P-C4'-P energy: -70.364 tors. eta vs tors. theta energy: -105.348 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: 7, replica: 10 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1298.103810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.103810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.103810 (E_RNA) where: Base-Base interactions energy: -875.257 where: short stacking energy: -372.387 Base-Backbone interact. energy: -1.501 local terms energy: -421.345683 where: bonds (distance) C4'-P energy: -71.474 bonds (distance) P-C4' energy: -92.369 flat angles C4'-P-C4' energy: -88.744 flat angles P-C4'-P energy: -67.111 tors. eta vs tors. theta energy: -101.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1208.274620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.274620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.274620 (E_RNA) where: Base-Base interactions energy: -818.500 where: short stacking energy: -337.596 Base-Backbone interact. energy: -1.183 local terms energy: -388.592012 where: bonds (distance) C4'-P energy: -95.247 bonds (distance) P-C4' energy: -74.715 flat angles C4'-P-C4' energy: -90.955 flat angles P-C4'-P energy: -45.647 tors. eta vs tors. theta energy: -82.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -840.280122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.280122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.280122 (E_RNA) where: Base-Base interactions energy: -506.254 where: short stacking energy: -194.728 Base-Backbone interact. energy: 0.611 local terms energy: -334.636939 where: bonds (distance) C4'-P energy: -79.446 bonds (distance) P-C4' energy: -90.234 flat angles C4'-P-C4' energy: -74.558 flat angles P-C4'-P energy: -63.793 tors. eta vs tors. theta energy: -26.607 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: 10, replica: 7 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -636.445758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.445758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.445758 (E_RNA) where: Base-Base interactions energy: -331.515 where: short stacking energy: -156.021 Base-Backbone interact. energy: -1.672 local terms energy: -303.258333 where: bonds (distance) C4'-P energy: -72.620 bonds (distance) P-C4' energy: -87.528 flat angles C4'-P-C4' energy: -77.590 flat angles P-C4'-P energy: -40.132 tors. eta vs tors. theta energy: -25.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1829.667006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.667006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.667006 (E_RNA) where: Base-Base interactions energy: -1276.607 where: short stacking energy: -542.408 Base-Backbone interact. energy: 0.197 local terms energy: -553.257128 where: bonds (distance) C4'-P energy: -80.042 bonds (distance) P-C4' energy: -105.055 flat angles C4'-P-C4' energy: -113.365 flat angles P-C4'-P energy: -86.005 tors. eta vs tors. theta energy: -168.790 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: 2, replica: 1 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1814.416439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.416439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.416439 (E_RNA) where: Base-Base interactions energy: -1290.559 where: short stacking energy: -512.892 Base-Backbone interact. energy: -3.206 local terms energy: -520.651856 where: bonds (distance) C4'-P energy: -88.210 bonds (distance) P-C4' energy: -88.833 flat angles C4'-P-C4' energy: -111.087 flat angles P-C4'-P energy: -72.633 tors. eta vs tors. theta energy: -159.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1702.352520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.352520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.352520 (E_RNA) where: Base-Base interactions energy: -1198.889 where: short stacking energy: -468.792 Base-Backbone interact. energy: 1.338 local terms energy: -504.801875 where: bonds (distance) C4'-P energy: -99.282 bonds (distance) P-C4' energy: -95.332 flat angles C4'-P-C4' energy: -95.478 flat angles P-C4'-P energy: -66.508 tors. eta vs tors. theta energy: -148.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1605.759128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.759128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.759128 (E_RNA) where: Base-Base interactions energy: -1141.803 where: short stacking energy: -448.442 Base-Backbone interact. energy: -1.459 local terms energy: -462.497268 where: bonds (distance) C4'-P energy: -86.232 bonds (distance) P-C4' energy: -86.579 flat angles C4'-P-C4' energy: -87.320 flat angles P-C4'-P energy: -70.574 tors. eta vs tors. theta energy: -131.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1537.902433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.902433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.902433 (E_RNA) where: Base-Base interactions energy: -1061.749 where: short stacking energy: -439.779 Base-Backbone interact. energy: -0.473 local terms energy: -475.680669 where: bonds (distance) C4'-P energy: -77.776 bonds (distance) P-C4' energy: -94.690 flat angles C4'-P-C4' energy: -97.712 flat angles P-C4'-P energy: -83.055 tors. eta vs tors. theta energy: -122.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1451.272599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.272599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.272599 (E_RNA) where: Base-Base interactions energy: -1017.012 where: short stacking energy: -384.806 Base-Backbone interact. energy: -0.414 local terms energy: -433.845649 where: bonds (distance) C4'-P energy: -89.133 bonds (distance) P-C4' energy: -97.873 flat angles C4'-P-C4' energy: -85.832 flat angles P-C4'-P energy: -54.056 tors. eta vs tors. theta energy: -106.951 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: 10 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1309.037768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.037768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.037768 (E_RNA) where: Base-Base interactions energy: -897.870 where: short stacking energy: -379.192 Base-Backbone interact. energy: 0.279 local terms energy: -411.447173 where: bonds (distance) C4'-P energy: -66.094 bonds (distance) P-C4' energy: -87.285 flat angles C4'-P-C4' energy: -97.641 flat angles P-C4'-P energy: -54.137 tors. eta vs tors. theta energy: -106.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1181.036921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.036921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.036921 (E_RNA) where: Base-Base interactions energy: -791.104 where: short stacking energy: -326.380 Base-Backbone interact. energy: 0.017 local terms energy: -389.949922 where: bonds (distance) C4'-P energy: -65.910 bonds (distance) P-C4' energy: -92.741 flat angles C4'-P-C4' energy: -83.210 flat angles P-C4'-P energy: -54.596 tors. eta vs tors. theta energy: -93.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -888.889155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.889155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.889155 (E_RNA) where: Base-Base interactions energy: -564.635 where: short stacking energy: -240.060 Base-Backbone interact. energy: 0.998 local terms energy: -325.252070 where: bonds (distance) C4'-P energy: -80.872 bonds (distance) P-C4' energy: -74.490 flat angles C4'-P-C4' energy: -78.129 flat angles P-C4'-P energy: -47.312 tors. eta vs tors. theta energy: -44.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -611.997290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.997290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.997290 (E_RNA) where: Base-Base interactions energy: -329.618 where: short stacking energy: -169.505 Base-Backbone interact. energy: -2.921 local terms energy: -279.458443 where: bonds (distance) C4'-P energy: -73.726 bonds (distance) P-C4' energy: -82.994 flat angles C4'-P-C4' energy: -66.192 flat angles P-C4'-P energy: -45.387 tors. eta vs tors. theta energy: -11.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1824.958849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.958849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.958849 (E_RNA) where: Base-Base interactions energy: -1277.650 where: short stacking energy: -507.123 Base-Backbone interact. energy: -3.282 local terms energy: -544.026500 where: bonds (distance) C4'-P energy: -96.440 bonds (distance) P-C4' energy: -94.574 flat angles C4'-P-C4' energy: -108.701 flat angles P-C4'-P energy: -84.533 tors. eta vs tors. theta energy: -159.779 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: 3 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1793.889883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.889883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.889883 (E_RNA) where: Base-Base interactions energy: -1251.587 where: short stacking energy: -530.217 Base-Backbone interact. energy: -2.217 local terms energy: -540.086248 where: bonds (distance) C4'-P energy: -88.966 bonds (distance) P-C4' energy: -97.829 flat angles C4'-P-C4' energy: -107.496 flat angles P-C4'-P energy: -78.146 tors. eta vs tors. theta energy: -167.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -1745.478719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.478719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.478719 (E_RNA) where: Base-Base interactions energy: -1230.611 where: short stacking energy: -482.726 Base-Backbone interact. energy: 1.694 local terms energy: -516.561936 where: bonds (distance) C4'-P energy: -102.592 bonds (distance) P-C4' energy: -83.192 flat angles C4'-P-C4' energy: -106.572 flat angles P-C4'-P energy: -72.585 tors. eta vs tors. theta energy: -151.621 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: 6 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1636.110299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.110299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.110299 (E_RNA) where: Base-Base interactions energy: -1159.919 where: short stacking energy: -467.597 Base-Backbone interact. energy: -2.278 local terms energy: -473.912733 where: bonds (distance) C4'-P energy: -89.148 bonds (distance) P-C4' energy: -68.910 flat angles C4'-P-C4' energy: -109.844 flat angles P-C4'-P energy: -65.758 tors. eta vs tors. theta energy: -140.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -1599.596857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.596857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.596857 (E_RNA) where: Base-Base interactions energy: -1097.651 where: short stacking energy: -444.814 Base-Backbone interact. energy: -1.011 local terms energy: -500.934190 where: bonds (distance) C4'-P energy: -89.708 bonds (distance) P-C4' energy: -96.312 flat angles C4'-P-C4' energy: -106.511 flat angles P-C4'-P energy: -68.152 tors. eta vs tors. theta energy: -140.251 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: 4 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1449.863741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.863741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.863741 (E_RNA) where: Base-Base interactions energy: -1004.643 where: short stacking energy: -396.311 Base-Backbone interact. energy: -1.661 local terms energy: -443.560290 where: bonds (distance) C4'-P energy: -73.905 bonds (distance) P-C4' energy: -96.903 flat angles C4'-P-C4' energy: -106.275 flat angles P-C4'-P energy: -59.040 tors. eta vs tors. theta energy: -107.437 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: 7, replica: 10 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1305.772692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.772692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.772692 (E_RNA) where: Base-Base interactions energy: -863.591 where: short stacking energy: -359.545 Base-Backbone interact. energy: -0.493 local terms energy: -441.688557 where: bonds (distance) C4'-P energy: -90.586 bonds (distance) P-C4' energy: -98.593 flat angles C4'-P-C4' energy: -99.080 flat angles P-C4'-P energy: -53.073 tors. eta vs tors. theta energy: -100.355 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: 8 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1218.619985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.619985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.619985 (E_RNA) where: Base-Base interactions energy: -816.941 where: short stacking energy: -348.667 Base-Backbone interact. energy: 0.433 local terms energy: -402.111577 where: bonds (distance) C4'-P energy: -79.399 bonds (distance) P-C4' energy: -92.513 flat angles C4'-P-C4' energy: -84.185 flat angles P-C4'-P energy: -58.521 tors. eta vs tors. theta energy: -87.493 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: 2 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -759.899114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.899114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.899114 (E_RNA) where: Base-Base interactions energy: -438.440 where: short stacking energy: -213.600 Base-Backbone interact. energy: 0.375 local terms energy: -321.833692 where: bonds (distance) C4'-P energy: -65.717 bonds (distance) P-C4' energy: -79.673 flat angles C4'-P-C4' energy: -82.340 flat angles P-C4'-P energy: -57.098 tors. eta vs tors. theta energy: -37.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -598.641483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.641483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.641483 (E_RNA) where: Base-Base interactions energy: -323.380 where: short stacking energy: -161.943 Base-Backbone interact. energy: -2.708 local terms energy: -272.553699 where: bonds (distance) C4'-P energy: -73.700 bonds (distance) P-C4' energy: -83.205 flat angles C4'-P-C4' energy: -56.389 flat angles P-C4'-P energy: -51.274 tors. eta vs tors. theta energy: -7.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1829.842066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.842066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.842066 (E_RNA) where: Base-Base interactions energy: -1277.767 where: short stacking energy: -505.507 Base-Backbone interact. energy: -3.854 local terms energy: -548.220950 where: bonds (distance) C4'-P energy: -88.817 bonds (distance) P-C4' energy: -101.292 flat angles C4'-P-C4' energy: -119.736 flat angles P-C4'-P energy: -72.842 tors. eta vs tors. theta energy: -165.534 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: 3 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1799.175368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.175368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.175368 (E_RNA) where: Base-Base interactions energy: -1259.684 where: short stacking energy: -525.200 Base-Backbone interact. energy: -0.177 local terms energy: -539.314639 where: bonds (distance) C4'-P energy: -92.067 bonds (distance) P-C4' energy: -91.906 flat angles C4'-P-C4' energy: -117.540 flat angles P-C4'-P energy: -74.876 tors. eta vs tors. theta energy: -162.924 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: 235 Temperature: 1.000000 Total energy: -1745.459081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.459081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.459081 (E_RNA) where: Base-Base interactions energy: -1243.012 where: short stacking energy: -493.510 Base-Backbone interact. energy: -1.353 local terms energy: -501.094527 where: bonds (distance) C4'-P energy: -72.538 bonds (distance) P-C4' energy: -95.159 flat angles C4'-P-C4' energy: -111.823 flat angles P-C4'-P energy: -64.800 tors. eta vs tors. theta energy: -156.774 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: 4, replica: 6 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1641.875570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.875570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.875570 (E_RNA) where: Base-Base interactions energy: -1144.426 where: short stacking energy: -440.046 Base-Backbone interact. energy: 1.065 local terms energy: -498.515432 where: bonds (distance) C4'-P energy: -95.407 bonds (distance) P-C4' energy: -92.254 flat angles C4'-P-C4' energy: -95.316 flat angles P-C4'-P energy: -76.922 tors. eta vs tors. theta energy: -138.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -1542.242273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.242273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.242273 (E_RNA) where: Base-Base interactions energy: -1088.067 where: short stacking energy: -431.290 Base-Backbone interact. energy: 0.284 local terms energy: -454.459764 where: bonds (distance) C4'-P energy: -86.221 bonds (distance) P-C4' energy: -72.925 flat angles C4'-P-C4' energy: -108.619 flat angles P-C4'-P energy: -57.323 tors. eta vs tors. theta energy: -129.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1438.211526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.211526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.211526 (E_RNA) where: Base-Base interactions energy: -979.656 where: short stacking energy: -405.552 Base-Backbone interact. energy: -1.921 local terms energy: -456.634838 where: bonds (distance) C4'-P energy: -80.620 bonds (distance) P-C4' energy: -98.191 flat angles C4'-P-C4' energy: -94.672 flat angles P-C4'-P energy: -69.771 tors. eta vs tors. theta energy: -113.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1263.517454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.517454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.517454 (E_RNA) where: Base-Base interactions energy: -849.785 where: short stacking energy: -377.793 Base-Backbone interact. energy: -1.127 local terms energy: -412.605637 where: bonds (distance) C4'-P energy: -77.671 bonds (distance) P-C4' energy: -75.577 flat angles C4'-P-C4' energy: -88.554 flat angles P-C4'-P energy: -69.296 tors. eta vs tors. theta energy: -101.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1231.530009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.530009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.530009 (E_RNA) where: Base-Base interactions energy: -841.210 where: short stacking energy: -345.274 Base-Backbone interact. energy: 5.070 local terms energy: -395.389659 where: bonds (distance) C4'-P energy: -65.053 bonds (distance) P-C4' energy: -77.418 flat angles C4'-P-C4' energy: -98.887 flat angles P-C4'-P energy: -61.231 tors. eta vs tors. theta energy: -92.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -839.238352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.238352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.238352 (E_RNA) where: Base-Base interactions energy: -481.397 where: short stacking energy: -229.706 Base-Backbone interact. energy: -1.832 local terms energy: -356.008763 where: bonds (distance) C4'-P energy: -89.062 bonds (distance) P-C4' energy: -86.577 flat angles C4'-P-C4' energy: -85.138 flat angles P-C4'-P energy: -50.829 tors. eta vs tors. theta energy: -44.403 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: 10, replica: 7 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -623.384182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.384182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.384182 (E_RNA) where: Base-Base interactions energy: -342.495 where: short stacking energy: -173.582 Base-Backbone interact. energy: 0.667 local terms energy: -281.556186 where: bonds (distance) C4'-P energy: -63.132 bonds (distance) P-C4' energy: -79.473 flat angles C4'-P-C4' energy: -78.357 flat angles P-C4'-P energy: -42.634 tors. eta vs tors. theta energy: -17.961 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: 1 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1841.907441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.907441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.907441 (E_RNA) where: Base-Base interactions energy: -1304.347 where: short stacking energy: -525.465 Base-Backbone interact. energy: -2.146 local terms energy: -535.415088 where: bonds (distance) C4'-P energy: -97.440 bonds (distance) P-C4' energy: -98.249 flat angles C4'-P-C4' energy: -114.051 flat angles P-C4'-P energy: -68.465 tors. eta vs tors. theta energy: -157.211 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: 2, replica: 3 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1785.991068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.991068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.991068 (E_RNA) where: Base-Base interactions energy: -1248.740 where: short stacking energy: -505.000 Base-Backbone interact. energy: -2.745 local terms energy: -534.506081 where: bonds (distance) C4'-P energy: -92.545 bonds (distance) P-C4' energy: -90.663 flat angles C4'-P-C4' energy: -111.951 flat angles P-C4'-P energy: -81.095 tors. eta vs tors. theta energy: -158.251 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: 5 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1735.903173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.903173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.903173 (E_RNA) where: Base-Base interactions energy: -1231.915 where: short stacking energy: -480.238 Base-Backbone interact. energy: 1.424 local terms energy: -505.411757 where: bonds (distance) C4'-P energy: -89.223 bonds (distance) P-C4' energy: -72.500 flat angles C4'-P-C4' energy: -108.565 flat angles P-C4'-P energy: -78.434 tors. eta vs tors. theta energy: -156.691 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: 6 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1622.347315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.347315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.347315 (E_RNA) where: Base-Base interactions energy: -1106.142 where: short stacking energy: -433.039 Base-Backbone interact. energy: -2.009 local terms energy: -514.196592 where: bonds (distance) C4'-P energy: -89.079 bonds (distance) P-C4' energy: -103.880 flat angles C4'-P-C4' energy: -106.804 flat angles P-C4'-P energy: -79.906 tors. eta vs tors. theta energy: -134.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -1568.223054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.223054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.223054 (E_RNA) where: Base-Base interactions energy: -1105.659 where: short stacking energy: -434.533 Base-Backbone interact. energy: -0.578 local terms energy: -461.985355 where: bonds (distance) C4'-P energy: -77.475 bonds (distance) P-C4' energy: -79.581 flat angles C4'-P-C4' energy: -95.732 flat angles P-C4'-P energy: -75.586 tors. eta vs tors. theta energy: -133.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1427.430413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.430413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.430413 (E_RNA) where: Base-Base interactions energy: -987.379 where: short stacking energy: -388.579 Base-Backbone interact. energy: -2.954 local terms energy: -437.097528 where: bonds (distance) C4'-P energy: -80.962 bonds (distance) P-C4' energy: -85.702 flat angles C4'-P-C4' energy: -104.740 flat angles P-C4'-P energy: -66.222 tors. eta vs tors. theta energy: -99.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1305.692917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.692917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.692917 (E_RNA) where: Base-Base interactions energy: -875.897 where: short stacking energy: -374.666 Base-Backbone interact. energy: -2.085 local terms energy: -427.710587 where: bonds (distance) C4'-P energy: -72.974 bonds (distance) P-C4' energy: -80.760 flat angles C4'-P-C4' energy: -103.366 flat angles P-C4'-P energy: -65.282 tors. eta vs tors. theta energy: -105.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1211.371589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.371589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.371589 (E_RNA) where: Base-Base interactions energy: -817.747 where: short stacking energy: -330.820 Base-Backbone interact. energy: -2.537 local terms energy: -391.087513 where: bonds (distance) C4'-P energy: -86.256 bonds (distance) P-C4' energy: -75.111 flat angles C4'-P-C4' energy: -83.171 flat angles P-C4'-P energy: -57.701 tors. eta vs tors. theta energy: -88.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -806.792385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.792385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.792385 (E_RNA) where: Base-Base interactions energy: -446.686 where: short stacking energy: -195.654 Base-Backbone interact. energy: 2.232 local terms energy: -362.338402 where: bonds (distance) C4'-P energy: -93.636 bonds (distance) P-C4' energy: -85.838 flat angles C4'-P-C4' energy: -81.720 flat angles P-C4'-P energy: -49.505 tors. eta vs tors. theta energy: -51.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -611.937913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.937913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.937913 (E_RNA) where: Base-Base interactions energy: -322.252 where: short stacking energy: -165.424 Base-Backbone interact. energy: 0.399 local terms energy: -290.084250 where: bonds (distance) C4'-P energy: -75.972 bonds (distance) P-C4' energy: -90.146 flat angles C4'-P-C4' energy: -76.746 flat angles P-C4'-P energy: -23.585 tors. eta vs tors. theta energy: -23.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1831.209921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.209921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.209921 (E_RNA) where: Base-Base interactions energy: -1289.033 where: short stacking energy: -515.334 Base-Backbone interact. energy: -0.682 local terms energy: -541.494777 where: bonds (distance) C4'-P energy: -96.919 bonds (distance) P-C4' energy: -98.103 flat angles C4'-P-C4' energy: -114.599 flat angles P-C4'-P energy: -74.200 tors. eta vs tors. theta energy: -157.675 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: 2, replica: 3 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1785.522430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.522430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.522430 (E_RNA) where: Base-Base interactions energy: -1261.056 where: short stacking energy: -504.284 Base-Backbone interact. energy: -1.984 local terms energy: -522.482306 where: bonds (distance) C4'-P energy: -93.591 bonds (distance) P-C4' energy: -83.114 flat angles C4'-P-C4' energy: -113.039 flat angles P-C4'-P energy: -79.525 tors. eta vs tors. theta energy: -153.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1722.246394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.246394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.246394 (E_RNA) where: Base-Base interactions energy: -1213.523 where: short stacking energy: -491.063 Base-Backbone interact. energy: 1.713 local terms energy: -510.436118 where: bonds (distance) C4'-P energy: -84.728 bonds (distance) P-C4' energy: -96.371 flat angles C4'-P-C4' energy: -108.501 flat angles P-C4'-P energy: -74.530 tors. eta vs tors. theta energy: -146.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1628.219600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.219600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.219600 (E_RNA) where: Base-Base interactions energy: -1150.887 where: short stacking energy: -455.590 Base-Backbone interact. energy: 0.055 local terms energy: -477.387557 where: bonds (distance) C4'-P energy: -82.932 bonds (distance) P-C4' energy: -85.714 flat angles C4'-P-C4' energy: -107.430 flat angles P-C4'-P energy: -67.801 tors. eta vs tors. theta energy: -133.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1588.724046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.724046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.724046 (E_RNA) where: Base-Base interactions energy: -1090.022 where: short stacking energy: -444.489 Base-Backbone interact. energy: -3.052 local terms energy: -495.649703 where: bonds (distance) C4'-P energy: -100.019 bonds (distance) P-C4' energy: -85.257 flat angles C4'-P-C4' energy: -111.081 flat angles P-C4'-P energy: -63.403 tors. eta vs tors. theta energy: -135.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1421.041710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.041710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.041710 (E_RNA) where: Base-Base interactions energy: -982.850 where: short stacking energy: -394.919 Base-Backbone interact. energy: 7.977 local terms energy: -446.168123 where: bonds (distance) C4'-P energy: -79.843 bonds (distance) P-C4' energy: -81.710 flat angles C4'-P-C4' energy: -100.846 flat angles P-C4'-P energy: -75.392 tors. eta vs tors. theta energy: -108.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1283.249361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.249361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.249361 (E_RNA) where: Base-Base interactions energy: -867.926 where: short stacking energy: -370.511 Base-Backbone interact. energy: -0.578 local terms energy: -414.746048 where: bonds (distance) C4'-P energy: -82.629 bonds (distance) P-C4' energy: -80.044 flat angles C4'-P-C4' energy: -97.309 flat angles P-C4'-P energy: -51.293 tors. eta vs tors. theta energy: -103.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1203.856782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.856782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.856782 (E_RNA) where: Base-Base interactions energy: -802.501 where: short stacking energy: -330.082 Base-Backbone interact. energy: 0.364 local terms energy: -401.720275 where: bonds (distance) C4'-P energy: -82.803 bonds (distance) P-C4' energy: -74.119 flat angles C4'-P-C4' energy: -84.764 flat angles P-C4'-P energy: -66.168 tors. eta vs tors. theta energy: -93.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -823.297573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.297573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.297573 (E_RNA) where: Base-Base interactions energy: -512.472 where: short stacking energy: -256.941 Base-Backbone interact. energy: -0.638 local terms energy: -310.186982 where: bonds (distance) C4'-P energy: -79.632 bonds (distance) P-C4' energy: -62.685 flat angles C4'-P-C4' energy: -85.181 flat angles P-C4'-P energy: -27.358 tors. eta vs tors. theta energy: -55.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -597.417602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.417602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.417602 (E_RNA) where: Base-Base interactions energy: -322.701 where: short stacking energy: -164.739 Base-Backbone interact. energy: 1.124 local terms energy: -275.840771 where: bonds (distance) C4'-P energy: -76.819 bonds (distance) P-C4' energy: -72.604 flat angles C4'-P-C4' energy: -79.813 flat angles P-C4'-P energy: -33.944 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: 1 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1837.090542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.090542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.090542 (E_RNA) where: Base-Base interactions energy: -1310.379 where: short stacking energy: -521.853 Base-Backbone interact. energy: -4.472 local terms energy: -522.239170 where: bonds (distance) C4'-P energy: -88.941 bonds (distance) P-C4' energy: -91.640 flat angles C4'-P-C4' energy: -110.746 flat angles P-C4'-P energy: -80.017 tors. eta vs tors. theta energy: -150.894 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: 3 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1778.705930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.705930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.705930 (E_RNA) where: Base-Base interactions energy: -1251.843 where: short stacking energy: -522.192 Base-Backbone interact. energy: 0.749 local terms energy: -527.612147 where: bonds (distance) C4'-P energy: -77.065 bonds (distance) P-C4' energy: -97.436 flat angles C4'-P-C4' energy: -112.923 flat angles P-C4'-P energy: -83.177 tors. eta vs tors. theta energy: -157.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1755.908613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.908613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.908613 (E_RNA) where: Base-Base interactions energy: -1239.438 where: short stacking energy: -479.621 Base-Backbone interact. energy: 1.929 local terms energy: -518.399115 where: bonds (distance) C4'-P energy: -97.719 bonds (distance) P-C4' energy: -93.179 flat angles C4'-P-C4' energy: -104.995 flat angles P-C4'-P energy: -67.036 tors. eta vs tors. theta energy: -155.470 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: 4, replica: 9 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1608.020055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.020055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.020055 (E_RNA) where: Base-Base interactions energy: -1117.090 where: short stacking energy: -448.304 Base-Backbone interact. energy: 1.873 local terms energy: -492.803423 where: bonds (distance) C4'-P energy: -82.500 bonds (distance) P-C4' energy: -86.758 flat angles C4'-P-C4' energy: -107.305 flat angles P-C4'-P energy: -77.654 tors. eta vs tors. theta energy: -138.586 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: 6 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1505.904454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.904454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.904454 (E_RNA) where: Base-Base interactions energy: -1057.003 where: short stacking energy: -427.214 Base-Backbone interact. energy: -1.353 local terms energy: -447.548479 where: bonds (distance) C4'-P energy: -78.851 bonds (distance) P-C4' energy: -77.875 flat angles C4'-P-C4' energy: -98.685 flat angles P-C4'-P energy: -62.028 tors. eta vs tors. theta energy: -130.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1404.449421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.449421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.449421 (E_RNA) where: Base-Base interactions energy: -958.329 where: short stacking energy: -383.589 Base-Backbone interact. energy: 0.384 local terms energy: -446.504401 where: bonds (distance) C4'-P energy: -86.974 bonds (distance) P-C4' energy: -89.501 flat angles C4'-P-C4' energy: -101.528 flat angles P-C4'-P energy: -64.361 tors. eta vs tors. theta energy: -104.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1309.257017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.257017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.257017 (E_RNA) where: Base-Base interactions energy: -898.510 where: short stacking energy: -355.023 Base-Backbone interact. energy: -0.467 local terms energy: -410.279842 where: bonds (distance) C4'-P energy: -76.182 bonds (distance) P-C4' energy: -75.408 flat angles C4'-P-C4' energy: -92.761 flat angles P-C4'-P energy: -66.731 tors. eta vs tors. theta energy: -99.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1220.344258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.344258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.344258 (E_RNA) where: Base-Base interactions energy: -828.497 where: short stacking energy: -347.910 Base-Backbone interact. energy: -1.230 local terms energy: -390.617523 where: bonds (distance) C4'-P energy: -75.154 bonds (distance) P-C4' energy: -83.867 flat angles C4'-P-C4' energy: -90.356 flat angles P-C4'-P energy: -45.873 tors. eta vs tors. theta energy: -95.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -792.523429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.523429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.523429 (E_RNA) where: Base-Base interactions energy: -484.582 where: short stacking energy: -210.673 Base-Backbone interact. energy: -0.068 local terms energy: -307.872623 where: bonds (distance) C4'-P energy: -79.064 bonds (distance) P-C4' energy: -76.908 flat angles C4'-P-C4' energy: -77.918 flat angles P-C4'-P energy: -41.482 tors. eta vs tors. theta energy: -32.500 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: 7 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -626.909613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.909613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.909613 (E_RNA) where: Base-Base interactions energy: -319.882 where: short stacking energy: -169.447 Base-Backbone interact. energy: -1.308 local terms energy: -305.718833 where: bonds (distance) C4'-P energy: -73.127 bonds (distance) P-C4' energy: -97.610 flat angles C4'-P-C4' energy: -63.113 flat angles P-C4'-P energy: -52.183 tors. eta vs tors. theta energy: -19.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1827.907992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.907992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.907992 (E_RNA) where: Base-Base interactions energy: -1285.924 where: short stacking energy: -490.194 Base-Backbone interact. energy: -3.930 local terms energy: -538.054111 where: bonds (distance) C4'-P energy: -99.082 bonds (distance) P-C4' energy: -95.312 flat angles C4'-P-C4' energy: -109.713 flat angles P-C4'-P energy: -79.121 tors. eta vs tors. theta energy: -154.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1808.528035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.528035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.528035 (E_RNA) where: Base-Base interactions energy: -1267.834 where: short stacking energy: -507.933 Base-Backbone interact. energy: -2.835 local terms energy: -537.858304 where: bonds (distance) C4'-P energy: -84.581 bonds (distance) P-C4' energy: -93.836 flat angles C4'-P-C4' energy: -116.055 flat angles P-C4'-P energy: -75.753 tors. eta vs tors. theta energy: -167.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1740.818488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.818488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.818488 (E_RNA) where: Base-Base interactions energy: -1224.864 where: short stacking energy: -490.199 Base-Backbone interact. energy: 0.602 local terms energy: -516.555740 where: bonds (distance) C4'-P energy: -74.603 bonds (distance) P-C4' energy: -89.189 flat angles C4'-P-C4' energy: -115.519 flat angles P-C4'-P energy: -73.840 tors. eta vs tors. theta energy: -163.404 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: 4, replica: 9 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1619.135330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.135330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.135330 (E_RNA) where: Base-Base interactions energy: -1141.311 where: short stacking energy: -466.883 Base-Backbone interact. energy: -0.814 local terms energy: -477.010468 where: bonds (distance) C4'-P energy: -78.113 bonds (distance) P-C4' energy: -88.694 flat angles C4'-P-C4' energy: -106.254 flat angles P-C4'-P energy: -69.017 tors. eta vs tors. theta energy: -134.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1477.927192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.927192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.927192 (E_RNA) where: Base-Base interactions energy: -1021.074 where: short stacking energy: -407.084 Base-Backbone interact. energy: -0.875 local terms energy: -455.978294 where: bonds (distance) C4'-P energy: -90.070 bonds (distance) P-C4' energy: -90.117 flat angles C4'-P-C4' energy: -92.763 flat angles P-C4'-P energy: -61.077 tors. eta vs tors. theta energy: -121.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1398.766493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.766493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.766493 (E_RNA) where: Base-Base interactions energy: -966.741 where: short stacking energy: -381.891 Base-Backbone interact. energy: -1.058 local terms energy: -430.967902 where: bonds (distance) C4'-P energy: -90.911 bonds (distance) P-C4' energy: -76.362 flat angles C4'-P-C4' energy: -91.905 flat angles P-C4'-P energy: -65.058 tors. eta vs tors. theta energy: -106.732 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: 10 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1281.438322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.438322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.438322 (E_RNA) where: Base-Base interactions energy: -861.704 where: short stacking energy: -352.265 Base-Backbone interact. energy: -2.049 local terms energy: -417.685036 where: bonds (distance) C4'-P energy: -81.084 bonds (distance) P-C4' energy: -92.803 flat angles C4'-P-C4' energy: -98.211 flat angles P-C4'-P energy: -49.283 tors. eta vs tors. theta energy: -96.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1232.225744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.225744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.225744 (E_RNA) where: Base-Base interactions energy: -845.257 where: short stacking energy: -336.017 Base-Backbone interact. energy: -1.265 local terms energy: -385.703330 where: bonds (distance) C4'-P energy: -68.062 bonds (distance) P-C4' energy: -77.843 flat angles C4'-P-C4' energy: -95.561 flat angles P-C4'-P energy: -59.641 tors. eta vs tors. theta energy: -84.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -772.884583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.884583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.884583 (E_RNA) where: Base-Base interactions energy: -457.259 where: short stacking energy: -212.881 Base-Backbone interact. energy: -1.129 local terms energy: -314.496906 where: bonds (distance) C4'-P energy: -67.197 bonds (distance) P-C4' energy: -65.959 flat angles C4'-P-C4' energy: -85.792 flat angles P-C4'-P energy: -57.189 tors. eta vs tors. theta energy: -38.360 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: 10, replica: 7 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -613.523969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.523969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.523969 (E_RNA) where: Base-Base interactions energy: -310.733 where: short stacking energy: -163.778 Base-Backbone interact. energy: 0.576 local terms energy: -303.367377 where: bonds (distance) C4'-P energy: -87.346 bonds (distance) P-C4' energy: -82.341 flat angles C4'-P-C4' energy: -59.160 flat angles P-C4'-P energy: -44.931 tors. eta vs tors. theta energy: -29.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1837.173379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.173379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.173379 (E_RNA) where: Base-Base interactions energy: -1275.206 where: short stacking energy: -508.544 Base-Backbone interact. energy: -5.365 local terms energy: -556.602511 where: bonds (distance) C4'-P energy: -104.279 bonds (distance) P-C4' energy: -92.403 flat angles C4'-P-C4' energy: -116.378 flat angles P-C4'-P energy: -84.481 tors. eta vs tors. theta energy: -159.061 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: 2, replica: 5 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1758.276772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.276772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.276772 (E_RNA) where: Base-Base interactions energy: -1226.274 where: short stacking energy: -500.698 Base-Backbone interact. energy: 0.139 local terms energy: -532.141967 where: bonds (distance) C4'-P energy: -90.208 bonds (distance) P-C4' energy: -97.923 flat angles C4'-P-C4' energy: -114.018 flat angles P-C4'-P energy: -75.201 tors. eta vs tors. theta energy: -154.792 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: 3 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1776.118228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.118228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.118228 (E_RNA) where: Base-Base interactions energy: -1229.567 where: short stacking energy: -523.997 Base-Backbone interact. energy: 1.700 local terms energy: -548.251739 where: bonds (distance) C4'-P energy: -93.831 bonds (distance) P-C4' energy: -101.696 flat angles C4'-P-C4' energy: -109.456 flat angles P-C4'-P energy: -82.750 tors. eta vs tors. theta energy: -160.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1626.084741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.084741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.084741 (E_RNA) where: Base-Base interactions energy: -1134.207 where: short stacking energy: -462.807 Base-Backbone interact. energy: 1.481 local terms energy: -493.358895 where: bonds (distance) C4'-P energy: -89.851 bonds (distance) P-C4' energy: -87.860 flat angles C4'-P-C4' energy: -105.951 flat angles P-C4'-P energy: -73.009 tors. eta vs tors. theta energy: -136.688 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: 5, replica: 6 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -1488.419195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.419195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.419195 (E_RNA) where: Base-Base interactions energy: -1014.593 where: short stacking energy: -411.912 Base-Backbone interact. energy: -0.114 local terms energy: -473.712958 where: bonds (distance) C4'-P energy: -89.306 bonds (distance) P-C4' energy: -80.460 flat angles C4'-P-C4' energy: -106.932 flat angles P-C4'-P energy: -73.715 tors. eta vs tors. theta energy: -123.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1406.445292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.445292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.445292 (E_RNA) where: Base-Base interactions energy: -966.170 where: short stacking energy: -395.111 Base-Backbone interact. energy: -1.510 local terms energy: -438.765426 where: bonds (distance) C4'-P energy: -87.939 bonds (distance) P-C4' energy: -88.647 flat angles C4'-P-C4' energy: -99.997 flat angles P-C4'-P energy: -54.798 tors. eta vs tors. theta energy: -107.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1308.782765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.782765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.782765 (E_RNA) where: Base-Base interactions energy: -890.796 where: short stacking energy: -392.155 Base-Backbone interact. energy: -0.590 local terms energy: -417.396616 where: bonds (distance) C4'-P energy: -77.251 bonds (distance) P-C4' energy: -83.246 flat angles C4'-P-C4' energy: -95.344 flat angles P-C4'-P energy: -57.190 tors. eta vs tors. theta energy: -104.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1299.600183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.600183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.600183 (E_RNA) where: Base-Base interactions energy: -896.349 where: short stacking energy: -383.557 Base-Backbone interact. energy: -3.456 local terms energy: -399.795432 where: bonds (distance) C4'-P energy: -72.962 bonds (distance) P-C4' energy: -69.159 flat angles C4'-P-C4' energy: -91.995 flat angles P-C4'-P energy: -59.476 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: 9, replica: 2 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -732.170786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.170786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.170786 (E_RNA) where: Base-Base interactions energy: -416.022 where: short stacking energy: -198.054 Base-Backbone interact. energy: -0.413 local terms energy: -315.736554 where: bonds (distance) C4'-P energy: -83.628 bonds (distance) P-C4' energy: -75.947 flat angles C4'-P-C4' energy: -75.223 flat angles P-C4'-P energy: -55.709 tors. eta vs tors. theta energy: -25.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -623.736834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.736834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.736834 (E_RNA) where: Base-Base interactions energy: -314.776 where: short stacking energy: -164.055 Base-Backbone interact. energy: -1.110 local terms energy: -307.850605 where: bonds (distance) C4'-P energy: -85.187 bonds (distance) P-C4' energy: -85.899 flat angles C4'-P-C4' energy: -73.830 flat angles P-C4'-P energy: -45.510 tors. eta vs tors. theta energy: -17.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1820.648213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.648213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.648213 (E_RNA) where: Base-Base interactions energy: -1283.105 where: short stacking energy: -516.279 Base-Backbone interact. energy: -4.436 local terms energy: -533.107347 where: bonds (distance) C4'-P energy: -94.885 bonds (distance) P-C4' energy: -101.230 flat angles C4'-P-C4' energy: -108.699 flat angles P-C4'-P energy: -71.080 tors. eta vs tors. theta energy: -157.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1772.666902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.666902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.666902 (E_RNA) where: Base-Base interactions energy: -1236.230 where: short stacking energy: -508.955 Base-Backbone interact. energy: -1.215 local terms energy: -535.222349 where: bonds (distance) C4'-P energy: -87.498 bonds (distance) P-C4' energy: -100.325 flat angles C4'-P-C4' energy: -110.498 flat angles P-C4'-P energy: -80.316 tors. eta vs tors. theta energy: -156.585 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: 3 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -1768.373604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.373604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.373604 (E_RNA) where: Base-Base interactions energy: -1232.702 where: short stacking energy: -525.123 Base-Backbone interact. energy: -1.018 local terms energy: -534.653061 where: bonds (distance) C4'-P energy: -95.529 bonds (distance) P-C4' energy: -86.822 flat angles C4'-P-C4' energy: -115.616 flat angles P-C4'-P energy: -71.999 tors. eta vs tors. theta energy: -164.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1634.274530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.274530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.274530 (E_RNA) where: Base-Base interactions energy: -1132.425 where: short stacking energy: -452.785 Base-Backbone interact. energy: -0.904 local terms energy: -500.946293 where: bonds (distance) C4'-P energy: -93.799 bonds (distance) P-C4' energy: -96.702 flat angles C4'-P-C4' energy: -94.749 flat angles P-C4'-P energy: -75.631 tors. eta vs tors. theta energy: -140.066 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: 6 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1497.290694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.290694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.290694 (E_RNA) where: Base-Base interactions energy: -1038.671 where: short stacking energy: -418.761 Base-Backbone interact. energy: -2.529 local terms energy: -456.091057 where: bonds (distance) C4'-P energy: -95.621 bonds (distance) P-C4' energy: -83.074 flat angles C4'-P-C4' energy: -100.390 flat angles P-C4'-P energy: -48.962 tors. eta vs tors. theta energy: -128.043 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: 4 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1477.523355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.523355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.523355 (E_RNA) where: Base-Base interactions energy: -1043.120 where: short stacking energy: -419.873 Base-Backbone interact. energy: 6.650 local terms energy: -441.053418 where: bonds (distance) C4'-P energy: -75.184 bonds (distance) P-C4' energy: -98.561 flat angles C4'-P-C4' energy: -93.532 flat angles P-C4'-P energy: -67.506 tors. eta vs tors. theta energy: -106.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1307.289568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.289568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.289568 (E_RNA) where: Base-Base interactions energy: -915.633 where: short stacking energy: -395.238 Base-Backbone interact. energy: -1.110 local terms energy: -390.546185 where: bonds (distance) C4'-P energy: -58.810 bonds (distance) P-C4' energy: -73.988 flat angles C4'-P-C4' energy: -90.840 flat angles P-C4'-P energy: -64.113 tors. eta vs tors. theta energy: -102.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1230.835414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.835414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.835414 (E_RNA) where: Base-Base interactions energy: -826.885 where: short stacking energy: -357.184 Base-Backbone interact. energy: -1.753 local terms energy: -402.197094 where: bonds (distance) C4'-P energy: -86.048 bonds (distance) P-C4' energy: -84.563 flat angles C4'-P-C4' energy: -80.369 flat angles P-C4'-P energy: -59.201 tors. eta vs tors. theta energy: -92.016 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: 2 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -745.283887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.283887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.283887 (E_RNA) where: Base-Base interactions energy: -438.805 where: short stacking energy: -201.471 Base-Backbone interact. energy: 2.242 local terms energy: -308.720667 where: bonds (distance) C4'-P energy: -92.429 bonds (distance) P-C4' energy: -74.063 flat angles C4'-P-C4' energy: -71.670 flat angles P-C4'-P energy: -33.518 tors. eta vs tors. theta energy: -37.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -617.904496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.904496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.904496 (E_RNA) where: Base-Base interactions energy: -335.966 where: short stacking energy: -180.104 Base-Backbone interact. energy: -0.008 local terms energy: -281.930421 where: bonds (distance) C4'-P energy: -73.163 bonds (distance) P-C4' energy: -85.690 flat angles C4'-P-C4' energy: -65.082 flat angles P-C4'-P energy: -44.239 tors. eta vs tors. theta energy: -13.757 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: 1 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1859.227788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.227788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.227788 (E_RNA) where: Base-Base interactions energy: -1294.825 where: short stacking energy: -507.408 Base-Backbone interact. energy: -1.787 local terms energy: -562.615457 where: bonds (distance) C4'-P energy: -100.319 bonds (distance) P-C4' energy: -100.444 flat angles C4'-P-C4' energy: -117.982 flat angles P-C4'-P energy: -79.102 tors. eta vs tors. theta energy: -164.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1799.957102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.957102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.957102 (E_RNA) where: Base-Base interactions energy: -1264.713 where: short stacking energy: -502.118 Base-Backbone interact. energy: -1.208 local terms energy: -534.035978 where: bonds (distance) C4'-P energy: -90.807 bonds (distance) P-C4' energy: -91.550 flat angles C4'-P-C4' energy: -117.289 flat angles P-C4'-P energy: -73.830 tors. eta vs tors. theta energy: -160.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1758.064675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.064675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.064675 (E_RNA) where: Base-Base interactions energy: -1216.130 where: short stacking energy: -506.206 Base-Backbone interact. energy: -0.334 local terms energy: -541.599918 where: bonds (distance) C4'-P energy: -104.337 bonds (distance) P-C4' energy: -103.112 flat angles C4'-P-C4' energy: -108.403 flat angles P-C4'-P energy: -69.443 tors. eta vs tors. theta energy: -156.305 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: 9 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1647.585514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.585514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.585514 (E_RNA) where: Base-Base interactions energy: -1163.104 where: short stacking energy: -475.925 Base-Backbone interact. energy: -1.290 local terms energy: -483.192043 where: bonds (distance) C4'-P energy: -79.485 bonds (distance) P-C4' energy: -92.192 flat angles C4'-P-C4' energy: -108.260 flat angles P-C4'-P energy: -61.934 tors. eta vs tors. theta energy: -141.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -1514.563222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.563222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.563222 (E_RNA) where: Base-Base interactions energy: -1059.235 where: short stacking energy: -429.331 Base-Backbone interact. energy: 6.313 local terms energy: -461.641472 where: bonds (distance) C4'-P energy: -85.269 bonds (distance) P-C4' energy: -86.452 flat angles C4'-P-C4' energy: -103.527 flat angles P-C4'-P energy: -69.099 tors. eta vs tors. theta energy: -117.295 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: 242 Temperature: 1.150000 Total energy: -1453.176335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.176335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.176335 (E_RNA) where: Base-Base interactions energy: -989.418 where: short stacking energy: -407.143 Base-Backbone interact. energy: -0.857 local terms energy: -462.901337 where: bonds (distance) C4'-P energy: -83.967 bonds (distance) P-C4' energy: -86.348 flat angles C4'-P-C4' energy: -102.747 flat angles P-C4'-P energy: -62.030 tors. eta vs tors. theta energy: -127.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1278.055070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.055070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.055070 (E_RNA) where: Base-Base interactions energy: -857.002 where: short stacking energy: -372.152 Base-Backbone interact. energy: 0.795 local terms energy: -421.848155 where: bonds (distance) C4'-P energy: -74.682 bonds (distance) P-C4' energy: -75.383 flat angles C4'-P-C4' energy: -113.209 flat angles P-C4'-P energy: -63.838 tors. eta vs tors. theta energy: -94.737 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: 8 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1199.119819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.119819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.119819 (E_RNA) where: Base-Base interactions energy: -821.330 where: short stacking energy: -342.332 Base-Backbone interact. energy: 0.516 local terms energy: -378.306296 where: bonds (distance) C4'-P energy: -61.628 bonds (distance) P-C4' energy: -66.188 flat angles C4'-P-C4' energy: -91.624 flat angles P-C4'-P energy: -73.082 tors. eta vs tors. theta energy: -85.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -791.110335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.110335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.110335 (E_RNA) where: Base-Base interactions energy: -498.430 where: short stacking energy: -221.610 Base-Backbone interact. energy: 0.873 local terms energy: -293.553459 where: bonds (distance) C4'-P energy: -50.722 bonds (distance) P-C4' energy: -81.025 flat angles C4'-P-C4' energy: -76.760 flat angles P-C4'-P energy: -46.897 tors. eta vs tors. theta energy: -38.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -620.817342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.817342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.817342 (E_RNA) where: Base-Base interactions energy: -343.013 where: short stacking energy: -170.321 Base-Backbone interact. energy: -2.055 local terms energy: -275.749889 where: bonds (distance) C4'-P energy: -82.159 bonds (distance) P-C4' energy: -77.840 flat angles C4'-P-C4' energy: -43.402 flat angles P-C4'-P energy: -54.557 tors. eta vs tors. theta energy: -17.792 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: 1 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1829.198358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.198358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.198358 (E_RNA) where: Base-Base interactions energy: -1287.139 where: short stacking energy: -495.394 Base-Backbone interact. energy: 1.250 local terms energy: -543.309148 where: bonds (distance) C4'-P energy: -89.377 bonds (distance) P-C4' energy: -104.632 flat angles C4'-P-C4' energy: -112.894 flat angles P-C4'-P energy: -85.467 tors. eta vs tors. theta energy: -150.940 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: 2, replica: 5 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1803.494774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.494774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.494774 (E_RNA) where: Base-Base interactions energy: -1250.538 where: short stacking energy: -504.531 Base-Backbone interact. energy: -1.712 local terms energy: -551.245304 where: bonds (distance) C4'-P energy: -102.706 bonds (distance) P-C4' energy: -93.356 flat angles C4'-P-C4' energy: -117.694 flat angles P-C4'-P energy: -78.032 tors. eta vs tors. theta energy: -159.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1793.298752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.298752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.298752 (E_RNA) where: Base-Base interactions energy: -1258.446 where: short stacking energy: -520.430 Base-Backbone interact. energy: 6.305 local terms energy: -541.157235 where: bonds (distance) C4'-P energy: -94.003 bonds (distance) P-C4' energy: -96.423 flat angles C4'-P-C4' energy: -111.987 flat angles P-C4'-P energy: -76.844 tors. eta vs tors. theta energy: -161.899 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: 9 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1635.363552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.363552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.363552 (E_RNA) where: Base-Base interactions energy: -1133.986 where: short stacking energy: -462.360 Base-Backbone interact. energy: 0.457 local terms energy: -501.834968 where: bonds (distance) C4'-P energy: -79.096 bonds (distance) P-C4' energy: -99.947 flat angles C4'-P-C4' energy: -103.071 flat angles P-C4'-P energy: -77.041 tors. eta vs tors. theta energy: -142.680 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: 4 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -1483.452403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.452403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.452403 (E_RNA) where: Base-Base interactions energy: -1055.918 where: short stacking energy: -422.167 Base-Backbone interact. energy: 3.607 local terms energy: -431.140705 where: bonds (distance) C4'-P energy: -84.969 bonds (distance) P-C4' energy: -80.808 flat angles C4'-P-C4' energy: -89.841 flat angles P-C4'-P energy: -64.505 tors. eta vs tors. theta energy: -111.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1381.653525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.653525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.653525 (E_RNA) where: Base-Base interactions energy: -964.681 where: short stacking energy: -386.010 Base-Backbone interact. energy: 0.206 local terms energy: -417.179391 where: bonds (distance) C4'-P energy: -73.031 bonds (distance) P-C4' energy: -86.275 flat angles C4'-P-C4' energy: -89.270 flat angles P-C4'-P energy: -55.319 tors. eta vs tors. theta energy: -113.285 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: 10 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1291.894869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.894869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.894869 (E_RNA) where: Base-Base interactions energy: -866.734 where: short stacking energy: -387.480 Base-Backbone interact. energy: -0.529 local terms energy: -424.631850 where: bonds (distance) C4'-P energy: -67.557 bonds (distance) P-C4' energy: -84.846 flat angles C4'-P-C4' energy: -109.006 flat angles P-C4'-P energy: -65.969 tors. eta vs tors. theta energy: -97.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1202.420389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.420389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.420389 (E_RNA) where: Base-Base interactions energy: -821.897 where: short stacking energy: -347.897 Base-Backbone interact. energy: 1.096 local terms energy: -381.619381 where: bonds (distance) C4'-P energy: -81.531 bonds (distance) P-C4' energy: -71.788 flat angles C4'-P-C4' energy: -78.917 flat angles P-C4'-P energy: -59.762 tors. eta vs tors. theta energy: -89.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -793.608451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.608451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.608451 (E_RNA) where: Base-Base interactions energy: -482.071 where: short stacking energy: -218.191 Base-Backbone interact. energy: -3.524 local terms energy: -308.013491 where: bonds (distance) C4'-P energy: -52.597 bonds (distance) P-C4' energy: -77.954 flat angles C4'-P-C4' energy: -89.118 flat angles P-C4'-P energy: -43.347 tors. eta vs tors. theta energy: -44.997 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: 7 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -658.028749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.028749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.028749 (E_RNA) where: Base-Base interactions energy: -369.672 where: short stacking energy: -193.132 Base-Backbone interact. energy: 1.522 local terms energy: -289.878194 where: bonds (distance) C4'-P energy: -75.708 bonds (distance) P-C4' energy: -75.836 flat angles C4'-P-C4' energy: -56.951 flat angles P-C4'-P energy: -54.364 tors. eta vs tors. theta energy: -27.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1829.332809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.332809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.332809 (E_RNA) where: Base-Base interactions energy: -1278.214 where: short stacking energy: -517.142 Base-Backbone interact. energy: -3.044 local terms energy: -548.074752 where: bonds (distance) C4'-P energy: -98.381 bonds (distance) P-C4' energy: -98.794 flat angles C4'-P-C4' energy: -113.965 flat angles P-C4'-P energy: -78.102 tors. eta vs tors. theta energy: -158.833 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: 244 Temperature: 0.950000 Total energy: -1786.526294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.526294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.526294 (E_RNA) where: Base-Base interactions energy: -1252.827 where: short stacking energy: -510.414 Base-Backbone interact. energy: 1.931 local terms energy: -535.631218 where: bonds (distance) C4'-P energy: -95.846 bonds (distance) P-C4' energy: -88.612 flat angles C4'-P-C4' energy: -113.934 flat angles P-C4'-P energy: -78.624 tors. eta vs tors. theta energy: -158.614 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: 3 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -1764.002365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.002365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.002365 (E_RNA) where: Base-Base interactions energy: -1239.341 where: short stacking energy: -498.122 Base-Backbone interact. energy: 1.105 local terms energy: -525.767047 where: bonds (distance) C4'-P energy: -80.047 bonds (distance) P-C4' energy: -97.814 flat angles C4'-P-C4' energy: -107.507 flat angles P-C4'-P energy: -77.389 tors. eta vs tors. theta energy: -163.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1641.944624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.944624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.944624 (E_RNA) where: Base-Base interactions energy: -1133.813 where: short stacking energy: -464.681 Base-Backbone interact. energy: 1.674 local terms energy: -509.806302 where: bonds (distance) C4'-P energy: -96.027 bonds (distance) P-C4' energy: -98.964 flat angles C4'-P-C4' energy: -109.949 flat angles P-C4'-P energy: -68.080 tors. eta vs tors. theta energy: -136.787 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: 4 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -1496.867321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.867321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.867321 (E_RNA) where: Base-Base interactions energy: -1041.042 where: short stacking energy: -412.866 Base-Backbone interact. energy: 3.157 local terms energy: -458.982101 where: bonds (distance) C4'-P energy: -83.560 bonds (distance) P-C4' energy: -91.443 flat angles C4'-P-C4' energy: -95.676 flat angles P-C4'-P energy: -67.762 tors. eta vs tors. theta energy: -120.541 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: 244 Temperature: 1.150000 Total energy: -1346.213911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.213911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.213911 (E_RNA) where: Base-Base interactions energy: -908.123 where: short stacking energy: -375.348 Base-Backbone interact. energy: -0.561 local terms energy: -437.529740 where: bonds (distance) C4'-P energy: -85.008 bonds (distance) P-C4' energy: -83.113 flat angles C4'-P-C4' energy: -93.769 flat angles P-C4'-P energy: -64.407 tors. eta vs tors. theta energy: -111.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1272.558352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.558352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.558352 (E_RNA) where: Base-Base interactions energy: -846.055 where: short stacking energy: -367.907 Base-Backbone interact. energy: -0.403 local terms energy: -426.100224 where: bonds (distance) C4'-P energy: -92.420 bonds (distance) P-C4' energy: -81.095 flat angles C4'-P-C4' energy: -95.372 flat angles P-C4'-P energy: -61.974 tors. eta vs tors. theta energy: -95.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1194.456182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.456182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.456182 (E_RNA) where: Base-Base interactions energy: -812.310 where: short stacking energy: -332.717 Base-Backbone interact. energy: 3.023 local terms energy: -385.169687 where: bonds (distance) C4'-P energy: -92.632 bonds (distance) P-C4' energy: -73.128 flat angles C4'-P-C4' energy: -79.093 flat angles P-C4'-P energy: -51.500 tors. eta vs tors. theta energy: -88.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -760.456819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.456819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.456819 (E_RNA) where: Base-Base interactions energy: -434.392 where: short stacking energy: -201.329 Base-Backbone interact. energy: -0.214 local terms energy: -325.850003 where: bonds (distance) C4'-P energy: -91.667 bonds (distance) P-C4' energy: -79.255 flat angles C4'-P-C4' energy: -74.676 flat angles P-C4'-P energy: -52.979 tors. eta vs tors. theta energy: -27.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -682.045859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.045859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.045859 (E_RNA) where: Base-Base interactions energy: -369.311 where: short stacking energy: -191.633 Base-Backbone interact. energy: 3.843 local terms energy: -316.578074 where: bonds (distance) C4'-P energy: -78.701 bonds (distance) P-C4' energy: -81.700 flat angles C4'-P-C4' energy: -86.908 flat angles P-C4'-P energy: -40.639 tors. eta vs tors. theta energy: -28.630 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: 1 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1830.654905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.654905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.654905 (E_RNA) where: Base-Base interactions energy: -1298.621 where: short stacking energy: -518.620 Base-Backbone interact. energy: -1.639 local terms energy: -530.394377 where: bonds (distance) C4'-P energy: -83.775 bonds (distance) P-C4' energy: -102.331 flat angles C4'-P-C4' energy: -104.517 flat angles P-C4'-P energy: -79.861 tors. eta vs tors. theta energy: -159.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -1800.635734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.635734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.635734 (E_RNA) where: Base-Base interactions energy: -1267.367 where: short stacking energy: -505.900 Base-Backbone interact. energy: -1.078 local terms energy: -532.190225 where: bonds (distance) C4'-P energy: -94.506 bonds (distance) P-C4' energy: -91.803 flat angles C4'-P-C4' energy: -111.769 flat angles P-C4'-P energy: -79.441 tors. eta vs tors. theta energy: -154.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1758.256701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.256701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.256701 (E_RNA) where: Base-Base interactions energy: -1243.280 where: short stacking energy: -509.078 Base-Backbone interact. energy: -1.197 local terms energy: -513.779896 where: bonds (distance) C4'-P energy: -92.888 bonds (distance) P-C4' energy: -82.712 flat angles C4'-P-C4' energy: -105.074 flat angles P-C4'-P energy: -77.191 tors. eta vs tors. theta energy: -155.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1654.568094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.568094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.568094 (E_RNA) where: Base-Base interactions energy: -1144.851 where: short stacking energy: -473.935 Base-Backbone interact. energy: -1.941 local terms energy: -507.776885 where: bonds (distance) C4'-P energy: -95.149 bonds (distance) P-C4' energy: -98.313 flat angles C4'-P-C4' energy: -98.823 flat angles P-C4'-P energy: -72.620 tors. eta vs tors. theta energy: -142.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -1494.099049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.099049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.099049 (E_RNA) where: Base-Base interactions energy: -1061.103 where: short stacking energy: -418.184 Base-Backbone interact. energy: 3.876 local terms energy: -436.872535 where: bonds (distance) C4'-P energy: -78.016 bonds (distance) P-C4' energy: -83.753 flat angles C4'-P-C4' energy: -89.698 flat angles P-C4'-P energy: -58.848 tors. eta vs tors. theta energy: -126.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1322.085312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.085312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.085312 (E_RNA) where: Base-Base interactions energy: -877.204 where: short stacking energy: -387.771 Base-Backbone interact. energy: 0.896 local terms energy: -445.777134 where: bonds (distance) C4'-P energy: -93.288 bonds (distance) P-C4' energy: -81.850 flat angles C4'-P-C4' energy: -91.826 flat angles P-C4'-P energy: -64.909 tors. eta vs tors. theta energy: -113.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1315.693270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.693270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.693270 (E_RNA) where: Base-Base interactions energy: -899.732 where: short stacking energy: -358.349 Base-Backbone interact. energy: -0.932 local terms energy: -415.028641 where: bonds (distance) C4'-P energy: -82.958 bonds (distance) P-C4' energy: -83.674 flat angles C4'-P-C4' energy: -92.624 flat angles P-C4'-P energy: -61.995 tors. eta vs tors. theta energy: -93.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1205.195436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.195436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.195436 (E_RNA) where: Base-Base interactions energy: -814.131 where: short stacking energy: -324.391 Base-Backbone interact. energy: -1.995 local terms energy: -389.069502 where: bonds (distance) C4'-P energy: -76.470 bonds (distance) P-C4' energy: -88.805 flat angles C4'-P-C4' energy: -94.300 flat angles P-C4'-P energy: -57.670 tors. eta vs tors. theta energy: -71.825 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: 2 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -817.043666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.043666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.043666 (E_RNA) where: Base-Base interactions energy: -506.517 where: short stacking energy: -236.657 Base-Backbone interact. energy: 1.686 local terms energy: -312.212764 where: bonds (distance) C4'-P energy: -73.046 bonds (distance) P-C4' energy: -77.769 flat angles C4'-P-C4' energy: -79.459 flat angles P-C4'-P energy: -39.226 tors. eta vs tors. theta energy: -42.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -610.417172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.417172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.417172 (E_RNA) where: Base-Base interactions energy: -318.392 where: short stacking energy: -160.706 Base-Backbone interact. energy: 2.333 local terms energy: -294.358279 where: bonds (distance) C4'-P energy: -94.920 bonds (distance) P-C4' energy: -84.275 flat angles C4'-P-C4' energy: -73.964 flat angles P-C4'-P energy: -27.051 tors. eta vs tors. theta energy: -14.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1860.537436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.537436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.537436 (E_RNA) where: Base-Base interactions energy: -1293.216 where: short stacking energy: -531.172 Base-Backbone interact. energy: -2.087 local terms energy: -565.234270 where: bonds (distance) C4'-P energy: -103.589 bonds (distance) P-C4' energy: -93.038 flat angles C4'-P-C4' energy: -120.926 flat angles P-C4'-P energy: -84.277 tors. eta vs tors. theta energy: -163.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1784.055071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.055071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.055071 (E_RNA) where: Base-Base interactions energy: -1248.310 where: short stacking energy: -498.878 Base-Backbone interact. energy: -1.594 local terms energy: -534.150654 where: bonds (distance) C4'-P energy: -105.071 bonds (distance) P-C4' energy: -89.089 flat angles C4'-P-C4' energy: -113.024 flat angles P-C4'-P energy: -67.279 tors. eta vs tors. theta energy: -159.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1770.517143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.517143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.517143 (E_RNA) where: Base-Base interactions energy: -1234.594 where: short stacking energy: -519.742 Base-Backbone interact. energy: -2.200 local terms energy: -533.723655 where: bonds (distance) C4'-P energy: -92.351 bonds (distance) P-C4' energy: -97.770 flat angles C4'-P-C4' energy: -113.626 flat angles P-C4'-P energy: -72.856 tors. eta vs tors. theta energy: -157.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1641.981538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.981538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.981538 (E_RNA) where: Base-Base interactions energy: -1131.300 where: short stacking energy: -461.233 Base-Backbone interact. energy: -0.876 local terms energy: -509.805127 where: bonds (distance) C4'-P energy: -95.061 bonds (distance) P-C4' energy: -83.688 flat angles C4'-P-C4' energy: -113.133 flat angles P-C4'-P energy: -74.701 tors. eta vs tors. theta energy: -143.222 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: 4 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -1474.472113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.472113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.472113 (E_RNA) where: Base-Base interactions energy: -1021.040 where: short stacking energy: -414.481 Base-Backbone interact. energy: -2.241 local terms energy: -451.191312 where: bonds (distance) C4'-P energy: -82.041 bonds (distance) P-C4' energy: -99.694 flat angles C4'-P-C4' energy: -97.370 flat angles P-C4'-P energy: -57.680 tors. eta vs tors. theta energy: -114.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1320.003932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.003932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.003932 (E_RNA) where: Base-Base interactions energy: -881.083 where: short stacking energy: -383.157 Base-Backbone interact. energy: -0.073 local terms energy: -438.847477 where: bonds (distance) C4'-P energy: -79.871 bonds (distance) P-C4' energy: -98.323 flat angles C4'-P-C4' energy: -93.169 flat angles P-C4'-P energy: -62.080 tors. eta vs tors. theta energy: -105.405 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: 246 Temperature: 1.200000 Total energy: -1328.376049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.376049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.376049 (E_RNA) where: Base-Base interactions energy: -947.474 where: short stacking energy: -369.014 Base-Backbone interact. energy: -1.322 local terms energy: -379.579601 where: bonds (distance) C4'-P energy: -67.428 bonds (distance) P-C4' energy: -74.632 flat angles C4'-P-C4' energy: -88.224 flat angles P-C4'-P energy: -50.007 tors. eta vs tors. theta energy: -99.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1253.944749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.944749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.944749 (E_RNA) where: Base-Base interactions energy: -871.188 where: short stacking energy: -363.848 Base-Backbone interact. energy: -4.460 local terms energy: -378.296846 where: bonds (distance) C4'-P energy: -64.735 bonds (distance) P-C4' energy: -87.288 flat angles C4'-P-C4' energy: -76.897 flat angles P-C4'-P energy: -53.815 tors. eta vs tors. theta energy: -95.563 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: 2 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -900.027228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.027228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.027228 (E_RNA) where: Base-Base interactions energy: -583.302 where: short stacking energy: -264.773 Base-Backbone interact. energy: -0.840 local terms energy: -315.885275 where: bonds (distance) C4'-P energy: -63.358 bonds (distance) P-C4' energy: -73.131 flat angles C4'-P-C4' energy: -87.836 flat angles P-C4'-P energy: -37.982 tors. eta vs tors. theta energy: -53.579 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: 7 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -641.899855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.899855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.899855 (E_RNA) where: Base-Base interactions energy: -368.190 where: short stacking energy: -178.796 Base-Backbone interact. energy: 4.037 local terms energy: -277.746412 where: bonds (distance) C4'-P energy: -77.362 bonds (distance) P-C4' energy: -64.898 flat angles C4'-P-C4' energy: -76.879 flat angles P-C4'-P energy: -39.575 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: 1 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1838.017210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.017210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.017210 (E_RNA) where: Base-Base interactions energy: -1261.183 where: short stacking energy: -498.493 Base-Backbone interact. energy: -1.786 local terms energy: -575.047911 where: bonds (distance) C4'-P energy: -106.849 bonds (distance) P-C4' energy: -109.984 flat angles C4'-P-C4' energy: -116.987 flat angles P-C4'-P energy: -81.410 tors. eta vs tors. theta energy: -159.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1775.593982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.593982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.593982 (E_RNA) where: Base-Base interactions energy: -1248.654 where: short stacking energy: -504.383 Base-Backbone interact. energy: -0.662 local terms energy: -526.278336 where: bonds (distance) C4'-P energy: -90.422 bonds (distance) P-C4' energy: -91.891 flat angles C4'-P-C4' energy: -114.780 flat angles P-C4'-P energy: -71.400 tors. eta vs tors. theta energy: -157.786 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: 3 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1730.175736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.175736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.175736 (E_RNA) where: Base-Base interactions energy: -1214.150 where: short stacking energy: -502.307 Base-Backbone interact. energy: 1.963 local terms energy: -517.988247 where: bonds (distance) C4'-P energy: -85.785 bonds (distance) P-C4' energy: -88.973 flat angles C4'-P-C4' energy: -113.410 flat angles P-C4'-P energy: -71.972 tors. eta vs tors. theta energy: -157.847 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: 4, replica: 9 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1637.793417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.793417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.793417 (E_RNA) where: Base-Base interactions energy: -1159.262 where: short stacking energy: -467.701 Base-Backbone interact. energy: -0.818 local terms energy: -477.712878 where: bonds (distance) C4'-P energy: -81.182 bonds (distance) P-C4' energy: -83.013 flat angles C4'-P-C4' energy: -100.487 flat angles P-C4'-P energy: -70.929 tors. eta vs tors. theta energy: -142.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -1502.746980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.746980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.746980 (E_RNA) where: Base-Base interactions energy: -1054.908 where: short stacking energy: -431.937 Base-Backbone interact. energy: -0.238 local terms energy: -447.601297 where: bonds (distance) C4'-P energy: -76.019 bonds (distance) P-C4' energy: -92.275 flat angles C4'-P-C4' energy: -94.474 flat angles P-C4'-P energy: -66.889 tors. eta vs tors. theta energy: -117.945 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: 6 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1357.100352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.100352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.100352 (E_RNA) where: Base-Base interactions energy: -925.861 where: short stacking energy: -358.360 Base-Backbone interact. energy: -1.331 local terms energy: -429.907647 where: bonds (distance) C4'-P energy: -66.584 bonds (distance) P-C4' energy: -92.968 flat angles C4'-P-C4' energy: -97.305 flat angles P-C4'-P energy: -64.146 tors. eta vs tors. theta energy: -108.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1301.443011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.443011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.443011 (E_RNA) where: Base-Base interactions energy: -879.596 where: short stacking energy: -360.384 Base-Backbone interact. energy: -1.946 local terms energy: -419.901469 where: bonds (distance) C4'-P energy: -77.130 bonds (distance) P-C4' energy: -81.695 flat angles C4'-P-C4' energy: -96.366 flat angles P-C4'-P energy: -65.227 tors. eta vs tors. theta energy: -99.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1234.282326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.282326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.282326 (E_RNA) where: Base-Base interactions energy: -832.244 where: short stacking energy: -343.982 Base-Backbone interact. energy: -1.498 local terms energy: -400.539991 where: bonds (distance) C4'-P energy: -70.075 bonds (distance) P-C4' energy: -85.957 flat angles C4'-P-C4' energy: -94.655 flat angles P-C4'-P energy: -60.545 tors. eta vs tors. theta energy: -89.308 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: 2 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -974.635344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.635344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.635344 (E_RNA) where: Base-Base interactions energy: -616.050 where: short stacking energy: -278.408 Base-Backbone interact. energy: 1.108 local terms energy: -359.694022 where: bonds (distance) C4'-P energy: -92.432 bonds (distance) P-C4' energy: -79.243 flat angles C4'-P-C4' energy: -91.578 flat angles P-C4'-P energy: -43.293 tors. eta vs tors. theta energy: -53.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -593.399685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.399685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.399685 (E_RNA) where: Base-Base interactions energy: -321.137 where: short stacking energy: -167.277 Base-Backbone interact. energy: 0.035 local terms energy: -272.298197 where: bonds (distance) C4'-P energy: -70.829 bonds (distance) P-C4' energy: -83.880 flat angles C4'-P-C4' energy: -75.298 flat angles P-C4'-P energy: -40.434 tors. eta vs tors. theta energy: -1.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1832.322580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.322580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.322580 (E_RNA) where: Base-Base interactions energy: -1278.706 where: short stacking energy: -495.086 Base-Backbone interact. energy: -1.933 local terms energy: -551.683812 where: bonds (distance) C4'-P energy: -94.211 bonds (distance) P-C4' energy: -100.203 flat angles C4'-P-C4' energy: -115.359 flat angles P-C4'-P energy: -82.080 tors. eta vs tors. theta energy: -159.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1785.889743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.889743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.889743 (E_RNA) where: Base-Base interactions energy: -1248.468 where: short stacking energy: -493.227 Base-Backbone interact. energy: -0.844 local terms energy: -536.578250 where: bonds (distance) C4'-P energy: -89.684 bonds (distance) P-C4' energy: -98.827 flat angles C4'-P-C4' energy: -115.876 flat angles P-C4'-P energy: -73.617 tors. eta vs tors. theta energy: -158.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1716.429261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.429261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.429261 (E_RNA) where: Base-Base interactions energy: -1204.224 where: short stacking energy: -504.655 Base-Backbone interact. energy: -0.636 local terms energy: -511.569002 where: bonds (distance) C4'-P energy: -83.529 bonds (distance) P-C4' energy: -87.575 flat angles C4'-P-C4' energy: -107.586 flat angles P-C4'-P energy: -76.226 tors. eta vs tors. theta energy: -156.654 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: 248 Temperature: 1.050000 Total energy: -1636.590870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.590870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.590870 (E_RNA) where: Base-Base interactions energy: -1139.708 where: short stacking energy: -473.461 Base-Backbone interact. energy: 0.617 local terms energy: -497.499580 where: bonds (distance) C4'-P energy: -87.677 bonds (distance) P-C4' energy: -84.005 flat angles C4'-P-C4' energy: -100.644 flat angles P-C4'-P energy: -83.598 tors. eta vs tors. theta energy: -141.577 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: 4 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -1544.632701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.632701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.632701 (E_RNA) where: Base-Base interactions energy: -1094.494 where: short stacking energy: -425.039 Base-Backbone interact. energy: -2.859 local terms energy: -447.279034 where: bonds (distance) C4'-P energy: -74.356 bonds (distance) P-C4' energy: -88.746 flat angles C4'-P-C4' energy: -93.646 flat angles P-C4'-P energy: -67.992 tors. eta vs tors. theta energy: -122.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1344.718224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.718224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.718224 (E_RNA) where: Base-Base interactions energy: -923.493 where: short stacking energy: -374.121 Base-Backbone interact. energy: -1.339 local terms energy: -419.886079 where: bonds (distance) C4'-P energy: -80.108 bonds (distance) P-C4' energy: -81.821 flat angles C4'-P-C4' energy: -101.191 flat angles P-C4'-P energy: -53.593 tors. eta vs tors. theta energy: -103.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1297.055788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.055788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.055788 (E_RNA) where: Base-Base interactions energy: -870.217 where: short stacking energy: -369.311 Base-Backbone interact. energy: -1.693 local terms energy: -425.145812 where: bonds (distance) C4'-P energy: -90.487 bonds (distance) P-C4' energy: -81.648 flat angles C4'-P-C4' energy: -98.510 flat angles P-C4'-P energy: -53.814 tors. eta vs tors. theta energy: -100.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1205.373045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.373045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.373045 (E_RNA) where: Base-Base interactions energy: -797.903 where: short stacking energy: -324.173 Base-Backbone interact. energy: 2.422 local terms energy: -409.892780 where: bonds (distance) C4'-P energy: -71.796 bonds (distance) P-C4' energy: -86.325 flat angles C4'-P-C4' energy: -95.314 flat angles P-C4'-P energy: -69.255 tors. eta vs tors. theta energy: -87.202 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: 2 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -988.523172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.523172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.523172 (E_RNA) where: Base-Base interactions energy: -654.694 where: short stacking energy: -251.687 Base-Backbone interact. energy: -0.525 local terms energy: -333.304242 where: bonds (distance) C4'-P energy: -69.559 bonds (distance) P-C4' energy: -80.125 flat angles C4'-P-C4' energy: -75.838 flat angles P-C4'-P energy: -49.829 tors. eta vs tors. theta energy: -57.953 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: 7 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -615.133267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.133267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.133267 (E_RNA) where: Base-Base interactions energy: -331.537 where: short stacking energy: -180.254 Base-Backbone interact. energy: -0.683 local terms energy: -282.913395 where: bonds (distance) C4'-P energy: -81.164 bonds (distance) P-C4' energy: -75.860 flat angles C4'-P-C4' energy: -53.516 flat angles P-C4'-P energy: -53.019 tors. eta vs tors. theta energy: -19.354 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: 1, replica: 1 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1860.268481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.268481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.268481 (E_RNA) where: Base-Base interactions energy: -1316.015 where: short stacking energy: -533.045 Base-Backbone interact. energy: -2.643 local terms energy: -541.610862 where: bonds (distance) C4'-P energy: -97.366 bonds (distance) P-C4' energy: -94.151 flat angles C4'-P-C4' energy: -119.483 flat angles P-C4'-P energy: -67.773 tors. eta vs tors. theta energy: -162.837 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: 5 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1794.414915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.414915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.414915 (E_RNA) where: Base-Base interactions energy: -1253.725 where: short stacking energy: -499.324 Base-Backbone interact. energy: -1.673 local terms energy: -539.016650 where: bonds (distance) C4'-P energy: -102.664 bonds (distance) P-C4' energy: -92.086 flat angles C4'-P-C4' energy: -110.166 flat angles P-C4'-P energy: -81.666 tors. eta vs tors. theta energy: -152.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1715.906625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.906625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.906625 (E_RNA) where: Base-Base interactions energy: -1187.613 where: short stacking energy: -486.485 Base-Backbone interact. energy: 0.500 local terms energy: -528.794069 where: bonds (distance) C4'-P energy: -91.608 bonds (distance) P-C4' energy: -91.738 flat angles C4'-P-C4' energy: -108.190 flat angles P-C4'-P energy: -79.104 tors. eta vs tors. theta energy: -158.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -1607.901261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.901261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.901261 (E_RNA) where: Base-Base interactions energy: -1114.135 where: short stacking energy: -445.759 Base-Backbone interact. energy: -0.310 local terms energy: -493.455387 where: bonds (distance) C4'-P energy: -90.995 bonds (distance) P-C4' energy: -77.882 flat angles C4'-P-C4' energy: -114.374 flat angles P-C4'-P energy: -83.252 tors. eta vs tors. theta energy: -126.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -1507.670647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.670647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.670647 (E_RNA) where: Base-Base interactions energy: -1062.363 where: short stacking energy: -431.831 Base-Backbone interact. energy: 0.172 local terms energy: -445.480501 where: bonds (distance) C4'-P energy: -64.994 bonds (distance) P-C4' energy: -98.195 flat angles C4'-P-C4' energy: -100.130 flat angles P-C4'-P energy: -60.614 tors. eta vs tors. theta energy: -121.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1379.960215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.960215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.960215 (E_RNA) where: Base-Base interactions energy: -951.200 where: short stacking energy: -381.019 Base-Backbone interact. energy: 1.037 local terms energy: -429.797641 where: bonds (distance) C4'-P energy: -78.965 bonds (distance) P-C4' energy: -82.558 flat angles C4'-P-C4' energy: -105.384 flat angles P-C4'-P energy: -51.772 tors. eta vs tors. theta energy: -111.118 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: 10 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1300.560476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.560476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.560476 (E_RNA) where: Base-Base interactions energy: -866.241 where: short stacking energy: -361.158 Base-Backbone interact. energy: -2.083 local terms energy: -432.236145 where: bonds (distance) C4'-P energy: -83.300 bonds (distance) P-C4' energy: -84.852 flat angles C4'-P-C4' energy: -91.808 flat angles P-C4'-P energy: -68.251 tors. eta vs tors. theta energy: -104.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1131.004687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.004687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.004687 (E_RNA) where: Base-Base interactions energy: -754.863 where: short stacking energy: -324.557 Base-Backbone interact. energy: -0.722 local terms energy: -375.419561 where: bonds (distance) C4'-P energy: -76.974 bonds (distance) P-C4' energy: -100.731 flat angles C4'-P-C4' energy: -67.324 flat angles P-C4'-P energy: -51.570 tors. eta vs tors. theta energy: -78.821 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: 9, replica: 2 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -966.993077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.993077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.993077 (E_RNA) where: Base-Base interactions energy: -621.681 where: short stacking energy: -290.396 Base-Backbone interact. energy: -1.644 local terms energy: -343.668441 where: bonds (distance) C4'-P energy: -68.244 bonds (distance) P-C4' energy: -77.078 flat angles C4'-P-C4' energy: -88.395 flat angles P-C4'-P energy: -53.949 tors. eta vs tors. theta energy: -56.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -657.119231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.119231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.119231 (E_RNA) where: Base-Base interactions energy: -372.785 where: short stacking energy: -179.957 Base-Backbone interact. energy: 1.806 local terms energy: -286.140282 where: bonds (distance) C4'-P energy: -83.522 bonds (distance) P-C4' energy: -75.481 flat angles C4'-P-C4' energy: -63.852 flat angles P-C4'-P energy: -48.801 tors. eta vs tors. theta energy: -14.485 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: 1 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1828.791303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.791303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.791303 (E_RNA) where: Base-Base interactions energy: -1286.872 where: short stacking energy: -497.593 Base-Backbone interact. energy: -4.183 local terms energy: -537.735857 where: bonds (distance) C4'-P energy: -99.001 bonds (distance) P-C4' energy: -94.439 flat angles C4'-P-C4' energy: -106.728 flat angles P-C4'-P energy: -75.652 tors. eta vs tors. theta energy: -161.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1757.445802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.445802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.445802 (E_RNA) where: Base-Base interactions energy: -1241.427 where: short stacking energy: -508.935 Base-Backbone interact. energy: -0.006 local terms energy: -516.012870 where: bonds (distance) C4'-P energy: -87.328 bonds (distance) P-C4' energy: -89.348 flat angles C4'-P-C4' energy: -110.272 flat angles P-C4'-P energy: -74.765 tors. eta vs tors. theta energy: -154.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1716.294980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.294980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.294980 (E_RNA) where: Base-Base interactions energy: -1199.497 where: short stacking energy: -494.176 Base-Backbone interact. energy: 0.514 local terms energy: -517.312239 where: bonds (distance) C4'-P energy: -98.589 bonds (distance) P-C4' energy: -93.560 flat angles C4'-P-C4' energy: -105.466 flat angles P-C4'-P energy: -70.941 tors. eta vs tors. theta energy: -148.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1635.995544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.995544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.995544 (E_RNA) where: Base-Base interactions energy: -1130.041 where: short stacking energy: -466.846 Base-Backbone interact. energy: 3.414 local terms energy: -509.368987 where: bonds (distance) C4'-P energy: -88.868 bonds (distance) P-C4' energy: -89.733 flat angles C4'-P-C4' energy: -114.557 flat angles P-C4'-P energy: -76.142 tors. eta vs tors. theta energy: -140.068 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: 4 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -1481.994624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.994624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.994624 (E_RNA) where: Base-Base interactions energy: -1036.559 where: short stacking energy: -416.592 Base-Backbone interact. energy: -2.987 local terms energy: -442.448710 where: bonds (distance) C4'-P energy: -75.174 bonds (distance) P-C4' energy: -95.057 flat angles C4'-P-C4' energy: -100.161 flat angles P-C4'-P energy: -60.449 tors. eta vs tors. theta energy: -111.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1394.149527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.149527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.149527 (E_RNA) where: Base-Base interactions energy: -947.156 where: short stacking energy: -374.942 Base-Backbone interact. energy: -1.179 local terms energy: -445.814780 where: bonds (distance) C4'-P energy: -75.384 bonds (distance) P-C4' energy: -85.105 flat angles C4'-P-C4' energy: -98.469 flat angles P-C4'-P energy: -70.292 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: 7, replica: 10 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1325.950244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.950244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.950244 (E_RNA) where: Base-Base interactions energy: -898.190 where: short stacking energy: -378.788 Base-Backbone interact. energy: 3.954 local terms energy: -431.714450 where: bonds (distance) C4'-P energy: -81.048 bonds (distance) P-C4' energy: -80.023 flat angles C4'-P-C4' energy: -101.222 flat angles P-C4'-P energy: -63.907 tors. eta vs tors. theta energy: -105.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1172.125306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.125306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.125306 (E_RNA) where: Base-Base interactions energy: -788.892 where: short stacking energy: -317.332 Base-Backbone interact. energy: -1.438 local terms energy: -381.794683 where: bonds (distance) C4'-P energy: -69.397 bonds (distance) P-C4' energy: -85.380 flat angles C4'-P-C4' energy: -91.285 flat angles P-C4'-P energy: -57.412 tors. eta vs tors. theta energy: -78.321 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: 2 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -1001.196764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.196764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.196764 (E_RNA) where: Base-Base interactions energy: -679.713 where: short stacking energy: -291.371 Base-Backbone interact. energy: -1.205 local terms energy: -320.278438 where: bonds (distance) C4'-P energy: -64.780 bonds (distance) P-C4' energy: -71.735 flat angles C4'-P-C4' energy: -88.437 flat angles P-C4'-P energy: -31.224 tors. eta vs tors. theta energy: -64.102 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: 250 Temperature: 1.350000 Total energy: -604.948185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.948185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.948185 (E_RNA) where: Base-Base interactions energy: -325.255 where: short stacking energy: -168.085 Base-Backbone interact. energy: 1.835 local terms energy: -281.527997 where: bonds (distance) C4'-P energy: -70.406 bonds (distance) P-C4' energy: -79.652 flat angles C4'-P-C4' energy: -73.629 flat angles P-C4'-P energy: -45.448 tors. eta vs tors. theta energy: -12.393 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: 1 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1827.791965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.791965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.791965 (E_RNA) where: Base-Base interactions energy: -1307.099 where: short stacking energy: -499.262 Base-Backbone interact. energy: -3.522 local terms energy: -517.171543 where: bonds (distance) C4'-P energy: -96.718 bonds (distance) P-C4' energy: -96.640 flat angles C4'-P-C4' energy: -103.489 flat angles P-C4'-P energy: -78.631 tors. eta vs tors. theta energy: -141.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1770.415353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.415353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.415353 (E_RNA) where: Base-Base interactions energy: -1239.351 where: short stacking energy: -520.221 Base-Backbone interact. energy: -0.867 local terms energy: -530.196540 where: bonds (distance) C4'-P energy: -84.933 bonds (distance) P-C4' energy: -89.321 flat angles C4'-P-C4' energy: -113.394 flat angles P-C4'-P energy: -80.467 tors. eta vs tors. theta energy: -162.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1747.771971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.771971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.771971 (E_RNA) where: Base-Base interactions energy: -1225.499 where: short stacking energy: -516.982 Base-Backbone interact. energy: -1.872 local terms energy: -520.400495 where: bonds (distance) C4'-P energy: -86.250 bonds (distance) P-C4' energy: -87.677 flat angles C4'-P-C4' energy: -107.315 flat angles P-C4'-P energy: -80.756 tors. eta vs tors. theta energy: -158.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1632.423417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.423417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.423417 (E_RNA) where: Base-Base interactions energy: -1139.634 where: short stacking energy: -458.810 Base-Backbone interact. energy: -0.983 local terms energy: -491.806695 where: bonds (distance) C4'-P energy: -81.201 bonds (distance) P-C4' energy: -95.092 flat angles C4'-P-C4' energy: -101.859 flat angles P-C4'-P energy: -80.719 tors. eta vs tors. theta energy: -132.936 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: 4 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1497.371678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.371678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.371678 (E_RNA) where: Base-Base interactions energy: -1050.695 where: short stacking energy: -432.906 Base-Backbone interact. energy: -1.386 local terms energy: -445.291219 where: bonds (distance) C4'-P energy: -76.406 bonds (distance) P-C4' energy: -84.413 flat angles C4'-P-C4' energy: -96.774 flat angles P-C4'-P energy: -68.535 tors. eta vs tors. theta energy: -119.164 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: 10 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1337.659539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.659539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.659539 (E_RNA) where: Base-Base interactions energy: -869.370 where: short stacking energy: -380.623 Base-Backbone interact. energy: -2.027 local terms energy: -466.262761 where: bonds (distance) C4'-P energy: -84.320 bonds (distance) P-C4' energy: -89.515 flat angles C4'-P-C4' energy: -106.322 flat angles P-C4'-P energy: -72.634 tors. eta vs tors. theta energy: -113.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1327.174611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.174611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.174611 (E_RNA) where: Base-Base interactions energy: -921.980 where: short stacking energy: -382.109 Base-Backbone interact. energy: 1.935 local terms energy: -407.129497 where: bonds (distance) C4'-P energy: -57.379 bonds (distance) P-C4' energy: -90.942 flat angles C4'-P-C4' energy: -106.179 flat angles P-C4'-P energy: -59.948 tors. eta vs tors. theta energy: -92.683 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: 8 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1195.340069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.340069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.340069 (E_RNA) where: Base-Base interactions energy: -799.312 where: short stacking energy: -315.006 Base-Backbone interact. energy: -1.487 local terms energy: -394.541581 where: bonds (distance) C4'-P energy: -88.596 bonds (distance) P-C4' energy: -75.450 flat angles C4'-P-C4' energy: -84.872 flat angles P-C4'-P energy: -55.298 tors. eta vs tors. theta energy: -90.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -1022.176312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.176312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.176312 (E_RNA) where: Base-Base interactions energy: -662.226 where: short stacking energy: -263.126 Base-Backbone interact. energy: 0.259 local terms energy: -360.209605 where: bonds (distance) C4'-P energy: -71.750 bonds (distance) P-C4' energy: -79.364 flat angles C4'-P-C4' energy: -95.002 flat angles P-C4'-P energy: -56.612 tors. eta vs tors. theta energy: -57.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -606.855322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.855322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.855322 (E_RNA) where: Base-Base interactions energy: -332.964 where: short stacking energy: -166.887 Base-Backbone interact. energy: 0.095 local terms energy: -273.986763 where: bonds (distance) C4'-P energy: -72.424 bonds (distance) P-C4' energy: -77.564 flat angles C4'-P-C4' energy: -74.788 flat angles P-C4'-P energy: -43.769 tors. eta vs tors. theta energy: -5.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1835.667997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.667997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.667997 (E_RNA) where: Base-Base interactions energy: -1286.880 where: short stacking energy: -511.116 Base-Backbone interact. energy: -3.593 local terms energy: -545.194569 where: bonds (distance) C4'-P energy: -105.879 bonds (distance) P-C4' energy: -95.485 flat angles C4'-P-C4' energy: -103.575 flat angles P-C4'-P energy: -88.520 tors. eta vs tors. theta energy: -151.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1783.459139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.459139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.459139 (E_RNA) where: Base-Base interactions energy: -1234.131 where: short stacking energy: -495.108 Base-Backbone interact. energy: 0.164 local terms energy: -549.491879 where: bonds (distance) C4'-P energy: -99.081 bonds (distance) P-C4' energy: -105.771 flat angles C4'-P-C4' energy: -111.326 flat angles P-C4'-P energy: -72.966 tors. eta vs tors. theta energy: -160.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1674.278680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.278680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.278680 (E_RNA) where: Base-Base interactions energy: -1178.915 where: short stacking energy: -464.686 Base-Backbone interact. energy: 1.534 local terms energy: -496.898514 where: bonds (distance) C4'-P energy: -77.331 bonds (distance) P-C4' energy: -94.971 flat angles C4'-P-C4' energy: -108.499 flat angles P-C4'-P energy: -72.235 tors. eta vs tors. theta energy: -143.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -1715.572168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.572168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.572168 (E_RNA) where: Base-Base interactions energy: -1206.279 where: short stacking energy: -501.882 Base-Backbone interact. energy: -1.097 local terms energy: -508.196131 where: bonds (distance) C4'-P energy: -80.359 bonds (distance) P-C4' energy: -83.194 flat angles C4'-P-C4' energy: -111.611 flat angles P-C4'-P energy: -74.294 tors. eta vs tors. theta energy: -158.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -1451.528105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.528105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.528105 (E_RNA) where: Base-Base interactions energy: -1046.152 where: short stacking energy: -417.570 Base-Backbone interact. energy: 1.725 local terms energy: -407.101405 where: bonds (distance) C4'-P energy: -80.257 bonds (distance) P-C4' energy: -71.970 flat angles C4'-P-C4' energy: -91.067 flat angles P-C4'-P energy: -57.309 tors. eta vs tors. theta energy: -106.499 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: 10 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1312.891258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.891258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.891258 (E_RNA) where: Base-Base interactions energy: -877.820 where: short stacking energy: -384.459 Base-Backbone interact. energy: -0.421 local terms energy: -434.649857 where: bonds (distance) C4'-P energy: -80.666 bonds (distance) P-C4' energy: -92.421 flat angles C4'-P-C4' energy: -97.752 flat angles P-C4'-P energy: -63.774 tors. eta vs tors. theta energy: -100.036 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: 252 Temperature: 1.200000 Total energy: -1322.522770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.522770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.522770 (E_RNA) where: Base-Base interactions energy: -906.763 where: short stacking energy: -370.883 Base-Backbone interact. energy: 3.804 local terms energy: -419.563962 where: bonds (distance) C4'-P energy: -81.153 bonds (distance) P-C4' energy: -82.740 flat angles C4'-P-C4' energy: -89.940 flat angles P-C4'-P energy: -72.314 tors. eta vs tors. theta energy: -93.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1199.632853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.632853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.632853 (E_RNA) where: Base-Base interactions energy: -805.136 where: short stacking energy: -345.919 Base-Backbone interact. energy: -0.388 local terms energy: -394.108370 where: bonds (distance) C4'-P energy: -76.298 bonds (distance) P-C4' energy: -80.235 flat angles C4'-P-C4' energy: -89.566 flat angles P-C4'-P energy: -54.861 tors. eta vs tors. theta energy: -93.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -1056.387123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.387123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.387123 (E_RNA) where: Base-Base interactions energy: -689.002 where: short stacking energy: -274.144 Base-Backbone interact. energy: 6.287 local terms energy: -373.672271 where: bonds (distance) C4'-P energy: -82.903 bonds (distance) P-C4' energy: -74.443 flat angles C4'-P-C4' energy: -82.815 flat angles P-C4'-P energy: -65.689 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: 10, replica: 7 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -599.901370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.901370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.901370 (E_RNA) where: Base-Base interactions energy: -317.106 where: short stacking energy: -158.597 Base-Backbone interact. energy: -0.395 local terms energy: -282.400379 where: bonds (distance) C4'-P energy: -73.561 bonds (distance) P-C4' energy: -85.893 flat angles C4'-P-C4' energy: -67.449 flat angles P-C4'-P energy: -44.785 tors. eta vs tors. theta energy: -10.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1821.414756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.414756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.414756 (E_RNA) where: Base-Base interactions energy: -1277.656 where: short stacking energy: -504.157 Base-Backbone interact. energy: -4.106 local terms energy: -539.653480 where: bonds (distance) C4'-P energy: -94.480 bonds (distance) P-C4' energy: -96.470 flat angles C4'-P-C4' energy: -110.585 flat angles P-C4'-P energy: -81.394 tors. eta vs tors. theta energy: -156.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -1757.274109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.274109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.274109 (E_RNA) where: Base-Base interactions energy: -1225.323 where: short stacking energy: -497.011 Base-Backbone interact. energy: -1.473 local terms energy: -530.478204 where: bonds (distance) C4'-P energy: -102.310 bonds (distance) P-C4' energy: -82.864 flat angles C4'-P-C4' energy: -116.472 flat angles P-C4'-P energy: -65.898 tors. eta vs tors. theta energy: -162.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -1707.633825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.633825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.633825 (E_RNA) where: Base-Base interactions energy: -1200.663 where: short stacking energy: -490.051 Base-Backbone interact. energy: 1.146 local terms energy: -508.116770 where: bonds (distance) C4'-P energy: -87.891 bonds (distance) P-C4' energy: -86.819 flat angles C4'-P-C4' energy: -107.231 flat angles P-C4'-P energy: -82.801 tors. eta vs tors. theta energy: -143.375 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: 253 Temperature: 1.050000 Total energy: -1729.430273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.430273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.430273 (E_RNA) where: Base-Base interactions energy: -1221.598 where: short stacking energy: -493.883 Base-Backbone interact. energy: -0.320 local terms energy: -507.511513 where: bonds (distance) C4'-P energy: -89.597 bonds (distance) P-C4' energy: -82.906 flat angles C4'-P-C4' energy: -102.377 flat angles P-C4'-P energy: -77.990 tors. eta vs tors. theta energy: -154.641 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: 5, replica: 4 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -1448.780080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.780080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.780080 (E_RNA) where: Base-Base interactions energy: -988.601 where: short stacking energy: -416.072 Base-Backbone interact. energy: -1.069 local terms energy: -459.110524 where: bonds (distance) C4'-P energy: -91.329 bonds (distance) P-C4' energy: -96.379 flat angles C4'-P-C4' energy: -93.888 flat angles P-C4'-P energy: -61.668 tors. eta vs tors. theta energy: -115.846 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: 10 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1327.081905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.081905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.081905 (E_RNA) where: Base-Base interactions energy: -887.971 where: short stacking energy: -377.770 Base-Backbone interact. energy: 2.371 local terms energy: -441.481808 where: bonds (distance) C4'-P energy: -78.190 bonds (distance) P-C4' energy: -85.554 flat angles C4'-P-C4' energy: -99.286 flat angles P-C4'-P energy: -72.212 tors. eta vs tors. theta energy: -106.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1269.621398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.621398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.621398 (E_RNA) where: Base-Base interactions energy: -856.403 where: short stacking energy: -371.476 Base-Backbone interact. energy: -1.389 local terms energy: -411.829747 where: bonds (distance) C4'-P energy: -82.660 bonds (distance) P-C4' energy: -79.588 flat angles C4'-P-C4' energy: -92.159 flat angles P-C4'-P energy: -61.506 tors. eta vs tors. theta energy: -95.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1234.381590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.381590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.381590 (E_RNA) where: Base-Base interactions energy: -810.762 where: short stacking energy: -342.993 Base-Backbone interact. energy: -1.259 local terms energy: -422.360418 where: bonds (distance) C4'-P energy: -80.549 bonds (distance) P-C4' energy: -79.307 flat angles C4'-P-C4' energy: -106.253 flat angles P-C4'-P energy: -63.216 tors. eta vs tors. theta energy: -93.036 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: 2 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -1046.521317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.521317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.521317 (E_RNA) where: Base-Base interactions energy: -679.250 where: short stacking energy: -282.806 Base-Backbone interact. energy: 0.906 local terms energy: -368.178161 where: bonds (distance) C4'-P energy: -67.201 bonds (distance) P-C4' energy: -95.607 flat angles C4'-P-C4' energy: -96.173 flat angles P-C4'-P energy: -53.257 tors. eta vs tors. theta energy: -55.940 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: 10, replica: 7 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -640.070708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.070708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.070708 (E_RNA) where: Base-Base interactions energy: -353.762 where: short stacking energy: -191.159 Base-Backbone interact. energy: 0.698 local terms energy: -287.007201 where: bonds (distance) C4'-P energy: -80.812 bonds (distance) P-C4' energy: -79.789 flat angles C4'-P-C4' energy: -79.557 flat angles P-C4'-P energy: -35.272 tors. eta vs tors. theta energy: -11.576 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: 1, replica: 1 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1834.853873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.853873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.853873 (E_RNA) where: Base-Base interactions energy: -1295.433 where: short stacking energy: -514.503 Base-Backbone interact. energy: -3.261 local terms energy: -536.160366 where: bonds (distance) C4'-P energy: -92.733 bonds (distance) P-C4' energy: -104.846 flat angles C4'-P-C4' energy: -110.642 flat angles P-C4'-P energy: -72.934 tors. eta vs tors. theta energy: -155.005 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: 254 Temperature: 0.950000 Total energy: -1764.957926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.957926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.957926 (E_RNA) where: Base-Base interactions energy: -1247.299 where: short stacking energy: -497.244 Base-Backbone interact. energy: -0.916 local terms energy: -516.742834 where: bonds (distance) C4'-P energy: -89.007 bonds (distance) P-C4' energy: -89.364 flat angles C4'-P-C4' energy: -111.788 flat angles P-C4'-P energy: -71.548 tors. eta vs tors. theta energy: -155.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1783.913294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.913294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.913294 (E_RNA) where: Base-Base interactions energy: -1238.268 where: short stacking energy: -509.935 Base-Backbone interact. energy: -1.114 local terms energy: -544.531396 where: bonds (distance) C4'-P energy: -88.923 bonds (distance) P-C4' energy: -92.625 flat angles C4'-P-C4' energy: -114.317 flat angles P-C4'-P energy: -81.439 tors. eta vs tors. theta energy: -167.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1661.684505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.684505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.684505 (E_RNA) where: Base-Base interactions energy: -1169.920 where: short stacking energy: -459.394 Base-Backbone interact. energy: 0.622 local terms energy: -492.386575 where: bonds (distance) C4'-P energy: -90.400 bonds (distance) P-C4' energy: -78.146 flat angles C4'-P-C4' energy: -104.379 flat angles P-C4'-P energy: -75.889 tors. eta vs tors. theta energy: -143.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1452.054556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.054556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.054556 (E_RNA) where: Base-Base interactions energy: -987.998 where: short stacking energy: -413.257 Base-Backbone interact. energy: -0.098 local terms energy: -463.958328 where: bonds (distance) C4'-P energy: -87.122 bonds (distance) P-C4' energy: -90.286 flat angles C4'-P-C4' energy: -97.218 flat angles P-C4'-P energy: -67.979 tors. eta vs tors. theta energy: -121.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1346.336712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.336712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.336712 (E_RNA) where: Base-Base interactions energy: -899.685 where: short stacking energy: -400.648 Base-Backbone interact. energy: 0.154 local terms energy: -446.805391 where: bonds (distance) C4'-P energy: -81.324 bonds (distance) P-C4' energy: -79.641 flat angles C4'-P-C4' energy: -95.861 flat angles P-C4'-P energy: -69.675 tors. eta vs tors. theta energy: -120.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1280.125626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.125626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.125626 (E_RNA) where: Base-Base interactions energy: -865.868 where: short stacking energy: -357.183 Base-Backbone interact. energy: -1.235 local terms energy: -413.022663 where: bonds (distance) C4'-P energy: -78.209 bonds (distance) P-C4' energy: -94.616 flat angles C4'-P-C4' energy: -96.274 flat angles P-C4'-P energy: -66.995 tors. eta vs tors. theta energy: -76.928 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: 6 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1197.011968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.011968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.011968 (E_RNA) where: Base-Base interactions energy: -807.073 where: short stacking energy: -319.661 Base-Backbone interact. energy: 0.252 local terms energy: -390.191431 where: bonds (distance) C4'-P energy: -76.831 bonds (distance) P-C4' energy: -81.279 flat angles C4'-P-C4' energy: -98.289 flat angles P-C4'-P energy: -55.503 tors. eta vs tors. theta energy: -78.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -1061.507563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.507563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.507563 (E_RNA) where: Base-Base interactions energy: -695.108 where: short stacking energy: -292.850 Base-Backbone interact. energy: -0.273 local terms energy: -366.127487 where: bonds (distance) C4'-P energy: -73.079 bonds (distance) P-C4' energy: -83.021 flat angles C4'-P-C4' energy: -80.750 flat angles P-C4'-P energy: -52.649 tors. eta vs tors. theta energy: -76.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -619.403166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.403166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.403166 (E_RNA) where: Base-Base interactions energy: -325.634 where: short stacking energy: -170.004 Base-Backbone interact. energy: 6.174 local terms energy: -299.942282 where: bonds (distance) C4'-P energy: -83.510 bonds (distance) P-C4' energy: -84.794 flat angles C4'-P-C4' energy: -75.429 flat angles P-C4'-P energy: -38.861 tors. eta vs tors. theta energy: -17.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1841.049776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.049776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.049776 (E_RNA) where: Base-Base interactions energy: -1299.127 where: short stacking energy: -500.750 Base-Backbone interact. energy: -4.084 local terms energy: -537.839117 where: bonds (distance) C4'-P energy: -90.939 bonds (distance) P-C4' energy: -92.325 flat angles C4'-P-C4' energy: -112.765 flat angles P-C4'-P energy: -82.856 tors. eta vs tors. theta energy: -158.954 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: 5 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1775.816011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.816011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.816011 (E_RNA) where: Base-Base interactions energy: -1242.413 where: short stacking energy: -495.952 Base-Backbone interact. energy: -0.407 local terms energy: -532.996294 where: bonds (distance) C4'-P energy: -101.507 bonds (distance) P-C4' energy: -89.249 flat angles C4'-P-C4' energy: -112.051 flat angles P-C4'-P energy: -76.256 tors. eta vs tors. theta energy: -153.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1757.683444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.683444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.683444 (E_RNA) where: Base-Base interactions energy: -1221.510 where: short stacking energy: -505.736 Base-Backbone interact. energy: -1.148 local terms energy: -535.025850 where: bonds (distance) C4'-P energy: -90.753 bonds (distance) P-C4' energy: -90.717 flat angles C4'-P-C4' energy: -109.943 flat angles P-C4'-P energy: -86.502 tors. eta vs tors. theta energy: -157.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1680.334630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.334630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.334630 (E_RNA) where: Base-Base interactions energy: -1173.199 where: short stacking energy: -480.309 Base-Backbone interact. energy: -2.297 local terms energy: -504.837913 where: bonds (distance) C4'-P energy: -78.095 bonds (distance) P-C4' energy: -88.823 flat angles C4'-P-C4' energy: -114.625 flat angles P-C4'-P energy: -64.878 tors. eta vs tors. theta energy: -158.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -1479.094991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.094991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.094991 (E_RNA) where: Base-Base interactions energy: -1032.221 where: short stacking energy: -413.644 Base-Backbone interact. energy: -0.265 local terms energy: -446.608673 where: bonds (distance) C4'-P energy: -74.899 bonds (distance) P-C4' energy: -96.339 flat angles C4'-P-C4' energy: -90.602 flat angles P-C4'-P energy: -65.952 tors. eta vs tors. theta energy: -118.817 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: 10 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1334.313665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.313665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.313665 (E_RNA) where: Base-Base interactions energy: -905.425 where: short stacking energy: -382.888 Base-Backbone interact. energy: 0.197 local terms energy: -429.085729 where: bonds (distance) C4'-P energy: -76.366 bonds (distance) P-C4' energy: -93.447 flat angles C4'-P-C4' energy: -95.121 flat angles P-C4'-P energy: -56.538 tors. eta vs tors. theta energy: -107.613 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: 8 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1300.008508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.008508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.008508 (E_RNA) where: Base-Base interactions energy: -887.757 where: short stacking energy: -369.898 Base-Backbone interact. energy: 0.186 local terms energy: -412.437515 where: bonds (distance) C4'-P energy: -78.588 bonds (distance) P-C4' energy: -81.959 flat angles C4'-P-C4' energy: -84.504 flat angles P-C4'-P energy: -62.829 tors. eta vs tors. theta energy: -104.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1186.513303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.513303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.513303 (E_RNA) where: Base-Base interactions energy: -793.034 where: short stacking energy: -323.250 Base-Backbone interact. energy: 6.082 local terms energy: -399.561315 where: bonds (distance) C4'-P energy: -75.812 bonds (distance) P-C4' energy: -84.772 flat angles C4'-P-C4' energy: -93.257 flat angles P-C4'-P energy: -70.087 tors. eta vs tors. theta energy: -75.635 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: 2 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -1069.220891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.220891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.220891 (E_RNA) where: Base-Base interactions energy: -720.170 where: short stacking energy: -287.237 Base-Backbone interact. energy: 0.227 local terms energy: -349.277572 where: bonds (distance) C4'-P energy: -79.913 bonds (distance) P-C4' energy: -83.209 flat angles C4'-P-C4' energy: -77.746 flat angles P-C4'-P energy: -37.596 tors. eta vs tors. theta energy: -70.813 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: 7 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -558.289447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.289447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.289447 (E_RNA) where: Base-Base interactions energy: -291.130 where: short stacking energy: -139.936 Base-Backbone interact. energy: 2.915 local terms energy: -270.073909 where: bonds (distance) C4'-P energy: -79.265 bonds (distance) P-C4' energy: -84.931 flat angles C4'-P-C4' energy: -58.938 flat angles P-C4'-P energy: -43.875 tors. eta vs tors. theta energy: -3.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1850.466262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.466262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.466262 (E_RNA) where: Base-Base interactions energy: -1303.556 where: short stacking energy: -523.179 Base-Backbone interact. energy: -2.110 local terms energy: -544.800259 where: bonds (distance) C4'-P energy: -96.601 bonds (distance) P-C4' energy: -94.343 flat angles C4'-P-C4' energy: -102.381 flat angles P-C4'-P energy: -85.228 tors. eta vs tors. theta energy: -166.247 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: 5 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1747.202451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.202451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.202451 (E_RNA) where: Base-Base interactions energy: -1207.134 where: short stacking energy: -494.405 Base-Backbone interact. energy: -1.426 local terms energy: -538.642148 where: bonds (distance) C4'-P energy: -95.842 bonds (distance) P-C4' energy: -95.483 flat angles C4'-P-C4' energy: -111.244 flat angles P-C4'-P energy: -80.696 tors. eta vs tors. theta energy: -155.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1758.888546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.888546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.888546 (E_RNA) where: Base-Base interactions energy: -1243.846 where: short stacking energy: -523.739 Base-Backbone interact. energy: -1.454 local terms energy: -513.588432 where: bonds (distance) C4'-P energy: -79.861 bonds (distance) P-C4' energy: -93.469 flat angles C4'-P-C4' energy: -108.613 flat angles P-C4'-P energy: -72.309 tors. eta vs tors. theta energy: -159.336 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: 256 Temperature: 1.050000 Total energy: -1674.906438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.906438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.906438 (E_RNA) where: Base-Base interactions energy: -1180.782 where: short stacking energy: -461.294 Base-Backbone interact. energy: -1.569 local terms energy: -492.555987 where: bonds (distance) C4'-P energy: -80.994 bonds (distance) P-C4' energy: -82.699 flat angles C4'-P-C4' energy: -106.169 flat angles P-C4'-P energy: -76.793 tors. eta vs tors. theta energy: -145.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -1487.382609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.382609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.382609 (E_RNA) where: Base-Base interactions energy: -1037.510 where: short stacking energy: -435.729 Base-Backbone interact. energy: 1.104 local terms energy: -450.976955 where: bonds (distance) C4'-P energy: -77.333 bonds (distance) P-C4' energy: -88.182 flat angles C4'-P-C4' energy: -97.458 flat angles P-C4'-P energy: -69.435 tors. eta vs tors. theta energy: -118.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1389.301743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.301743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.301743 (E_RNA) where: Base-Base interactions energy: -937.830 where: short stacking energy: -396.395 Base-Backbone interact. energy: -0.648 local terms energy: -450.823077 where: bonds (distance) C4'-P energy: -86.531 bonds (distance) P-C4' energy: -95.841 flat angles C4'-P-C4' energy: -94.675 flat angles P-C4'-P energy: -60.953 tors. eta vs tors. theta energy: -112.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1333.211287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.211287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.211287 (E_RNA) where: Base-Base interactions energy: -930.183 where: short stacking energy: -384.953 Base-Backbone interact. energy: -0.598 local terms energy: -402.429868 where: bonds (distance) C4'-P energy: -83.565 bonds (distance) P-C4' energy: -86.701 flat angles C4'-P-C4' energy: -77.767 flat angles P-C4'-P energy: -52.738 tors. eta vs tors. theta energy: -101.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1177.000756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.000756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.000756 (E_RNA) where: Base-Base interactions energy: -791.398 where: short stacking energy: -315.523 Base-Backbone interact. energy: 0.857 local terms energy: -386.459156 where: bonds (distance) C4'-P energy: -64.893 bonds (distance) P-C4' energy: -97.603 flat angles C4'-P-C4' energy: -92.308 flat angles P-C4'-P energy: -54.839 tors. eta vs tors. theta energy: -76.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -1082.232483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.232483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.232483 (E_RNA) where: Base-Base interactions energy: -687.040 where: short stacking energy: -287.623 Base-Backbone interact. energy: -1.340 local terms energy: -393.852987 where: bonds (distance) C4'-P energy: -89.724 bonds (distance) P-C4' energy: -91.616 flat angles C4'-P-C4' energy: -93.420 flat angles P-C4'-P energy: -37.934 tors. eta vs tors. theta energy: -81.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -547.657200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.657200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.657200 (E_RNA) where: Base-Base interactions energy: -271.537 where: short stacking energy: -151.812 Base-Backbone interact. energy: -1.469 local terms energy: -274.651741 where: bonds (distance) C4'-P energy: -75.759 bonds (distance) P-C4' energy: -87.624 flat angles C4'-P-C4' energy: -71.477 flat angles P-C4'-P energy: -34.252 tors. eta vs tors. theta energy: -5.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1806.635120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.635120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.635120 (E_RNA) where: Base-Base interactions energy: -1271.156 where: short stacking energy: -507.854 Base-Backbone interact. energy: -1.401 local terms energy: -534.078157 where: bonds (distance) C4'-P energy: -92.632 bonds (distance) P-C4' energy: -96.464 flat angles C4'-P-C4' energy: -110.264 flat angles P-C4'-P energy: -77.260 tors. eta vs tors. theta energy: -157.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1778.525976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.525976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.525976 (E_RNA) where: Base-Base interactions energy: -1236.328 where: short stacking energy: -503.473 Base-Backbone interact. energy: -1.896 local terms energy: -540.301699 where: bonds (distance) C4'-P energy: -94.493 bonds (distance) P-C4' energy: -101.280 flat angles C4'-P-C4' energy: -111.130 flat angles P-C4'-P energy: -72.410 tors. eta vs tors. theta energy: -160.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1731.720549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.720549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.720549 (E_RNA) where: Base-Base interactions energy: -1238.054 where: short stacking energy: -502.119 Base-Backbone interact. energy: -1.592 local terms energy: -492.074780 where: bonds (distance) C4'-P energy: -83.557 bonds (distance) P-C4' energy: -84.458 flat angles C4'-P-C4' energy: -107.661 flat angles P-C4'-P energy: -64.414 tors. eta vs tors. theta energy: -151.985 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: 9 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1682.775412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.775412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.775412 (E_RNA) where: Base-Base interactions energy: -1182.311 where: short stacking energy: -496.028 Base-Backbone interact. energy: 0.179 local terms energy: -500.642764 where: bonds (distance) C4'-P energy: -93.399 bonds (distance) P-C4' energy: -86.168 flat angles C4'-P-C4' energy: -107.087 flat angles P-C4'-P energy: -64.012 tors. eta vs tors. theta energy: -149.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -1472.091931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.091931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.091931 (E_RNA) where: Base-Base interactions energy: -1013.359 where: short stacking energy: -408.539 Base-Backbone interact. energy: 0.915 local terms energy: -459.648077 where: bonds (distance) C4'-P energy: -73.291 bonds (distance) P-C4' energy: -90.133 flat angles C4'-P-C4' energy: -103.334 flat angles P-C4'-P energy: -71.191 tors. eta vs tors. theta energy: -121.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1366.824269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.824269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.824269 (E_RNA) where: Base-Base interactions energy: -935.951 where: short stacking energy: -395.192 Base-Backbone interact. energy: -1.622 local terms energy: -429.250831 where: bonds (distance) C4'-P energy: -78.641 bonds (distance) P-C4' energy: -78.503 flat angles C4'-P-C4' energy: -91.199 flat angles P-C4'-P energy: -62.535 tors. eta vs tors. theta energy: -118.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1321.884808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.884808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.884808 (E_RNA) where: Base-Base interactions energy: -918.540 where: short stacking energy: -379.903 Base-Backbone interact. energy: -0.694 local terms energy: -402.650863 where: bonds (distance) C4'-P energy: -82.930 bonds (distance) P-C4' energy: -78.799 flat angles C4'-P-C4' energy: -70.838 flat angles P-C4'-P energy: -63.481 tors. eta vs tors. theta energy: -106.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1232.738560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.738560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.738560 (E_RNA) where: Base-Base interactions energy: -865.405 where: short stacking energy: -337.914 Base-Backbone interact. energy: -1.072 local terms energy: -366.260850 where: bonds (distance) C4'-P energy: -73.009 bonds (distance) P-C4' energy: -89.532 flat angles C4'-P-C4' energy: -77.508 flat angles P-C4'-P energy: -40.745 tors. eta vs tors. theta energy: -85.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -1122.327564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.327564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.327564 (E_RNA) where: Base-Base interactions energy: -749.251 where: short stacking energy: -320.784 Base-Backbone interact. energy: 2.625 local terms energy: -375.701009 where: bonds (distance) C4'-P energy: -87.633 bonds (distance) P-C4' energy: -87.054 flat angles C4'-P-C4' energy: -74.411 flat angles P-C4'-P energy: -48.997 tors. eta vs tors. theta energy: -77.607 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: 10, replica: 7 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -560.907649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.907649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.907649 (E_RNA) where: Base-Base interactions energy: -302.869 where: short stacking energy: -161.299 Base-Backbone interact. energy: 5.406 local terms energy: -263.443719 where: bonds (distance) C4'-P energy: -76.253 bonds (distance) P-C4' energy: -78.595 flat angles C4'-P-C4' energy: -73.008 flat angles P-C4'-P energy: -34.021 tors. eta vs tors. theta energy: -1.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1807.827088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.827088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.827088 (E_RNA) where: Base-Base interactions energy: -1260.215 where: short stacking energy: -525.663 Base-Backbone interact. energy: 1.475 local terms energy: -549.087631 where: bonds (distance) C4'-P energy: -98.856 bonds (distance) P-C4' energy: -99.239 flat angles C4'-P-C4' energy: -104.144 flat angles P-C4'-P energy: -82.514 tors. eta vs tors. theta energy: -164.335 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: 1 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1809.606006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.606006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.606006 (E_RNA) where: Base-Base interactions energy: -1272.093 where: short stacking energy: -482.936 Base-Backbone interact. energy: -1.470 local terms energy: -536.042937 where: bonds (distance) C4'-P energy: -95.279 bonds (distance) P-C4' energy: -107.926 flat angles C4'-P-C4' energy: -108.103 flat angles P-C4'-P energy: -70.748 tors. eta vs tors. theta energy: -153.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1733.157502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.157502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.157502 (E_RNA) where: Base-Base interactions energy: -1204.165 where: short stacking energy: -484.023 Base-Backbone interact. energy: 0.120 local terms energy: -529.112205 where: bonds (distance) C4'-P energy: -105.428 bonds (distance) P-C4' energy: -88.908 flat angles C4'-P-C4' energy: -109.315 flat angles P-C4'-P energy: -78.403 tors. eta vs tors. theta energy: -147.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1689.707041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.707041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.707041 (E_RNA) where: Base-Base interactions energy: -1195.822 where: short stacking energy: -493.594 Base-Backbone interact. energy: -1.112 local terms energy: -492.772869 where: bonds (distance) C4'-P energy: -78.185 bonds (distance) P-C4' energy: -90.349 flat angles C4'-P-C4' energy: -99.470 flat angles P-C4'-P energy: -70.487 tors. eta vs tors. theta energy: -154.283 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: 4 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1474.582032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.582032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.582032 (E_RNA) where: Base-Base interactions energy: -995.760 where: short stacking energy: -402.188 Base-Backbone interact. energy: -1.072 local terms energy: -477.750269 where: bonds (distance) C4'-P energy: -98.510 bonds (distance) P-C4' energy: -85.711 flat angles C4'-P-C4' energy: -96.923 flat angles P-C4'-P energy: -74.732 tors. eta vs tors. theta energy: -121.874 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: 6, replica: 8 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1392.923369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.923369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.923369 (E_RNA) where: Base-Base interactions energy: -970.522 where: short stacking energy: -399.532 Base-Backbone interact. energy: -2.133 local terms energy: -420.267997 where: bonds (distance) C4'-P energy: -63.956 bonds (distance) P-C4' energy: -79.904 flat angles C4'-P-C4' energy: -97.701 flat angles P-C4'-P energy: -64.108 tors. eta vs tors. theta energy: -114.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1318.721185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.721185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.721185 (E_RNA) where: Base-Base interactions energy: -882.661 where: short stacking energy: -385.815 Base-Backbone interact. energy: 1.608 local terms energy: -437.667635 where: bonds (distance) C4'-P energy: -89.893 bonds (distance) P-C4' energy: -84.946 flat angles C4'-P-C4' energy: -96.473 flat angles P-C4'-P energy: -65.617 tors. eta vs tors. theta energy: -100.740 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: 6 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1245.303620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.303620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.303620 (E_RNA) where: Base-Base interactions energy: -856.309 where: short stacking energy: -346.744 Base-Backbone interact. energy: -2.695 local terms energy: -386.299211 where: bonds (distance) C4'-P energy: -86.426 bonds (distance) P-C4' energy: -76.051 flat angles C4'-P-C4' energy: -83.565 flat angles P-C4'-P energy: -47.493 tors. eta vs tors. theta energy: -92.764 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: 2 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -1163.470095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.470095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.470095 (E_RNA) where: Base-Base interactions energy: -787.915 where: short stacking energy: -337.271 Base-Backbone interact. energy: -0.143 local terms energy: -375.412485 where: bonds (distance) C4'-P energy: -80.186 bonds (distance) P-C4' energy: -84.596 flat angles C4'-P-C4' energy: -85.452 flat angles P-C4'-P energy: -44.249 tors. eta vs tors. theta energy: -80.929 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: 7 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -559.184160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.184160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.184160 (E_RNA) where: Base-Base interactions energy: -296.270 where: short stacking energy: -161.751 Base-Backbone interact. energy: -0.587 local terms energy: -262.327543 where: bonds (distance) C4'-P energy: -61.956 bonds (distance) P-C4' energy: -75.552 flat angles C4'-P-C4' energy: -72.076 flat angles P-C4'-P energy: -42.494 tors. eta vs tors. theta energy: -10.250 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: 1, replica: 3 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1815.105229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.105229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.105229 (E_RNA) where: Base-Base interactions energy: -1272.983 where: short stacking energy: -527.306 Base-Backbone interact. energy: -1.935 local terms energy: -540.187468 where: bonds (distance) C4'-P energy: -92.702 bonds (distance) P-C4' energy: -85.990 flat angles C4'-P-C4' energy: -119.959 flat angles P-C4'-P energy: -81.490 tors. eta vs tors. theta energy: -160.046 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: 1 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1815.914945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.914945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.914945 (E_RNA) where: Base-Base interactions energy: -1299.949 where: short stacking energy: -518.198 Base-Backbone interact. energy: -1.761 local terms energy: -514.204648 where: bonds (distance) C4'-P energy: -86.718 bonds (distance) P-C4' energy: -91.185 flat angles C4'-P-C4' energy: -105.964 flat angles P-C4'-P energy: -76.971 tors. eta vs tors. theta energy: -153.367 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: 9 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1718.883573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.883573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.883573 (E_RNA) where: Base-Base interactions energy: -1209.399 where: short stacking energy: -495.185 Base-Backbone interact. energy: -2.472 local terms energy: -507.012843 where: bonds (distance) C4'-P energy: -76.858 bonds (distance) P-C4' energy: -85.827 flat angles C4'-P-C4' energy: -105.969 flat angles P-C4'-P energy: -80.107 tors. eta vs tors. theta energy: -158.251 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: 4, replica: 5 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1711.998264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.998264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.998264 (E_RNA) where: Base-Base interactions energy: -1206.728 where: short stacking energy: -474.599 Base-Backbone interact. energy: 4.495 local terms energy: -509.764651 where: bonds (distance) C4'-P energy: -91.624 bonds (distance) P-C4' energy: -87.286 flat angles C4'-P-C4' energy: -112.395 flat angles P-C4'-P energy: -66.171 tors. eta vs tors. theta energy: -152.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1492.368485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.368485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.368485 (E_RNA) where: Base-Base interactions energy: -1047.112 where: short stacking energy: -430.628 Base-Backbone interact. energy: -2.058 local terms energy: -443.198607 where: bonds (distance) C4'-P energy: -88.651 bonds (distance) P-C4' energy: -70.469 flat angles C4'-P-C4' energy: -104.875 flat angles P-C4'-P energy: -50.001 tors. eta vs tors. theta energy: -129.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1378.552782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.552782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.552782 (E_RNA) where: Base-Base interactions energy: -938.635 where: short stacking energy: -377.512 Base-Backbone interact. energy: -1.517 local terms energy: -438.400826 where: bonds (distance) C4'-P energy: -82.242 bonds (distance) P-C4' energy: -94.000 flat angles C4'-P-C4' energy: -101.717 flat angles P-C4'-P energy: -50.510 tors. eta vs tors. theta energy: -109.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1306.276215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.276215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.276215 (E_RNA) where: Base-Base interactions energy: -874.712 where: short stacking energy: -365.948 Base-Backbone interact. energy: -1.987 local terms energy: -429.576836 where: bonds (distance) C4'-P energy: -72.419 bonds (distance) P-C4' energy: -97.630 flat angles C4'-P-C4' energy: -87.327 flat angles P-C4'-P energy: -52.976 tors. eta vs tors. theta energy: -119.226 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: 259 Temperature: 1.250000 Total energy: -1216.295213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.295213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.295213 (E_RNA) where: Base-Base interactions energy: -831.050 where: short stacking energy: -350.310 Base-Backbone interact. energy: 1.300 local terms energy: -386.545239 where: bonds (distance) C4'-P energy: -62.695 bonds (distance) P-C4' energy: -72.280 flat angles C4'-P-C4' energy: -96.291 flat angles P-C4'-P energy: -56.505 tors. eta vs tors. theta energy: -98.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -1163.099378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.099378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.099378 (E_RNA) where: Base-Base interactions energy: -805.084 where: short stacking energy: -330.735 Base-Backbone interact. energy: 3.531 local terms energy: -361.545993 where: bonds (distance) C4'-P energy: -81.273 bonds (distance) P-C4' energy: -63.829 flat angles C4'-P-C4' energy: -79.324 flat angles P-C4'-P energy: -52.785 tors. eta vs tors. theta energy: -84.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -575.125199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.125199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.125199 (E_RNA) where: Base-Base interactions energy: -297.827 where: short stacking energy: -165.290 Base-Backbone interact. energy: -3.718 local terms energy: -273.580746 where: bonds (distance) C4'-P energy: -72.143 bonds (distance) P-C4' energy: -86.898 flat angles C4'-P-C4' energy: -69.403 flat angles P-C4'-P energy: -28.527 tors. eta vs tors. theta energy: -16.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1827.097603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.097603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.097603 (E_RNA) where: Base-Base interactions energy: -1272.004 where: short stacking energy: -525.915 Base-Backbone interact. energy: -0.853 local terms energy: -554.240286 where: bonds (distance) C4'-P energy: -96.505 bonds (distance) P-C4' energy: -102.007 flat angles C4'-P-C4' energy: -119.120 flat angles P-C4'-P energy: -70.451 tors. eta vs tors. theta energy: -166.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1791.245594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.245594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.245594 (E_RNA) where: Base-Base interactions energy: -1275.768 where: short stacking energy: -495.429 Base-Backbone interact. energy: -3.296 local terms energy: -512.181873 where: bonds (distance) C4'-P energy: -93.710 bonds (distance) P-C4' energy: -96.984 flat angles C4'-P-C4' energy: -106.823 flat angles P-C4'-P energy: -61.507 tors. eta vs tors. theta energy: -153.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1736.056488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.056488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.056488 (E_RNA) where: Base-Base interactions energy: -1201.068 where: short stacking energy: -497.345 Base-Backbone interact. energy: -0.957 local terms energy: -534.030724 where: bonds (distance) C4'-P energy: -89.353 bonds (distance) P-C4' energy: -103.524 flat angles C4'-P-C4' energy: -111.070 flat angles P-C4'-P energy: -74.554 tors. eta vs tors. theta energy: -155.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -1692.192732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.192732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.192732 (E_RNA) where: Base-Base interactions energy: -1188.429 where: short stacking energy: -488.287 Base-Backbone interact. energy: -1.538 local terms energy: -502.226535 where: bonds (distance) C4'-P energy: -92.465 bonds (distance) P-C4' energy: -90.486 flat angles C4'-P-C4' energy: -108.745 flat angles P-C4'-P energy: -67.882 tors. eta vs tors. theta energy: -142.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -1484.707741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.707741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.707741 (E_RNA) where: Base-Base interactions energy: -1023.236 where: short stacking energy: -424.958 Base-Backbone interact. energy: -0.173 local terms energy: -461.298719 where: bonds (distance) C4'-P energy: -83.465 bonds (distance) P-C4' energy: -95.007 flat angles C4'-P-C4' energy: -100.067 flat angles P-C4'-P energy: -66.215 tors. eta vs tors. theta energy: -116.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1436.442399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.442399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.442399 (E_RNA) where: Base-Base interactions energy: -990.025 where: short stacking energy: -407.560 Base-Backbone interact. energy: 3.809 local terms energy: -450.225884 where: bonds (distance) C4'-P energy: -86.491 bonds (distance) P-C4' energy: -81.784 flat angles C4'-P-C4' energy: -95.482 flat angles P-C4'-P energy: -60.246 tors. eta vs tors. theta energy: -126.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1354.665311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.665311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.665311 (E_RNA) where: Base-Base interactions energy: -922.844 where: short stacking energy: -397.610 Base-Backbone interact. energy: -0.967 local terms energy: -430.853970 where: bonds (distance) C4'-P energy: -69.645 bonds (distance) P-C4' energy: -81.825 flat angles C4'-P-C4' energy: -97.067 flat angles P-C4'-P energy: -67.306 tors. eta vs tors. theta energy: -115.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1164.127686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.127686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.127686 (E_RNA) where: Base-Base interactions energy: -799.451 where: short stacking energy: -317.415 Base-Backbone interact. energy: -2.019 local terms energy: -362.657432 where: bonds (distance) C4'-P energy: -68.363 bonds (distance) P-C4' energy: -72.656 flat angles C4'-P-C4' energy: -85.097 flat angles P-C4'-P energy: -59.236 tors. eta vs tors. theta energy: -77.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -1166.657684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.657684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.657684 (E_RNA) where: Base-Base interactions energy: -805.775 where: short stacking energy: -323.010 Base-Backbone interact. energy: 0.241 local terms energy: -361.123420 where: bonds (distance) C4'-P energy: -73.755 bonds (distance) P-C4' energy: -67.329 flat angles C4'-P-C4' energy: -80.725 flat angles P-C4'-P energy: -57.324 tors. eta vs tors. theta energy: -81.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -593.977328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.977328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.977328 (E_RNA) where: Base-Base interactions energy: -323.156 where: short stacking energy: -160.359 Base-Backbone interact. energy: -2.695 local terms energy: -268.126310 where: bonds (distance) C4'-P energy: -61.951 bonds (distance) P-C4' energy: -64.039 flat angles C4'-P-C4' energy: -77.519 flat angles P-C4'-P energy: -51.986 tors. eta vs tors. theta energy: -12.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1819.879848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.879848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.879848 (E_RNA) where: Base-Base interactions energy: -1279.933 where: short stacking energy: -538.601 Base-Backbone interact. energy: -2.518 local terms energy: -537.429316 where: bonds (distance) C4'-P energy: -95.602 bonds (distance) P-C4' energy: -84.676 flat angles C4'-P-C4' energy: -115.960 flat angles P-C4'-P energy: -74.071 tors. eta vs tors. theta energy: -167.120 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: 2, replica: 1 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1790.011431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.011431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.011431 (E_RNA) where: Base-Base interactions energy: -1268.491 where: short stacking energy: -487.116 Base-Backbone interact. energy: -2.842 local terms energy: -518.677757 where: bonds (distance) C4'-P energy: -98.847 bonds (distance) P-C4' energy: -101.599 flat angles C4'-P-C4' energy: -98.945 flat angles P-C4'-P energy: -67.150 tors. eta vs tors. theta energy: -152.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1748.473270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.473270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.473270 (E_RNA) where: Base-Base interactions energy: -1209.462 where: short stacking energy: -493.630 Base-Backbone interact. energy: -2.502 local terms energy: -536.508792 where: bonds (distance) C4'-P energy: -91.818 bonds (distance) P-C4' energy: -103.510 flat angles C4'-P-C4' energy: -114.540 flat angles P-C4'-P energy: -72.019 tors. eta vs tors. theta energy: -154.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1701.702235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.702235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.702235 (E_RNA) where: Base-Base interactions energy: -1195.049 where: short stacking energy: -477.639 Base-Backbone interact. energy: -1.160 local terms energy: -505.493198 where: bonds (distance) C4'-P energy: -82.329 bonds (distance) P-C4' energy: -89.328 flat angles C4'-P-C4' energy: -106.595 flat angles P-C4'-P energy: -74.019 tors. eta vs tors. theta energy: -153.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -1451.933502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.933502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.933502 (E_RNA) where: Base-Base interactions energy: -1018.611 where: short stacking energy: -432.490 Base-Backbone interact. energy: -0.530 local terms energy: -432.792670 where: bonds (distance) C4'-P energy: -88.076 bonds (distance) P-C4' energy: -69.640 flat angles C4'-P-C4' energy: -86.989 flat angles P-C4'-P energy: -68.078 tors. eta vs tors. theta energy: -120.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1413.646609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.646609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.646609 (E_RNA) where: Base-Base interactions energy: -962.515 where: short stacking energy: -405.114 Base-Backbone interact. energy: -4.997 local terms energy: -446.134185 where: bonds (distance) C4'-P energy: -86.053 bonds (distance) P-C4' energy: -88.225 flat angles C4'-P-C4' energy: -96.496 flat angles P-C4'-P energy: -55.725 tors. eta vs tors. theta energy: -119.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1322.818385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.818385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.818385 (E_RNA) where: Base-Base interactions energy: -890.441 where: short stacking energy: -374.861 Base-Backbone interact. energy: 1.603 local terms energy: -433.980290 where: bonds (distance) C4'-P energy: -77.842 bonds (distance) P-C4' energy: -82.229 flat angles C4'-P-C4' energy: -104.171 flat angles P-C4'-P energy: -54.997 tors. eta vs tors. theta energy: -114.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1187.868845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.868845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.868845 (E_RNA) where: Base-Base interactions energy: -800.072 where: short stacking energy: -336.617 Base-Backbone interact. energy: 2.008 local terms energy: -389.805313 where: bonds (distance) C4'-P energy: -74.758 bonds (distance) P-C4' energy: -77.492 flat angles C4'-P-C4' energy: -92.118 flat angles P-C4'-P energy: -61.194 tors. eta vs tors. theta energy: -84.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -1160.804351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.804351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.804351 (E_RNA) where: Base-Base interactions energy: -771.843 where: short stacking energy: -319.878 Base-Backbone interact. energy: 3.464 local terms energy: -392.424373 where: bonds (distance) C4'-P energy: -83.167 bonds (distance) P-C4' energy: -84.427 flat angles C4'-P-C4' energy: -76.273 flat angles P-C4'-P energy: -57.985 tors. eta vs tors. theta energy: -90.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -602.010626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.010626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.010626 (E_RNA) where: Base-Base interactions energy: -314.128 where: short stacking energy: -160.353 Base-Backbone interact. energy: 3.922 local terms energy: -291.804114 where: bonds (distance) C4'-P energy: -77.836 bonds (distance) P-C4' energy: -75.012 flat angles C4'-P-C4' energy: -75.618 flat angles P-C4'-P energy: -42.003 tors. eta vs tors. theta energy: -21.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1833.215849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.215849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.215849 (E_RNA) where: Base-Base interactions energy: -1274.397 where: short stacking energy: -528.142 Base-Backbone interact. energy: -0.744 local terms energy: -558.074713 where: bonds (distance) C4'-P energy: -106.513 bonds (distance) P-C4' energy: -94.892 flat angles C4'-P-C4' energy: -114.067 flat angles P-C4'-P energy: -73.336 tors. eta vs tors. theta energy: -169.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1785.188223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.188223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.188223 (E_RNA) where: Base-Base interactions energy: -1242.389 where: short stacking energy: -505.329 Base-Backbone interact. energy: -0.044 local terms energy: -542.754867 where: bonds (distance) C4'-P energy: -97.885 bonds (distance) P-C4' energy: -102.089 flat angles C4'-P-C4' energy: -102.762 flat angles P-C4'-P energy: -81.879 tors. eta vs tors. theta energy: -158.140 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: 9 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1719.230815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.230815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.230815 (E_RNA) where: Base-Base interactions energy: -1198.458 where: short stacking energy: -502.367 Base-Backbone interact. energy: -1.085 local terms energy: -519.688205 where: bonds (distance) C4'-P energy: -92.863 bonds (distance) P-C4' energy: -96.737 flat angles C4'-P-C4' energy: -109.402 flat angles P-C4'-P energy: -66.249 tors. eta vs tors. theta energy: -154.436 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: 5 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -1688.873942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.873942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.873942 (E_RNA) where: Base-Base interactions energy: -1187.852 where: short stacking energy: -469.296 Base-Backbone interact. energy: -0.793 local terms energy: -500.229451 where: bonds (distance) C4'-P energy: -91.380 bonds (distance) P-C4' energy: -97.325 flat angles C4'-P-C4' energy: -102.158 flat angles P-C4'-P energy: -61.936 tors. eta vs tors. theta energy: -147.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -1477.389144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.389144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.389144 (E_RNA) where: Base-Base interactions energy: -1022.950 where: short stacking energy: -430.953 Base-Backbone interact. energy: -0.685 local terms energy: -453.754205 where: bonds (distance) C4'-P energy: -86.887 bonds (distance) P-C4' energy: -80.412 flat angles C4'-P-C4' energy: -94.781 flat angles P-C4'-P energy: -69.993 tors. eta vs tors. theta energy: -121.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1433.913903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.913903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.913903 (E_RNA) where: Base-Base interactions energy: -1007.727 where: short stacking energy: -421.003 Base-Backbone interact. energy: 2.838 local terms energy: -429.024355 where: bonds (distance) C4'-P energy: -69.819 bonds (distance) P-C4' energy: -90.610 flat angles C4'-P-C4' energy: -101.958 flat angles P-C4'-P energy: -55.429 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: 7, replica: 10 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1348.729790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.729790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.729790 (E_RNA) where: Base-Base interactions energy: -936.361 where: short stacking energy: -390.047 Base-Backbone interact. energy: -0.544 local terms energy: -411.824996 where: bonds (distance) C4'-P energy: -67.916 bonds (distance) P-C4' energy: -85.809 flat angles C4'-P-C4' energy: -91.426 flat angles P-C4'-P energy: -58.760 tors. eta vs tors. theta energy: -107.913 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: 6 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1181.764494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.764494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.764494 (E_RNA) where: Base-Base interactions energy: -803.950 where: short stacking energy: -356.714 Base-Backbone interact. energy: -0.726 local terms energy: -377.088724 where: bonds (distance) C4'-P energy: -61.586 bonds (distance) P-C4' energy: -77.006 flat angles C4'-P-C4' energy: -100.389 flat angles P-C4'-P energy: -41.302 tors. eta vs tors. theta energy: -96.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -1161.097746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.097746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.097746 (E_RNA) where: Base-Base interactions energy: -778.617 where: short stacking energy: -336.765 Base-Backbone interact. energy: -1.909 local terms energy: -380.572266 where: bonds (distance) C4'-P energy: -70.490 bonds (distance) P-C4' energy: -69.442 flat angles C4'-P-C4' energy: -86.824 flat angles P-C4'-P energy: -56.896 tors. eta vs tors. theta energy: -96.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -616.889286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.889286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.889286 (E_RNA) where: Base-Base interactions energy: -313.014 where: short stacking energy: -161.750 Base-Backbone interact. energy: -0.745 local terms energy: -303.130334 where: bonds (distance) C4'-P energy: -84.481 bonds (distance) P-C4' energy: -91.226 flat angles C4'-P-C4' energy: -70.441 flat angles P-C4'-P energy: -39.882 tors. eta vs tors. theta energy: -17.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1836.103497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.103497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.103497 (E_RNA) where: Base-Base interactions energy: -1273.537 where: short stacking energy: -528.345 Base-Backbone interact. energy: -0.068 local terms energy: -562.498367 where: bonds (distance) C4'-P energy: -87.034 bonds (distance) P-C4' energy: -106.508 flat angles C4'-P-C4' energy: -120.283 flat angles P-C4'-P energy: -84.751 tors. eta vs tors. theta energy: -163.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1793.774623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.774623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.774623 (E_RNA) where: Base-Base interactions energy: -1260.708 where: short stacking energy: -515.445 Base-Backbone interact. energy: -1.026 local terms energy: -532.040467 where: bonds (distance) C4'-P energy: -86.354 bonds (distance) P-C4' energy: -104.906 flat angles C4'-P-C4' energy: -106.268 flat angles P-C4'-P energy: -71.769 tors. eta vs tors. theta energy: -162.744 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: 263 Temperature: 1.000000 Total energy: -1710.930656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.930656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.930656 (E_RNA) where: Base-Base interactions energy: -1201.479 where: short stacking energy: -496.375 Base-Backbone interact. energy: -0.148 local terms energy: -509.303623 where: bonds (distance) C4'-P energy: -73.419 bonds (distance) P-C4' energy: -88.299 flat angles C4'-P-C4' energy: -115.145 flat angles P-C4'-P energy: -77.897 tors. eta vs tors. theta energy: -154.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1664.628754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.628754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.628754 (E_RNA) where: Base-Base interactions energy: -1168.746 where: short stacking energy: -472.518 Base-Backbone interact. energy: -0.513 local terms energy: -495.369939 where: bonds (distance) C4'-P energy: -83.803 bonds (distance) P-C4' energy: -88.017 flat angles C4'-P-C4' energy: -104.334 flat angles P-C4'-P energy: -72.582 tors. eta vs tors. theta energy: -146.635 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: 8 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -1460.146990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.146990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.146990 (E_RNA) where: Base-Base interactions energy: -993.904 where: short stacking energy: -409.427 Base-Backbone interact. energy: 2.583 local terms energy: -468.825862 where: bonds (distance) C4'-P energy: -88.505 bonds (distance) P-C4' energy: -84.932 flat angles C4'-P-C4' energy: -103.992 flat angles P-C4'-P energy: -70.777 tors. eta vs tors. theta energy: -120.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1435.503729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.503729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.503729 (E_RNA) where: Base-Base interactions energy: -1014.530 where: short stacking energy: -420.113 Base-Backbone interact. energy: -0.698 local terms energy: -420.276327 where: bonds (distance) C4'-P energy: -61.371 bonds (distance) P-C4' energy: -84.040 flat angles C4'-P-C4' energy: -95.221 flat angles P-C4'-P energy: -64.662 tors. eta vs tors. theta energy: -114.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1313.484814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.484814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.484814 (E_RNA) where: Base-Base interactions energy: -906.152 where: short stacking energy: -391.065 Base-Backbone interact. energy: 5.409 local terms energy: -412.741413 where: bonds (distance) C4'-P energy: -71.943 bonds (distance) P-C4' energy: -74.437 flat angles C4'-P-C4' energy: -98.415 flat angles P-C4'-P energy: -56.882 tors. eta vs tors. theta energy: -111.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1154.654834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.654834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.654834 (E_RNA) where: Base-Base interactions energy: -771.427 where: short stacking energy: -316.965 Base-Backbone interact. energy: 7.239 local terms energy: -390.467034 where: bonds (distance) C4'-P energy: -77.913 bonds (distance) P-C4' energy: -83.598 flat angles C4'-P-C4' energy: -98.754 flat angles P-C4'-P energy: -58.287 tors. eta vs tors. theta energy: -71.916 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: 6 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -1112.788741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.788741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.788741 (E_RNA) where: Base-Base interactions energy: -769.838 where: short stacking energy: -331.526 Base-Backbone interact. energy: 11.523 local terms energy: -354.472952 where: bonds (distance) C4'-P energy: -58.617 bonds (distance) P-C4' energy: -63.270 flat angles C4'-P-C4' energy: -102.360 flat angles P-C4'-P energy: -47.387 tors. eta vs tors. theta energy: -82.839 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: 7 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -633.015602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.015602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.015602 (E_RNA) where: Base-Base interactions energy: -354.310 where: short stacking energy: -178.335 Base-Backbone interact. energy: -1.786 local terms energy: -276.920037 where: bonds (distance) C4'-P energy: -68.752 bonds (distance) P-C4' energy: -76.902 flat angles C4'-P-C4' energy: -75.522 flat angles P-C4'-P energy: -37.557 tors. eta vs tors. theta energy: -18.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1845.297007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.297007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.297007 (E_RNA) where: Base-Base interactions energy: -1285.046 where: short stacking energy: -513.848 Base-Backbone interact. energy: 0.357 local terms energy: -560.607501 where: bonds (distance) C4'-P energy: -89.418 bonds (distance) P-C4' energy: -101.858 flat angles C4'-P-C4' energy: -121.446 flat angles P-C4'-P energy: -85.724 tors. eta vs tors. theta energy: -162.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1781.248514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.248514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.248514 (E_RNA) where: Base-Base interactions energy: -1256.037 where: short stacking energy: -494.268 Base-Backbone interact. energy: -2.138 local terms energy: -523.073631 where: bonds (distance) C4'-P energy: -82.038 bonds (distance) P-C4' energy: -97.957 flat angles C4'-P-C4' energy: -114.273 flat angles P-C4'-P energy: -76.758 tors. eta vs tors. theta energy: -152.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1730.242961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.242961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.242961 (E_RNA) where: Base-Base interactions energy: -1202.047 where: short stacking energy: -485.308 Base-Backbone interact. energy: -0.900 local terms energy: -527.295903 where: bonds (distance) C4'-P energy: -89.495 bonds (distance) P-C4' energy: -97.477 flat angles C4'-P-C4' energy: -101.398 flat angles P-C4'-P energy: -81.537 tors. eta vs tors. theta energy: -157.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1691.600358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.600358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.600358 (E_RNA) where: Base-Base interactions energy: -1199.914 where: short stacking energy: -484.676 Base-Backbone interact. energy: -0.721 local terms energy: -490.965825 where: bonds (distance) C4'-P energy: -92.286 bonds (distance) P-C4' energy: -77.583 flat angles C4'-P-C4' energy: -105.204 flat angles P-C4'-P energy: -68.479 tors. eta vs tors. theta energy: -147.414 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: 8 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -1482.090533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.090533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.090533 (E_RNA) where: Base-Base interactions energy: -993.987 where: short stacking energy: -412.230 Base-Backbone interact. energy: -1.619 local terms energy: -486.483858 where: bonds (distance) C4'-P energy: -98.676 bonds (distance) P-C4' energy: -97.841 flat angles C4'-P-C4' energy: -93.159 flat angles P-C4'-P energy: -68.718 tors. eta vs tors. theta energy: -128.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -1439.119804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.119804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.119804 (E_RNA) where: Base-Base interactions energy: -1012.909 where: short stacking energy: -388.041 Base-Backbone interact. energy: -0.260 local terms energy: -425.951326 where: bonds (distance) C4'-P energy: -81.893 bonds (distance) P-C4' energy: -97.935 flat angles C4'-P-C4' energy: -87.470 flat angles P-C4'-P energy: -62.435 tors. eta vs tors. theta energy: -96.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1337.236543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.236543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.236543 (E_RNA) where: Base-Base interactions energy: -903.100 where: short stacking energy: -361.349 Base-Backbone interact. energy: -0.622 local terms energy: -433.514359 where: bonds (distance) C4'-P energy: -82.835 bonds (distance) P-C4' energy: -85.380 flat angles C4'-P-C4' energy: -89.184 flat angles P-C4'-P energy: -68.735 tors. eta vs tors. theta energy: -107.379 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: 2 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1185.223832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.223832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.223832 (E_RNA) where: Base-Base interactions energy: -810.131 where: short stacking energy: -331.770 Base-Backbone interact. energy: -1.885 local terms energy: -373.207857 where: bonds (distance) C4'-P energy: -68.276 bonds (distance) P-C4' energy: -90.332 flat angles C4'-P-C4' energy: -88.829 flat angles P-C4'-P energy: -48.575 tors. eta vs tors. theta energy: -77.196 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: 6 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -1071.518635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.518635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.518635 (E_RNA) where: Base-Base interactions energy: -713.435 where: short stacking energy: -297.548 Base-Backbone interact. energy: -1.823 local terms energy: -356.260463 where: bonds (distance) C4'-P energy: -84.282 bonds (distance) P-C4' energy: -60.028 flat angles C4'-P-C4' energy: -82.321 flat angles P-C4'-P energy: -49.716 tors. eta vs tors. theta energy: -79.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -657.551120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.551120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.551120 (E_RNA) where: Base-Base interactions energy: -377.774 where: short stacking energy: -196.633 Base-Backbone interact. energy: 3.885 local terms energy: -283.662806 where: bonds (distance) C4'-P energy: -63.366 bonds (distance) P-C4' energy: -72.024 flat angles C4'-P-C4' energy: -67.434 flat angles P-C4'-P energy: -45.929 tors. eta vs tors. theta energy: -34.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1828.164242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.164242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.164242 (E_RNA) where: Base-Base interactions energy: -1272.629 where: short stacking energy: -538.474 Base-Backbone interact. energy: -2.038 local terms energy: -553.497552 where: bonds (distance) C4'-P energy: -97.406 bonds (distance) P-C4' energy: -92.625 flat angles C4'-P-C4' energy: -120.273 flat angles P-C4'-P energy: -78.501 tors. eta vs tors. theta energy: -164.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1778.345088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.345088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.345088 (E_RNA) where: Base-Base interactions energy: -1250.487 where: short stacking energy: -497.062 Base-Backbone interact. energy: -2.470 local terms energy: -525.387730 where: bonds (distance) C4'-P energy: -83.205 bonds (distance) P-C4' energy: -89.822 flat angles C4'-P-C4' energy: -117.044 flat angles P-C4'-P energy: -77.224 tors. eta vs tors. theta energy: -158.093 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: 3, replica: 9 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1728.650630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.650630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.650630 (E_RNA) where: Base-Base interactions energy: -1216.818 where: short stacking energy: -486.077 Base-Backbone interact. energy: 0.474 local terms energy: -512.306756 where: bonds (distance) C4'-P energy: -94.697 bonds (distance) P-C4' energy: -86.214 flat angles C4'-P-C4' energy: -103.477 flat angles P-C4'-P energy: -72.782 tors. eta vs tors. theta energy: -155.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1638.499685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.499685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.499685 (E_RNA) where: Base-Base interactions energy: -1135.420 where: short stacking energy: -458.359 Base-Backbone interact. energy: -0.955 local terms energy: -502.124460 where: bonds (distance) C4'-P energy: -92.022 bonds (distance) P-C4' energy: -91.426 flat angles C4'-P-C4' energy: -102.163 flat angles P-C4'-P energy: -67.200 tors. eta vs tors. theta energy: -149.314 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: 265 Temperature: 1.100000 Total energy: -1485.462605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.462605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.462605 (E_RNA) where: Base-Base interactions energy: -1043.009 where: short stacking energy: -461.445 Base-Backbone interact. energy: 0.698 local terms energy: -443.152078 where: bonds (distance) C4'-P energy: -78.543 bonds (distance) P-C4' energy: -76.905 flat angles C4'-P-C4' energy: -96.730 flat angles P-C4'-P energy: -60.435 tors. eta vs tors. theta energy: -130.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1445.825806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.825806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.825806 (E_RNA) where: Base-Base interactions energy: -1035.758 where: short stacking energy: -407.892 Base-Backbone interact. energy: -3.258 local terms energy: -406.809664 where: bonds (distance) C4'-P energy: -72.845 bonds (distance) P-C4' energy: -71.701 flat angles C4'-P-C4' energy: -91.386 flat angles P-C4'-P energy: -56.729 tors. eta vs tors. theta energy: -114.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1315.023678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.023678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.023678 (E_RNA) where: Base-Base interactions energy: -899.844 where: short stacking energy: -367.571 Base-Backbone interact. energy: -3.546 local terms energy: -411.634492 where: bonds (distance) C4'-P energy: -80.593 bonds (distance) P-C4' energy: -97.548 flat angles C4'-P-C4' energy: -94.459 flat angles P-C4'-P energy: -44.583 tors. eta vs tors. theta energy: -94.451 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: 2 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1224.221149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.221149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.221149 (E_RNA) where: Base-Base interactions energy: -816.448 where: short stacking energy: -341.309 Base-Backbone interact. energy: -1.889 local terms energy: -405.884057 where: bonds (distance) C4'-P energy: -81.815 bonds (distance) P-C4' energy: -81.952 flat angles C4'-P-C4' energy: -89.144 flat angles P-C4'-P energy: -46.397 tors. eta vs tors. theta energy: -106.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -1059.783567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.783567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.783567 (E_RNA) where: Base-Base interactions energy: -690.495 where: short stacking energy: -288.265 Base-Backbone interact. energy: 0.603 local terms energy: -369.892115 where: bonds (distance) C4'-P energy: -84.757 bonds (distance) P-C4' energy: -75.698 flat angles C4'-P-C4' energy: -82.447 flat angles P-C4'-P energy: -60.556 tors. eta vs tors. theta energy: -66.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -655.529459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.529459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.529459 (E_RNA) where: Base-Base interactions energy: -372.460 where: short stacking energy: -201.228 Base-Backbone interact. energy: 3.652 local terms energy: -286.721059 where: bonds (distance) C4'-P energy: -64.635 bonds (distance) P-C4' energy: -92.079 flat angles C4'-P-C4' energy: -65.277 flat angles P-C4'-P energy: -51.547 tors. eta vs tors. theta energy: -13.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1841.157014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.157014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.157014 (E_RNA) where: Base-Base interactions energy: -1277.604 where: short stacking energy: -541.263 Base-Backbone interact. energy: -1.957 local terms energy: -561.596162 where: bonds (distance) C4'-P energy: -89.518 bonds (distance) P-C4' energy: -102.141 flat angles C4'-P-C4' energy: -122.097 flat angles P-C4'-P energy: -81.130 tors. eta vs tors. theta energy: -166.710 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: 1 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1782.350038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.350038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.350038 (E_RNA) where: Base-Base interactions energy: -1259.353 where: short stacking energy: -490.862 Base-Backbone interact. energy: -2.685 local terms energy: -520.312013 where: bonds (distance) C4'-P energy: -92.814 bonds (distance) P-C4' energy: -93.756 flat angles C4'-P-C4' energy: -110.773 flat angles P-C4'-P energy: -68.543 tors. eta vs tors. theta energy: -154.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1758.484031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.484031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.484031 (E_RNA) where: Base-Base interactions energy: -1244.401 where: short stacking energy: -507.781 Base-Backbone interact. energy: 0.080 local terms energy: -514.162963 where: bonds (distance) C4'-P energy: -87.557 bonds (distance) P-C4' energy: -86.887 flat angles C4'-P-C4' energy: -114.299 flat angles P-C4'-P energy: -75.265 tors. eta vs tors. theta energy: -150.155 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: 5 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1636.718859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.718859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.718859 (E_RNA) where: Base-Base interactions energy: -1147.865 where: short stacking energy: -460.060 Base-Backbone interact. energy: -2.060 local terms energy: -486.793531 where: bonds (distance) C4'-P energy: -77.283 bonds (distance) P-C4' energy: -87.821 flat angles C4'-P-C4' energy: -112.668 flat angles P-C4'-P energy: -61.771 tors. eta vs tors. theta energy: -147.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -1499.698818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.698818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.698818 (E_RNA) where: Base-Base interactions energy: -1051.143 where: short stacking energy: -446.478 Base-Backbone interact. energy: -0.628 local terms energy: -447.928553 where: bonds (distance) C4'-P energy: -69.276 bonds (distance) P-C4' energy: -89.811 flat angles C4'-P-C4' energy: -105.250 flat angles P-C4'-P energy: -64.614 tors. eta vs tors. theta energy: -118.978 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: 4 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1429.865360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.865360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.865360 (E_RNA) where: Base-Base interactions energy: -993.089 where: short stacking energy: -399.305 Base-Backbone interact. energy: 2.878 local terms energy: -439.654704 where: bonds (distance) C4'-P energy: -79.984 bonds (distance) P-C4' energy: -76.501 flat angles C4'-P-C4' energy: -100.435 flat angles P-C4'-P energy: -71.669 tors. eta vs tors. theta energy: -111.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1359.203402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.203402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.203402 (E_RNA) where: Base-Base interactions energy: -916.136 where: short stacking energy: -390.156 Base-Backbone interact. energy: -0.732 local terms energy: -442.335513 where: bonds (distance) C4'-P energy: -90.674 bonds (distance) P-C4' energy: -93.538 flat angles C4'-P-C4' energy: -89.945 flat angles P-C4'-P energy: -61.477 tors. eta vs tors. theta energy: -106.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1213.519616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.519616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.519616 (E_RNA) where: Base-Base interactions energy: -805.356 where: short stacking energy: -336.078 Base-Backbone interact. energy: -1.798 local terms energy: -406.365981 where: bonds (distance) C4'-P energy: -78.602 bonds (distance) P-C4' energy: -80.603 flat angles C4'-P-C4' energy: -89.094 flat angles P-C4'-P energy: -67.858 tors. eta vs tors. theta energy: -90.209 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: 6 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -1056.825618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.825618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.825618 (E_RNA) where: Base-Base interactions energy: -686.435 where: short stacking energy: -290.612 Base-Backbone interact. energy: 1.406 local terms energy: -371.796965 where: bonds (distance) C4'-P energy: -74.127 bonds (distance) P-C4' energy: -88.760 flat angles C4'-P-C4' energy: -93.107 flat angles P-C4'-P energy: -53.115 tors. eta vs tors. theta energy: -62.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -688.139994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.139994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.139994 (E_RNA) where: Base-Base interactions energy: -393.539 where: short stacking energy: -208.174 Base-Backbone interact. energy: -1.809 local terms energy: -292.791448 where: bonds (distance) C4'-P energy: -72.206 bonds (distance) P-C4' energy: -73.383 flat angles C4'-P-C4' energy: -72.982 flat angles P-C4'-P energy: -49.108 tors. eta vs tors. theta energy: -25.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1826.869200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.869200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.869200 (E_RNA) where: Base-Base interactions energy: -1277.060 where: short stacking energy: -525.493 Base-Backbone interact. energy: -1.007 local terms energy: -548.801815 where: bonds (distance) C4'-P energy: -98.207 bonds (distance) P-C4' energy: -101.893 flat angles C4'-P-C4' energy: -107.201 flat angles P-C4'-P energy: -75.748 tors. eta vs tors. theta energy: -165.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -1790.991636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.991636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.991636 (E_RNA) where: Base-Base interactions energy: -1261.693 where: short stacking energy: -513.699 Base-Backbone interact. energy: -0.402 local terms energy: -528.896684 where: bonds (distance) C4'-P energy: -84.218 bonds (distance) P-C4' energy: -91.783 flat angles C4'-P-C4' energy: -116.908 flat angles P-C4'-P energy: -76.713 tors. eta vs tors. theta energy: -159.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1747.745284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.745284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.745284 (E_RNA) where: Base-Base interactions energy: -1237.827 where: short stacking energy: -476.134 Base-Backbone interact. energy: 0.368 local terms energy: -510.286303 where: bonds (distance) C4'-P energy: -90.755 bonds (distance) P-C4' energy: -84.197 flat angles C4'-P-C4' energy: -114.677 flat angles P-C4'-P energy: -71.421 tors. eta vs tors. theta energy: -149.236 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: 5 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1665.497526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.497526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.497526 (E_RNA) where: Base-Base interactions energy: -1184.127 where: short stacking energy: -483.106 Base-Backbone interact. energy: -0.980 local terms energy: -480.390339 where: bonds (distance) C4'-P energy: -85.250 bonds (distance) P-C4' energy: -83.407 flat angles C4'-P-C4' energy: -110.928 flat angles P-C4'-P energy: -59.133 tors. eta vs tors. theta energy: -141.673 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: 5, replica: 8 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1517.691964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.691964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.691964 (E_RNA) where: Base-Base interactions energy: -1060.817 where: short stacking energy: -433.994 Base-Backbone interact. energy: 4.894 local terms energy: -461.769021 where: bonds (distance) C4'-P energy: -85.514 bonds (distance) P-C4' energy: -79.190 flat angles C4'-P-C4' energy: -100.620 flat angles P-C4'-P energy: -66.798 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: 6, replica: 4 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1470.649445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.649445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.649445 (E_RNA) where: Base-Base interactions energy: -1051.968 where: short stacking energy: -401.742 Base-Backbone interact. energy: 0.872 local terms energy: -419.553888 where: bonds (distance) C4'-P energy: -72.563 bonds (distance) P-C4' energy: -82.981 flat angles C4'-P-C4' energy: -92.651 flat angles P-C4'-P energy: -62.267 tors. eta vs tors. theta energy: -109.092 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: 7, replica: 10 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1365.929225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.929225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.929225 (E_RNA) where: Base-Base interactions energy: -943.739 where: short stacking energy: -379.124 Base-Backbone interact. energy: -0.901 local terms energy: -421.289625 where: bonds (distance) C4'-P energy: -88.675 bonds (distance) P-C4' energy: -74.758 flat angles C4'-P-C4' energy: -93.523 flat angles P-C4'-P energy: -61.188 tors. eta vs tors. theta energy: -103.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1260.378898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.378898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.378898 (E_RNA) where: Base-Base interactions energy: -852.131 where: short stacking energy: -363.141 Base-Backbone interact. energy: 1.622 local terms energy: -409.869378 where: bonds (distance) C4'-P energy: -91.444 bonds (distance) P-C4' energy: -75.845 flat angles C4'-P-C4' energy: -87.613 flat angles P-C4'-P energy: -58.522 tors. eta vs tors. theta energy: -96.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -1047.473878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.473878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.473878 (E_RNA) where: Base-Base interactions energy: -685.510 where: short stacking energy: -287.412 Base-Backbone interact. energy: -2.242 local terms energy: -359.721263 where: bonds (distance) C4'-P energy: -55.860 bonds (distance) P-C4' energy: -85.668 flat angles C4'-P-C4' energy: -91.203 flat angles P-C4'-P energy: -50.570 tors. eta vs tors. theta energy: -76.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -695.729480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.729480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.729480 (E_RNA) where: Base-Base interactions energy: -398.345 where: short stacking energy: -205.290 Base-Backbone interact. energy: -0.810 local terms energy: -296.574788 where: bonds (distance) C4'-P energy: -66.973 bonds (distance) P-C4' energy: -71.378 flat angles C4'-P-C4' energy: -77.778 flat angles P-C4'-P energy: -56.249 tors. eta vs tors. theta energy: -24.196 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: 3 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1816.074746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.074746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.074746 (E_RNA) where: Base-Base interactions energy: -1284.539 where: short stacking energy: -529.891 Base-Backbone interact. energy: 2.655 local terms energy: -534.190559 where: bonds (distance) C4'-P energy: -89.662 bonds (distance) P-C4' energy: -98.083 flat angles C4'-P-C4' energy: -111.469 flat angles P-C4'-P energy: -74.758 tors. eta vs tors. theta energy: -160.220 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: 9 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1806.557667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.557667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.557667 (E_RNA) where: Base-Base interactions energy: -1261.997 where: short stacking energy: -515.402 Base-Backbone interact. energy: -0.891 local terms energy: -543.669880 where: bonds (distance) C4'-P energy: -100.003 bonds (distance) P-C4' energy: -93.908 flat angles C4'-P-C4' energy: -114.718 flat angles P-C4'-P energy: -76.457 tors. eta vs tors. theta energy: -158.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1752.008602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.008602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.008602 (E_RNA) where: Base-Base interactions energy: -1243.024 where: short stacking energy: -481.309 Base-Backbone interact. energy: -3.270 local terms energy: -505.714665 where: bonds (distance) C4'-P energy: -92.485 bonds (distance) P-C4' energy: -90.822 flat angles C4'-P-C4' energy: -109.206 flat angles P-C4'-P energy: -67.594 tors. eta vs tors. theta energy: -145.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1665.044933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.044933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.044933 (E_RNA) where: Base-Base interactions energy: -1166.350 where: short stacking energy: -477.297 Base-Backbone interact. energy: -0.131 local terms energy: -498.564154 where: bonds (distance) C4'-P energy: -90.353 bonds (distance) P-C4' energy: -82.771 flat angles C4'-P-C4' energy: -107.982 flat angles P-C4'-P energy: -72.236 tors. eta vs tors. theta energy: -145.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1499.418718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.418718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.418718 (E_RNA) where: Base-Base interactions energy: -1026.507 where: short stacking energy: -434.111 Base-Backbone interact. energy: 1.054 local terms energy: -473.966245 where: bonds (distance) C4'-P energy: -93.713 bonds (distance) P-C4' energy: -99.130 flat angles C4'-P-C4' energy: -93.369 flat angles P-C4'-P energy: -68.079 tors. eta vs tors. theta energy: -119.675 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: 4 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1424.618160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.618160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.618160 (E_RNA) where: Base-Base interactions energy: -1020.030 where: short stacking energy: -393.262 Base-Backbone interact. energy: 3.038 local terms energy: -407.626436 where: bonds (distance) C4'-P energy: -81.815 bonds (distance) P-C4' energy: -75.466 flat angles C4'-P-C4' energy: -86.962 flat angles P-C4'-P energy: -56.444 tors. eta vs tors. theta energy: -106.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1347.344686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.344686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.344686 (E_RNA) where: Base-Base interactions energy: -917.664 where: short stacking energy: -369.358 Base-Backbone interact. energy: -0.511 local terms energy: -429.169964 where: bonds (distance) C4'-P energy: -73.887 bonds (distance) P-C4' energy: -88.191 flat angles C4'-P-C4' energy: -104.178 flat angles P-C4'-P energy: -58.357 tors. eta vs tors. theta energy: -104.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1253.713944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.713944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.713944 (E_RNA) where: Base-Base interactions energy: -857.946 where: short stacking energy: -360.939 Base-Backbone interact. energy: 1.148 local terms energy: -396.916597 where: bonds (distance) C4'-P energy: -59.431 bonds (distance) P-C4' energy: -80.172 flat angles C4'-P-C4' energy: -86.744 flat angles P-C4'-P energy: -73.147 tors. eta vs tors. theta energy: -97.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -1069.837495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.837495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.837495 (E_RNA) where: Base-Base interactions energy: -711.285 where: short stacking energy: -303.224 Base-Backbone interact. energy: -1.706 local terms energy: -356.846691 where: bonds (distance) C4'-P energy: -79.489 bonds (distance) P-C4' energy: -53.347 flat angles C4'-P-C4' energy: -81.730 flat angles P-C4'-P energy: -57.598 tors. eta vs tors. theta energy: -84.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -662.540441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.540441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.540441 (E_RNA) where: Base-Base interactions energy: -368.074 where: short stacking energy: -175.717 Base-Backbone interact. energy: 3.343 local terms energy: -297.809394 where: bonds (distance) C4'-P energy: -69.573 bonds (distance) P-C4' energy: -87.825 flat angles C4'-P-C4' energy: -72.140 flat angles P-C4'-P energy: -39.794 tors. eta vs tors. theta energy: -28.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1830.988826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.988826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.988826 (E_RNA) where: Base-Base interactions energy: -1277.424 where: short stacking energy: -532.143 Base-Backbone interact. energy: -2.172 local terms energy: -551.392884 where: bonds (distance) C4'-P energy: -91.620 bonds (distance) P-C4' energy: -99.305 flat angles C4'-P-C4' energy: -116.926 flat angles P-C4'-P energy: -78.943 tors. eta vs tors. theta energy: -164.598 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: 9 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1775.596050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.596050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.596050 (E_RNA) where: Base-Base interactions energy: -1263.113 where: short stacking energy: -503.044 Base-Backbone interact. energy: -1.628 local terms energy: -510.855664 where: bonds (distance) C4'-P energy: -89.659 bonds (distance) P-C4' energy: -89.405 flat angles C4'-P-C4' energy: -108.116 flat angles P-C4'-P energy: -70.807 tors. eta vs tors. theta energy: -152.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1750.179009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.179009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.179009 (E_RNA) where: Base-Base interactions energy: -1246.054 where: short stacking energy: -486.597 Base-Backbone interact. energy: -1.435 local terms energy: -502.690024 where: bonds (distance) C4'-P energy: -92.041 bonds (distance) P-C4' energy: -84.706 flat angles C4'-P-C4' energy: -105.829 flat angles P-C4'-P energy: -70.105 tors. eta vs tors. theta energy: -150.008 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: 4, replica: 5 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1668.476040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.476040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.476040 (E_RNA) where: Base-Base interactions energy: -1175.463 where: short stacking energy: -492.025 Base-Backbone interact. energy: -0.487 local terms energy: -492.526001 where: bonds (distance) C4'-P energy: -87.631 bonds (distance) P-C4' energy: -80.210 flat angles C4'-P-C4' energy: -95.547 flat angles P-C4'-P energy: -77.511 tors. eta vs tors. theta energy: -151.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1526.516416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.516416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.516416 (E_RNA) where: Base-Base interactions energy: -1086.737 where: short stacking energy: -430.299 Base-Backbone interact. energy: -2.166 local terms energy: -437.613587 where: bonds (distance) C4'-P energy: -80.272 bonds (distance) P-C4' energy: -85.021 flat angles C4'-P-C4' energy: -97.195 flat angles P-C4'-P energy: -57.346 tors. eta vs tors. theta energy: -117.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1441.238452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.238452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.238452 (E_RNA) where: Base-Base interactions energy: -996.267 where: short stacking energy: -417.325 Base-Backbone interact. energy: -1.927 local terms energy: -443.044526 where: bonds (distance) C4'-P energy: -83.578 bonds (distance) P-C4' energy: -94.146 flat angles C4'-P-C4' energy: -98.434 flat angles P-C4'-P energy: -54.841 tors. eta vs tors. theta energy: -112.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1295.716134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.716134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.716134 (E_RNA) where: Base-Base interactions energy: -875.428 where: short stacking energy: -352.947 Base-Backbone interact. energy: -2.210 local terms energy: -418.077852 where: bonds (distance) C4'-P energy: -85.545 bonds (distance) P-C4' energy: -86.946 flat angles C4'-P-C4' energy: -92.132 flat angles P-C4'-P energy: -59.021 tors. eta vs tors. theta energy: -94.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1228.997107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.997107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.997107 (E_RNA) where: Base-Base interactions energy: -843.724 where: short stacking energy: -360.190 Base-Backbone interact. energy: -0.675 local terms energy: -384.598064 where: bonds (distance) C4'-P energy: -59.839 bonds (distance) P-C4' energy: -86.615 flat angles C4'-P-C4' energy: -91.101 flat angles P-C4'-P energy: -43.576 tors. eta vs tors. theta energy: -103.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -1092.331263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.331263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.331263 (E_RNA) where: Base-Base interactions energy: -678.571 where: short stacking energy: -278.809 Base-Backbone interact. energy: -0.316 local terms energy: -413.444056 where: bonds (distance) C4'-P energy: -84.907 bonds (distance) P-C4' energy: -90.323 flat angles C4'-P-C4' energy: -93.433 flat angles P-C4'-P energy: -66.302 tors. eta vs tors. theta energy: -78.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -763.124124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.124124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.124124 (E_RNA) where: Base-Base interactions energy: -447.343 where: short stacking energy: -210.014 Base-Backbone interact. energy: 0.881 local terms energy: -316.662217 where: bonds (distance) C4'-P energy: -80.604 bonds (distance) P-C4' energy: -83.659 flat angles C4'-P-C4' energy: -61.126 flat angles P-C4'-P energy: -58.886 tors. eta vs tors. theta energy: -32.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1838.607653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.607653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.607653 (E_RNA) where: Base-Base interactions energy: -1278.457 where: short stacking energy: -533.646 Base-Backbone interact. energy: -1.527 local terms energy: -558.623538 where: bonds (distance) C4'-P energy: -98.393 bonds (distance) P-C4' energy: -103.904 flat angles C4'-P-C4' energy: -118.593 flat angles P-C4'-P energy: -74.580 tors. eta vs tors. theta energy: -163.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1785.077298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.077298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.077298 (E_RNA) where: Base-Base interactions energy: -1251.760 where: short stacking energy: -518.342 Base-Backbone interact. energy: -0.878 local terms energy: -532.438824 where: bonds (distance) C4'-P energy: -97.250 bonds (distance) P-C4' energy: -92.104 flat angles C4'-P-C4' energy: -108.058 flat angles P-C4'-P energy: -76.640 tors. eta vs tors. theta energy: -158.387 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: 1 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1767.210553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.210553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.210553 (E_RNA) where: Base-Base interactions energy: -1233.270 where: short stacking energy: -500.844 Base-Backbone interact. energy: -2.357 local terms energy: -531.583405 where: bonds (distance) C4'-P energy: -100.866 bonds (distance) P-C4' energy: -92.781 flat angles C4'-P-C4' energy: -107.115 flat angles P-C4'-P energy: -75.908 tors. eta vs tors. theta energy: -154.913 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: 5 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1677.738607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.738607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.738607 (E_RNA) where: Base-Base interactions energy: -1177.348 where: short stacking energy: -462.075 Base-Backbone interact. energy: -1.543 local terms energy: -498.848389 where: bonds (distance) C4'-P energy: -91.383 bonds (distance) P-C4' energy: -83.974 flat angles C4'-P-C4' energy: -103.188 flat angles P-C4'-P energy: -73.769 tors. eta vs tors. theta energy: -146.535 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: 5, replica: 8 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -1540.080538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.080538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.080538 (E_RNA) where: Base-Base interactions energy: -1059.069 where: short stacking energy: -438.104 Base-Backbone interact. energy: -2.063 local terms energy: -478.948123 where: bonds (distance) C4'-P energy: -86.049 bonds (distance) P-C4' energy: -87.645 flat angles C4'-P-C4' energy: -105.599 flat angles P-C4'-P energy: -70.560 tors. eta vs tors. theta energy: -129.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1466.030631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.030631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.030631 (E_RNA) where: Base-Base interactions energy: -1018.643 where: short stacking energy: -394.897 Base-Backbone interact. energy: 0.252 local terms energy: -447.639176 where: bonds (distance) C4'-P energy: -66.676 bonds (distance) P-C4' energy: -94.849 flat angles C4'-P-C4' energy: -100.954 flat angles P-C4'-P energy: -66.972 tors. eta vs tors. theta energy: -118.189 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: 10 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1305.727488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.727488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.727488 (E_RNA) where: Base-Base interactions energy: -890.505 where: short stacking energy: -372.502 Base-Backbone interact. energy: -0.449 local terms energy: -414.773000 where: bonds (distance) C4'-P energy: -73.494 bonds (distance) P-C4' energy: -89.340 flat angles C4'-P-C4' energy: -90.571 flat angles P-C4'-P energy: -63.112 tors. eta vs tors. theta energy: -98.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1266.551234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.551234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.551234 (E_RNA) where: Base-Base interactions energy: -859.740 where: short stacking energy: -357.394 Base-Backbone interact. energy: -2.265 local terms energy: -404.546003 where: bonds (distance) C4'-P energy: -86.467 bonds (distance) P-C4' energy: -83.849 flat angles C4'-P-C4' energy: -85.928 flat angles P-C4'-P energy: -53.871 tors. eta vs tors. theta energy: -94.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -1082.763757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.763757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.763757 (E_RNA) where: Base-Base interactions energy: -724.490 where: short stacking energy: -308.875 Base-Backbone interact. energy: -0.890 local terms energy: -357.383966 where: bonds (distance) C4'-P energy: -75.778 bonds (distance) P-C4' energy: -80.608 flat angles C4'-P-C4' energy: -72.251 flat angles P-C4'-P energy: -57.494 tors. eta vs tors. theta energy: -71.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -768.613296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.613296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.613296 (E_RNA) where: Base-Base interactions energy: -439.757 where: short stacking energy: -183.922 Base-Backbone interact. energy: -0.160 local terms energy: -328.696422 where: bonds (distance) C4'-P energy: -83.805 bonds (distance) P-C4' energy: -87.525 flat angles C4'-P-C4' energy: -81.582 flat angles P-C4'-P energy: -42.542 tors. eta vs tors. theta energy: -33.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1855.423482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.423482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.423482 (E_RNA) where: Base-Base interactions energy: -1285.403 where: short stacking energy: -522.536 Base-Backbone interact. energy: -2.524 local terms energy: -567.496263 where: bonds (distance) C4'-P energy: -94.277 bonds (distance) P-C4' energy: -102.558 flat angles C4'-P-C4' energy: -114.917 flat angles P-C4'-P energy: -86.310 tors. eta vs tors. theta energy: -169.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1794.426048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.426048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.426048 (E_RNA) where: Base-Base interactions energy: -1275.302 where: short stacking energy: -519.652 Base-Backbone interact. energy: 0.086 local terms energy: -519.209761 where: bonds (distance) C4'-P energy: -79.442 bonds (distance) P-C4' energy: -99.838 flat angles C4'-P-C4' energy: -102.416 flat angles P-C4'-P energy: -77.501 tors. eta vs tors. theta energy: -160.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1740.554583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.554583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.554583 (E_RNA) where: Base-Base interactions energy: -1222.972 where: short stacking energy: -483.368 Base-Backbone interact. energy: -2.038 local terms energy: -515.544845 where: bonds (distance) C4'-P energy: -88.496 bonds (distance) P-C4' energy: -88.125 flat angles C4'-P-C4' energy: -106.002 flat angles P-C4'-P energy: -84.008 tors. eta vs tors. theta energy: -148.913 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: 5 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1679.483091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.483091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.483091 (E_RNA) where: Base-Base interactions energy: -1182.055 where: short stacking energy: -462.989 Base-Backbone interact. energy: -0.484 local terms energy: -496.943744 where: bonds (distance) C4'-P energy: -93.648 bonds (distance) P-C4' energy: -97.614 flat angles C4'-P-C4' energy: -91.316 flat angles P-C4'-P energy: -68.375 tors. eta vs tors. theta energy: -145.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -1544.224933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.224933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.224933 (E_RNA) where: Base-Base interactions energy: -1079.317 where: short stacking energy: -441.448 Base-Backbone interact. energy: -0.828 local terms energy: -464.080770 where: bonds (distance) C4'-P energy: -79.784 bonds (distance) P-C4' energy: -92.282 flat angles C4'-P-C4' energy: -108.017 flat angles P-C4'-P energy: -62.265 tors. eta vs tors. theta energy: -121.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1388.105701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.105701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.105701 (E_RNA) where: Base-Base interactions energy: -946.574 where: short stacking energy: -414.464 Base-Backbone interact. energy: -1.046 local terms energy: -440.485181 where: bonds (distance) C4'-P energy: -70.692 bonds (distance) P-C4' energy: -92.323 flat angles C4'-P-C4' energy: -93.072 flat angles P-C4'-P energy: -63.795 tors. eta vs tors. theta energy: -120.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1458.915953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.915953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.915953 (E_RNA) where: Base-Base interactions energy: -1017.518 where: short stacking energy: -407.151 Base-Backbone interact. energy: 1.251 local terms energy: -442.648706 where: bonds (distance) C4'-P energy: -72.210 bonds (distance) P-C4' energy: -83.660 flat angles C4'-P-C4' energy: -92.985 flat angles P-C4'-P energy: -67.376 tors. eta vs tors. theta energy: -126.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1198.277628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.277628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.277628 (E_RNA) where: Base-Base interactions energy: -808.959 where: short stacking energy: -330.323 Base-Backbone interact. energy: 0.961 local terms energy: -390.279753 where: bonds (distance) C4'-P energy: -72.786 bonds (distance) P-C4' energy: -96.565 flat angles C4'-P-C4' energy: -90.349 flat angles P-C4'-P energy: -49.906 tors. eta vs tors. theta energy: -80.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -1083.124005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.124005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.124005 (E_RNA) where: Base-Base interactions energy: -721.689 where: short stacking energy: -298.366 Base-Backbone interact. energy: 0.633 local terms energy: -362.068269 where: bonds (distance) C4'-P energy: -80.455 bonds (distance) P-C4' energy: -78.714 flat angles C4'-P-C4' energy: -90.485 flat angles P-C4'-P energy: -48.045 tors. eta vs tors. theta energy: -64.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -799.414571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.414571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.414571 (E_RNA) where: Base-Base interactions energy: -494.887 where: short stacking energy: -213.633 Base-Backbone interact. energy: 2.127 local terms energy: -306.655089 where: bonds (distance) C4'-P energy: -75.182 bonds (distance) P-C4' energy: -80.117 flat angles C4'-P-C4' energy: -65.533 flat angles P-C4'-P energy: -60.617 tors. eta vs tors. theta energy: -25.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1822.791043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.791043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.791043 (E_RNA) where: Base-Base interactions energy: -1267.655 where: short stacking energy: -515.618 Base-Backbone interact. energy: -3.185 local terms energy: -551.951099 where: bonds (distance) C4'-P energy: -100.143 bonds (distance) P-C4' energy: -94.565 flat angles C4'-P-C4' energy: -112.786 flat angles P-C4'-P energy: -78.423 tors. eta vs tors. theta energy: -166.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1801.180968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.180968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.180968 (E_RNA) where: Base-Base interactions energy: -1280.577 where: short stacking energy: -517.979 Base-Backbone interact. energy: -2.220 local terms energy: -518.384847 where: bonds (distance) C4'-P energy: -90.368 bonds (distance) P-C4' energy: -86.496 flat angles C4'-P-C4' energy: -115.067 flat angles P-C4'-P energy: -68.707 tors. eta vs tors. theta energy: -157.747 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: 272 Temperature: 1.000000 Total energy: -1722.100515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.100515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.100515 (E_RNA) where: Base-Base interactions energy: -1208.128 where: short stacking energy: -474.257 Base-Backbone interact. energy: -1.935 local terms energy: -512.037912 where: bonds (distance) C4'-P energy: -85.068 bonds (distance) P-C4' energy: -98.146 flat angles C4'-P-C4' energy: -98.828 flat angles P-C4'-P energy: -76.763 tors. eta vs tors. theta energy: -153.234 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: 1 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1736.964239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.964239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.964239 (E_RNA) where: Base-Base interactions energy: -1225.691 where: short stacking energy: -486.011 Base-Backbone interact. energy: 0.501 local terms energy: -511.773466 where: bonds (distance) C4'-P energy: -94.374 bonds (distance) P-C4' energy: -89.049 flat angles C4'-P-C4' energy: -109.241 flat angles P-C4'-P energy: -71.541 tors. eta vs tors. theta energy: -147.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1546.714464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.714464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.714464 (E_RNA) where: Base-Base interactions energy: -1048.865 where: short stacking energy: -424.875 Base-Backbone interact. energy: -0.905 local terms energy: -496.944667 where: bonds (distance) C4'-P energy: -86.539 bonds (distance) P-C4' energy: -101.205 flat angles C4'-P-C4' energy: -105.305 flat angles P-C4'-P energy: -71.865 tors. eta vs tors. theta energy: -132.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1422.089554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.089554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.089554 (E_RNA) where: Base-Base interactions energy: -975.882 where: short stacking energy: -389.092 Base-Backbone interact. energy: -0.474 local terms energy: -445.732906 where: bonds (distance) C4'-P energy: -74.086 bonds (distance) P-C4' energy: -90.943 flat angles C4'-P-C4' energy: -87.772 flat angles P-C4'-P energy: -74.705 tors. eta vs tors. theta energy: -118.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1474.753339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.753339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.753339 (E_RNA) where: Base-Base interactions energy: -1029.420 where: short stacking energy: -406.175 Base-Backbone interact. energy: -1.536 local terms energy: -443.797128 where: bonds (distance) C4'-P energy: -80.532 bonds (distance) P-C4' energy: -91.011 flat angles C4'-P-C4' energy: -91.088 flat angles P-C4'-P energy: -51.740 tors. eta vs tors. theta energy: -129.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1192.478255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.478255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.478255 (E_RNA) where: Base-Base interactions energy: -790.245 where: short stacking energy: -330.352 Base-Backbone interact. energy: -0.858 local terms energy: -401.375785 where: bonds (distance) C4'-P energy: -89.027 bonds (distance) P-C4' energy: -90.279 flat angles C4'-P-C4' energy: -87.584 flat angles P-C4'-P energy: -56.850 tors. eta vs tors. theta energy: -77.635 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: 6 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -1048.750740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.750740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.750740 (E_RNA) where: Base-Base interactions energy: -690.334 where: short stacking energy: -283.252 Base-Backbone interact. energy: -0.553 local terms energy: -357.863532 where: bonds (distance) C4'-P energy: -65.857 bonds (distance) P-C4' energy: -81.172 flat angles C4'-P-C4' energy: -86.056 flat angles P-C4'-P energy: -60.237 tors. eta vs tors. theta energy: -64.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -777.467235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.467235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.467235 (E_RNA) where: Base-Base interactions energy: -454.777 where: short stacking energy: -200.735 Base-Backbone interact. energy: -0.537 local terms energy: -322.153914 where: bonds (distance) C4'-P energy: -75.022 bonds (distance) P-C4' energy: -88.466 flat angles C4'-P-C4' energy: -78.308 flat angles P-C4'-P energy: -39.960 tors. eta vs tors. theta energy: -40.398 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: 3 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1841.956147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.956147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.956147 (E_RNA) where: Base-Base interactions energy: -1289.247 where: short stacking energy: -518.410 Base-Backbone interact. energy: -1.578 local terms energy: -551.130772 where: bonds (distance) C4'-P energy: -100.307 bonds (distance) P-C4' energy: -106.528 flat angles C4'-P-C4' energy: -107.751 flat angles P-C4'-P energy: -73.969 tors. eta vs tors. theta energy: -162.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1765.348531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.348531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.348531 (E_RNA) where: Base-Base interactions energy: -1218.002 where: short stacking energy: -480.757 Base-Backbone interact. energy: -1.025 local terms energy: -546.321497 where: bonds (distance) C4'-P energy: -97.221 bonds (distance) P-C4' energy: -106.288 flat angles C4'-P-C4' energy: -116.270 flat angles P-C4'-P energy: -75.915 tors. eta vs tors. theta energy: -150.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1751.579385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.579385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.579385 (E_RNA) where: Base-Base interactions energy: -1225.561 where: short stacking energy: -491.970 Base-Backbone interact. energy: -2.680 local terms energy: -523.338753 where: bonds (distance) C4'-P energy: -90.588 bonds (distance) P-C4' energy: -88.584 flat angles C4'-P-C4' energy: -104.818 flat angles P-C4'-P energy: -82.449 tors. eta vs tors. theta energy: -156.899 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: 1 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1712.134985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.134985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.134985 (E_RNA) where: Base-Base interactions energy: -1216.862 where: short stacking energy: -486.887 Base-Backbone interact. energy: -1.269 local terms energy: -494.003988 where: bonds (distance) C4'-P energy: -79.007 bonds (distance) P-C4' energy: -89.210 flat angles C4'-P-C4' energy: -100.974 flat angles P-C4'-P energy: -70.730 tors. eta vs tors. theta energy: -154.083 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: 8 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1551.915721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.915721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.915721 (E_RNA) where: Base-Base interactions energy: -1062.431 where: short stacking energy: -429.408 Base-Backbone interact. energy: -1.491 local terms energy: -487.992908 where: bonds (distance) C4'-P energy: -91.331 bonds (distance) P-C4' energy: -87.945 flat angles C4'-P-C4' energy: -101.938 flat angles P-C4'-P energy: -82.424 tors. eta vs tors. theta energy: -124.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1491.107967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.107967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.107967 (E_RNA) where: Base-Base interactions energy: -1058.381 where: short stacking energy: -421.006 Base-Backbone interact. energy: -2.668 local terms energy: -430.058780 where: bonds (distance) C4'-P energy: -77.417 bonds (distance) P-C4' energy: -76.306 flat angles C4'-P-C4' energy: -102.270 flat angles P-C4'-P energy: -63.642 tors. eta vs tors. theta energy: -110.424 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: 7, replica: 10 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1408.985906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.985906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.985906 (E_RNA) where: Base-Base interactions energy: -966.557 where: short stacking energy: -391.629 Base-Backbone interact. energy: 0.182 local terms energy: -442.611680 where: bonds (distance) C4'-P energy: -92.420 bonds (distance) P-C4' energy: -70.603 flat angles C4'-P-C4' energy: -97.166 flat angles P-C4'-P energy: -58.739 tors. eta vs tors. theta energy: -123.684 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: 8, replica: 2 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1208.844270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.844270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.844270 (E_RNA) where: Base-Base interactions energy: -811.248 where: short stacking energy: -352.043 Base-Backbone interact. energy: 1.887 local terms energy: -399.483314 where: bonds (distance) C4'-P energy: -75.669 bonds (distance) P-C4' energy: -81.449 flat angles C4'-P-C4' energy: -97.295 flat angles P-C4'-P energy: -52.464 tors. eta vs tors. theta energy: -92.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -1073.813743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.813743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.813743 (E_RNA) where: Base-Base interactions energy: -681.162 where: short stacking energy: -304.121 Base-Backbone interact. energy: -0.281 local terms energy: -392.370456 where: bonds (distance) C4'-P energy: -69.746 bonds (distance) P-C4' energy: -79.806 flat angles C4'-P-C4' energy: -97.730 flat angles P-C4'-P energy: -60.802 tors. eta vs tors. theta energy: -84.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -760.843122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.843122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.843122 (E_RNA) where: Base-Base interactions energy: -447.995 where: short stacking energy: -213.605 Base-Backbone interact. energy: 4.258 local terms energy: -317.105666 where: bonds (distance) C4'-P energy: -63.892 bonds (distance) P-C4' energy: -83.954 flat angles C4'-P-C4' energy: -65.154 flat angles P-C4'-P energy: -53.337 tors. eta vs tors. theta energy: -50.769 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: 3 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1844.170397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.170397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.170397 (E_RNA) where: Base-Base interactions energy: -1287.480 where: short stacking energy: -533.783 Base-Backbone interact. energy: -0.570 local terms energy: -556.121139 where: bonds (distance) C4'-P energy: -90.191 bonds (distance) P-C4' energy: -107.820 flat angles C4'-P-C4' energy: -116.658 flat angles P-C4'-P energy: -71.699 tors. eta vs tors. theta energy: -169.753 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: 5 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -1753.690901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.690901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.690901 (E_RNA) where: Base-Base interactions energy: -1233.379 where: short stacking energy: -500.671 Base-Backbone interact. energy: 1.939 local terms energy: -522.250412 where: bonds (distance) C4'-P energy: -102.034 bonds (distance) P-C4' energy: -88.712 flat angles C4'-P-C4' energy: -110.304 flat angles P-C4'-P energy: -75.471 tors. eta vs tors. theta energy: -145.729 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: 9 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1741.898263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.898263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.898263 (E_RNA) where: Base-Base interactions energy: -1224.865 where: short stacking energy: -493.910 Base-Backbone interact. energy: -0.330 local terms energy: -516.703401 where: bonds (distance) C4'-P energy: -94.615 bonds (distance) P-C4' energy: -100.922 flat angles C4'-P-C4' energy: -109.555 flat angles P-C4'-P energy: -69.078 tors. eta vs tors. theta energy: -142.533 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: 1 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1719.248533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.248533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.248533 (E_RNA) where: Base-Base interactions energy: -1206.190 where: short stacking energy: -478.383 Base-Backbone interact. energy: -1.688 local terms energy: -511.371473 where: bonds (distance) C4'-P energy: -92.315 bonds (distance) P-C4' energy: -83.276 flat angles C4'-P-C4' energy: -106.839 flat angles P-C4'-P energy: -71.267 tors. eta vs tors. theta energy: -157.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1547.582500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.582500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.582500 (E_RNA) where: Base-Base interactions energy: -1077.718 where: short stacking energy: -444.163 Base-Backbone interact. energy: -0.864 local terms energy: -469.000563 where: bonds (distance) C4'-P energy: -81.391 bonds (distance) P-C4' energy: -88.616 flat angles C4'-P-C4' energy: -112.003 flat angles P-C4'-P energy: -59.482 tors. eta vs tors. theta energy: -127.508 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: 4 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -1551.375145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.375145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.375145 (E_RNA) where: Base-Base interactions energy: -1124.004 where: short stacking energy: -453.401 Base-Backbone interact. energy: 0.032 local terms energy: -427.402757 where: bonds (distance) C4'-P energy: -66.978 bonds (distance) P-C4' energy: -77.073 flat angles C4'-P-C4' energy: -88.720 flat angles P-C4'-P energy: -64.985 tors. eta vs tors. theta energy: -129.646 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: 274 Temperature: 1.200000 Total energy: -1417.805399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.805399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.805399 (E_RNA) where: Base-Base interactions energy: -1000.711 where: short stacking energy: -405.790 Base-Backbone interact. energy: -0.977 local terms energy: -416.117500 where: bonds (distance) C4'-P energy: -84.486 bonds (distance) P-C4' energy: -78.696 flat angles C4'-P-C4' energy: -81.520 flat angles P-C4'-P energy: -55.017 tors. eta vs tors. theta energy: -116.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1213.415381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.415381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.415381 (E_RNA) where: Base-Base interactions energy: -825.343 where: short stacking energy: -335.534 Base-Backbone interact. energy: 2.119 local terms energy: -390.191755 where: bonds (distance) C4'-P energy: -83.969 bonds (distance) P-C4' energy: -73.213 flat angles C4'-P-C4' energy: -94.737 flat angles P-C4'-P energy: -52.482 tors. eta vs tors. theta energy: -85.790 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: 6 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -1084.747591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.747591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.747591 (E_RNA) where: Base-Base interactions energy: -723.897 where: short stacking energy: -293.064 Base-Backbone interact. energy: 0.052 local terms energy: -360.902991 where: bonds (distance) C4'-P energy: -72.980 bonds (distance) P-C4' energy: -92.292 flat angles C4'-P-C4' energy: -78.798 flat angles P-C4'-P energy: -51.322 tors. eta vs tors. theta energy: -65.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -738.142598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.142598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.142598 (E_RNA) where: Base-Base interactions energy: -452.784 where: short stacking energy: -210.739 Base-Backbone interact. energy: 1.432 local terms energy: -286.790477 where: bonds (distance) C4'-P energy: -68.021 bonds (distance) P-C4' energy: -77.858 flat angles C4'-P-C4' energy: -62.734 flat angles P-C4'-P energy: -45.034 tors. eta vs tors. theta energy: -33.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1828.009188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.009188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.009188 (E_RNA) where: Base-Base interactions energy: -1292.799 where: short stacking energy: -533.502 Base-Backbone interact. energy: -1.785 local terms energy: -533.425960 where: bonds (distance) C4'-P energy: -98.952 bonds (distance) P-C4' energy: -91.821 flat angles C4'-P-C4' energy: -111.740 flat angles P-C4'-P energy: -69.226 tors. eta vs tors. theta energy: -161.688 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: 5 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1753.617477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.617477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.617477 (E_RNA) where: Base-Base interactions energy: -1226.641 where: short stacking energy: -489.383 Base-Backbone interact. energy: -2.038 local terms energy: -524.939224 where: bonds (distance) C4'-P energy: -97.394 bonds (distance) P-C4' energy: -100.423 flat angles C4'-P-C4' energy: -102.353 flat angles P-C4'-P energy: -74.432 tors. eta vs tors. theta energy: -150.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1755.979252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.979252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.979252 (E_RNA) where: Base-Base interactions energy: -1241.819 where: short stacking energy: -505.871 Base-Backbone interact. energy: -1.223 local terms energy: -512.936435 where: bonds (distance) C4'-P energy: -91.080 bonds (distance) P-C4' energy: -78.181 flat angles C4'-P-C4' energy: -108.564 flat angles P-C4'-P energy: -71.845 tors. eta vs tors. theta energy: -163.266 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: 1 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1672.541524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.541524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.541524 (E_RNA) where: Base-Base interactions energy: -1171.704 where: short stacking energy: -486.667 Base-Backbone interact. energy: 1.300 local terms energy: -502.137208 where: bonds (distance) C4'-P energy: -84.616 bonds (distance) P-C4' energy: -92.474 flat angles C4'-P-C4' energy: -117.204 flat angles P-C4'-P energy: -62.092 tors. eta vs tors. theta energy: -145.751 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: 8 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1515.776025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.776025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.776025 (E_RNA) where: Base-Base interactions energy: -1073.539 where: short stacking energy: -418.925 Base-Backbone interact. energy: 0.610 local terms energy: -442.847285 where: bonds (distance) C4'-P energy: -83.773 bonds (distance) P-C4' energy: -92.249 flat angles C4'-P-C4' energy: -97.784 flat angles P-C4'-P energy: -59.315 tors. eta vs tors. theta energy: -109.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1563.487333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.487333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.487333 (E_RNA) where: Base-Base interactions energy: -1108.074 where: short stacking energy: -450.612 Base-Backbone interact. energy: 1.397 local terms energy: -456.810140 where: bonds (distance) C4'-P energy: -80.274 bonds (distance) P-C4' energy: -76.798 flat angles C4'-P-C4' energy: -102.640 flat angles P-C4'-P energy: -58.390 tors. eta vs tors. theta energy: -138.708 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: 10 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1327.576415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.576415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.576415 (E_RNA) where: Base-Base interactions energy: -894.538 where: short stacking energy: -392.233 Base-Backbone interact. energy: -0.441 local terms energy: -432.597956 where: bonds (distance) C4'-P energy: -77.660 bonds (distance) P-C4' energy: -78.687 flat angles C4'-P-C4' energy: -92.940 flat angles P-C4'-P energy: -73.058 tors. eta vs tors. theta energy: -110.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1227.741856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.741856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.741856 (E_RNA) where: Base-Base interactions energy: -840.167 where: short stacking energy: -344.997 Base-Backbone interact. energy: -1.052 local terms energy: -386.523252 where: bonds (distance) C4'-P energy: -65.897 bonds (distance) P-C4' energy: -76.804 flat angles C4'-P-C4' energy: -90.576 flat angles P-C4'-P energy: -52.760 tors. eta vs tors. theta energy: -100.486 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: 6 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -1108.625176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.625176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.625176 (E_RNA) where: Base-Base interactions energy: -750.748 where: short stacking energy: -314.750 Base-Backbone interact. energy: 0.197 local terms energy: -358.074333 where: bonds (distance) C4'-P energy: -69.971 bonds (distance) P-C4' energy: -86.831 flat angles C4'-P-C4' energy: -75.473 flat angles P-C4'-P energy: -56.527 tors. eta vs tors. theta energy: -69.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -719.244652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.244652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.244652 (E_RNA) where: Base-Base interactions energy: -430.294 where: short stacking energy: -191.540 Base-Backbone interact. energy: 2.706 local terms energy: -291.656343 where: bonds (distance) C4'-P energy: -85.584 bonds (distance) P-C4' energy: -87.886 flat angles C4'-P-C4' energy: -62.128 flat angles P-C4'-P energy: -32.331 tors. eta vs tors. theta energy: -23.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1842.032083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.032083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.032083 (E_RNA) where: Base-Base interactions energy: -1289.067 where: short stacking energy: -528.723 Base-Backbone interact. energy: -0.094 local terms energy: -552.871394 where: bonds (distance) C4'-P energy: -94.287 bonds (distance) P-C4' energy: -98.982 flat angles C4'-P-C4' energy: -120.492 flat angles P-C4'-P energy: -79.470 tors. eta vs tors. theta energy: -159.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1741.910416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.910416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.910416 (E_RNA) where: Base-Base interactions energy: -1224.045 where: short stacking energy: -495.496 Base-Backbone interact. energy: 2.555 local terms energy: -520.420465 where: bonds (distance) C4'-P energy: -106.140 bonds (distance) P-C4' energy: -83.900 flat angles C4'-P-C4' energy: -104.935 flat angles P-C4'-P energy: -82.855 tors. eta vs tors. theta energy: -142.591 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: 3, replica: 9 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1773.844371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.844371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.844371 (E_RNA) where: Base-Base interactions energy: -1244.527 where: short stacking energy: -496.028 Base-Backbone interact. energy: -0.477 local terms energy: -528.840487 where: bonds (distance) C4'-P energy: -89.289 bonds (distance) P-C4' energy: -97.121 flat angles C4'-P-C4' energy: -109.712 flat angles P-C4'-P energy: -72.998 tors. eta vs tors. theta energy: -159.721 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: 1 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1669.749886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.749886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.749886 (E_RNA) where: Base-Base interactions energy: -1179.798 where: short stacking energy: -473.547 Base-Backbone interact. energy: 2.551 local terms energy: -492.502972 where: bonds (distance) C4'-P energy: -88.112 bonds (distance) P-C4' energy: -95.173 flat angles C4'-P-C4' energy: -97.717 flat angles P-C4'-P energy: -75.387 tors. eta vs tors. theta energy: -136.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -1580.880114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.880114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.880114 (E_RNA) where: Base-Base interactions energy: -1106.021 where: short stacking energy: -443.031 Base-Backbone interact. energy: -0.316 local terms energy: -474.543277 where: bonds (distance) C4'-P energy: -89.425 bonds (distance) P-C4' energy: -84.599 flat angles C4'-P-C4' energy: -109.538 flat angles P-C4'-P energy: -64.610 tors. eta vs tors. theta energy: -126.371 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: 4 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1555.940098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.940098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.940098 (E_RNA) where: Base-Base interactions energy: -1092.839 where: short stacking energy: -432.146 Base-Backbone interact. energy: 3.240 local terms energy: -466.341111 where: bonds (distance) C4'-P energy: -94.194 bonds (distance) P-C4' energy: -82.143 flat angles C4'-P-C4' energy: -91.976 flat angles P-C4'-P energy: -66.928 tors. eta vs tors. theta energy: -131.101 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: 10 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1334.303921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.303921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.303921 (E_RNA) where: Base-Base interactions energy: -926.931 where: short stacking energy: -384.391 Base-Backbone interact. energy: 0.846 local terms energy: -408.219316 where: bonds (distance) C4'-P energy: -81.417 bonds (distance) P-C4' energy: -73.409 flat angles C4'-P-C4' energy: -87.230 flat angles P-C4'-P energy: -58.648 tors. eta vs tors. theta energy: -107.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1255.789904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.789904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.789904 (E_RNA) where: Base-Base interactions energy: -820.823 where: short stacking energy: -353.505 Base-Backbone interact. energy: -1.832 local terms energy: -433.134467 where: bonds (distance) C4'-P energy: -84.599 bonds (distance) P-C4' energy: -97.669 flat angles C4'-P-C4' energy: -89.728 flat angles P-C4'-P energy: -56.957 tors. eta vs tors. theta energy: -104.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -1066.466354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.466354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.466354 (E_RNA) where: Base-Base interactions energy: -703.533 where: short stacking energy: -293.025 Base-Backbone interact. energy: -0.557 local terms energy: -362.376590 where: bonds (distance) C4'-P energy: -81.561 bonds (distance) P-C4' energy: -69.898 flat angles C4'-P-C4' energy: -89.593 flat angles P-C4'-P energy: -48.566 tors. eta vs tors. theta energy: -72.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -762.581732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.581732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.581732 (E_RNA) where: Base-Base interactions energy: -431.297 where: short stacking energy: -215.992 Base-Backbone interact. energy: 0.762 local terms energy: -332.046991 where: bonds (distance) C4'-P energy: -77.885 bonds (distance) P-C4' energy: -75.533 flat angles C4'-P-C4' energy: -80.275 flat angles P-C4'-P energy: -59.150 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: 1, replica: 3 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1843.714243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.714243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.714243 (E_RNA) where: Base-Base interactions energy: -1298.520 where: short stacking energy: -538.455 Base-Backbone interact. energy: -1.867 local terms energy: -543.328001 where: bonds (distance) C4'-P energy: -81.208 bonds (distance) P-C4' energy: -99.913 flat angles C4'-P-C4' energy: -114.863 flat angles P-C4'-P energy: -83.599 tors. eta vs tors. theta energy: -163.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1768.489233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.489233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.489233 (E_RNA) where: Base-Base interactions energy: -1243.349 where: short stacking energy: -516.565 Base-Backbone interact. energy: 0.190 local terms energy: -525.330400 where: bonds (distance) C4'-P energy: -102.134 bonds (distance) P-C4' energy: -84.395 flat angles C4'-P-C4' energy: -104.248 flat angles P-C4'-P energy: -73.923 tors. eta vs tors. theta energy: -160.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -1702.980963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.980963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.980963 (E_RNA) where: Base-Base interactions energy: -1209.535 where: short stacking energy: -481.477 Base-Backbone interact. energy: -0.311 local terms energy: -493.135405 where: bonds (distance) C4'-P energy: -71.390 bonds (distance) P-C4' energy: -94.156 flat angles C4'-P-C4' energy: -110.290 flat angles P-C4'-P energy: -74.215 tors. eta vs tors. theta energy: -143.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1654.533303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.533303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.533303 (E_RNA) where: Base-Base interactions energy: -1172.218 where: short stacking energy: -479.622 Base-Backbone interact. energy: -2.413 local terms energy: -479.902091 where: bonds (distance) C4'-P energy: -80.843 bonds (distance) P-C4' energy: -73.496 flat angles C4'-P-C4' energy: -108.410 flat angles P-C4'-P energy: -68.754 tors. eta vs tors. theta energy: -148.399 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: 8 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -1540.996647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.996647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.996647 (E_RNA) where: Base-Base interactions energy: -1078.552 where: short stacking energy: -449.940 Base-Backbone interact. energy: 0.604 local terms energy: -463.048625 where: bonds (distance) C4'-P energy: -85.200 bonds (distance) P-C4' energy: -87.938 flat angles C4'-P-C4' energy: -97.043 flat angles P-C4'-P energy: -64.735 tors. eta vs tors. theta energy: -128.133 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: 4 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1556.248594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.248594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.248594 (E_RNA) where: Base-Base interactions energy: -1063.831 where: short stacking energy: -422.915 Base-Backbone interact. energy: -4.329 local terms energy: -488.089371 where: bonds (distance) C4'-P energy: -83.131 bonds (distance) P-C4' energy: -92.028 flat angles C4'-P-C4' energy: -104.125 flat angles P-C4'-P energy: -74.317 tors. eta vs tors. theta energy: -134.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1323.294078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.294078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.294078 (E_RNA) where: Base-Base interactions energy: -879.907 where: short stacking energy: -372.727 Base-Backbone interact. energy: -0.225 local terms energy: -443.162460 where: bonds (distance) C4'-P energy: -93.907 bonds (distance) P-C4' energy: -83.399 flat angles C4'-P-C4' energy: -93.137 flat angles P-C4'-P energy: -61.506 tors. eta vs tors. theta energy: -111.213 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: 2 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1239.543242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.543242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.543242 (E_RNA) where: Base-Base interactions energy: -845.384 where: short stacking energy: -367.319 Base-Backbone interact. energy: -1.965 local terms energy: -392.195169 where: bonds (distance) C4'-P energy: -74.107 bonds (distance) P-C4' energy: -84.561 flat angles C4'-P-C4' energy: -79.811 flat angles P-C4'-P energy: -55.653 tors. eta vs tors. theta energy: -98.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -1102.883745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.883745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.883745 (E_RNA) where: Base-Base interactions energy: -735.648 where: short stacking energy: -286.821 Base-Backbone interact. energy: -1.676 local terms energy: -365.559726 where: bonds (distance) C4'-P energy: -79.345 bonds (distance) P-C4' energy: -75.077 flat angles C4'-P-C4' energy: -86.666 flat angles P-C4'-P energy: -50.760 tors. eta vs tors. theta energy: -73.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -691.840220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.840220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.840220 (E_RNA) where: Base-Base interactions energy: -396.829 where: short stacking energy: -189.886 Base-Backbone interact. energy: -0.326 local terms energy: -294.685369 where: bonds (distance) C4'-P energy: -86.288 bonds (distance) P-C4' energy: -79.361 flat angles C4'-P-C4' energy: -63.418 flat angles P-C4'-P energy: -30.162 tors. eta vs tors. theta energy: -35.458 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: 3 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1840.820208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.820208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.820208 (E_RNA) where: Base-Base interactions energy: -1285.531 where: short stacking energy: -531.371 Base-Backbone interact. energy: -0.534 local terms energy: -554.755153 where: bonds (distance) C4'-P energy: -99.481 bonds (distance) P-C4' energy: -103.787 flat angles C4'-P-C4' energy: -116.675 flat angles P-C4'-P energy: -70.210 tors. eta vs tors. theta energy: -164.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1796.571641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.571641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.571641 (E_RNA) where: Base-Base interactions energy: -1273.617 where: short stacking energy: -514.967 Base-Backbone interact. energy: -0.851 local terms energy: -522.103084 where: bonds (distance) C4'-P energy: -79.392 bonds (distance) P-C4' energy: -107.980 flat angles C4'-P-C4' energy: -111.063 flat angles P-C4'-P energy: -67.228 tors. eta vs tors. theta energy: -156.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1696.711592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.711592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.711592 (E_RNA) where: Base-Base interactions energy: -1189.349 where: short stacking energy: -476.636 Base-Backbone interact. energy: 1.444 local terms energy: -508.806238 where: bonds (distance) C4'-P energy: -90.857 bonds (distance) P-C4' energy: -87.617 flat angles C4'-P-C4' energy: -104.200 flat angles P-C4'-P energy: -79.316 tors. eta vs tors. theta energy: -146.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1687.622136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.622136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.622136 (E_RNA) where: Base-Base interactions energy: -1172.347 where: short stacking energy: -480.203 Base-Backbone interact. energy: 2.071 local terms energy: -517.345626 where: bonds (distance) C4'-P energy: -86.322 bonds (distance) P-C4' energy: -90.223 flat angles C4'-P-C4' energy: -109.537 flat angles P-C4'-P energy: -77.841 tors. eta vs tors. theta energy: -153.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -1543.234242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.234242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.234242 (E_RNA) where: Base-Base interactions energy: -1076.760 where: short stacking energy: -434.904 Base-Backbone interact. energy: 2.022 local terms energy: -468.495553 where: bonds (distance) C4'-P energy: -85.502 bonds (distance) P-C4' energy: -79.115 flat angles C4'-P-C4' energy: -110.271 flat angles P-C4'-P energy: -72.557 tors. eta vs tors. theta energy: -121.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1568.568441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.568441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.568441 (E_RNA) where: Base-Base interactions energy: -1099.941 where: short stacking energy: -443.018 Base-Backbone interact. energy: -0.866 local terms energy: -467.761252 where: bonds (distance) C4'-P energy: -82.353 bonds (distance) P-C4' energy: -93.564 flat angles C4'-P-C4' energy: -99.870 flat angles P-C4'-P energy: -51.062 tors. eta vs tors. theta energy: -140.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1311.814963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.814963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.814963 (E_RNA) where: Base-Base interactions energy: -846.596 where: short stacking energy: -369.893 Base-Backbone interact. energy: -0.639 local terms energy: -464.580059 where: bonds (distance) C4'-P energy: -103.234 bonds (distance) P-C4' energy: -88.301 flat angles C4'-P-C4' energy: -99.362 flat angles P-C4'-P energy: -65.460 tors. eta vs tors. theta energy: -108.222 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: 2 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1242.581379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.581379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.581379 (E_RNA) where: Base-Base interactions energy: -829.491 where: short stacking energy: -341.930 Base-Backbone interact. energy: 0.401 local terms energy: -413.491505 where: bonds (distance) C4'-P energy: -84.029 bonds (distance) P-C4' energy: -75.927 flat angles C4'-P-C4' energy: -94.695 flat angles P-C4'-P energy: -71.865 tors. eta vs tors. theta energy: -86.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -1095.616739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.616739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.616739 (E_RNA) where: Base-Base interactions energy: -720.694 where: short stacking energy: -286.996 Base-Backbone interact. energy: 2.320 local terms energy: -377.242377 where: bonds (distance) C4'-P energy: -67.643 bonds (distance) P-C4' energy: -84.582 flat angles C4'-P-C4' energy: -85.601 flat angles P-C4'-P energy: -67.789 tors. eta vs tors. theta energy: -71.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -704.363175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.363175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.363175 (E_RNA) where: Base-Base interactions energy: -412.897 where: short stacking energy: -196.309 Base-Backbone interact. energy: 1.818 local terms energy: -293.283800 where: bonds (distance) C4'-P energy: -77.298 bonds (distance) P-C4' energy: -79.663 flat angles C4'-P-C4' energy: -60.003 flat angles P-C4'-P energy: -40.292 tors. eta vs tors. theta energy: -36.027 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: 3 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1864.958047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.958047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.958047 (E_RNA) where: Base-Base interactions energy: -1314.971 where: short stacking energy: -550.380 Base-Backbone interact. energy: -2.198 local terms energy: -547.789453 where: bonds (distance) C4'-P energy: -90.083 bonds (distance) P-C4' energy: -95.698 flat angles C4'-P-C4' energy: -115.518 flat angles P-C4'-P energy: -80.166 tors. eta vs tors. theta energy: -166.323 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: 9 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1778.382230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.382230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.382230 (E_RNA) where: Base-Base interactions energy: -1252.452 where: short stacking energy: -502.858 Base-Backbone interact. energy: 1.460 local terms energy: -527.389924 where: bonds (distance) C4'-P energy: -105.176 bonds (distance) P-C4' energy: -93.378 flat angles C4'-P-C4' energy: -107.314 flat angles P-C4'-P energy: -67.604 tors. eta vs tors. theta energy: -153.919 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: 5 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1698.136036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.136036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.136036 (E_RNA) where: Base-Base interactions energy: -1192.957 where: short stacking energy: -475.753 Base-Backbone interact. energy: -0.433 local terms energy: -504.745778 where: bonds (distance) C4'-P energy: -92.182 bonds (distance) P-C4' energy: -104.840 flat angles C4'-P-C4' energy: -101.030 flat angles P-C4'-P energy: -68.312 tors. eta vs tors. theta energy: -138.382 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: 1 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1677.752404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.752404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.752404 (E_RNA) where: Base-Base interactions energy: -1176.012 where: short stacking energy: -493.070 Base-Backbone interact. energy: -0.801 local terms energy: -500.939743 where: bonds (distance) C4'-P energy: -87.352 bonds (distance) P-C4' energy: -89.065 flat angles C4'-P-C4' energy: -103.575 flat angles P-C4'-P energy: -65.707 tors. eta vs tors. theta energy: -155.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -1532.167530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.167530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.167530 (E_RNA) where: Base-Base interactions energy: -1039.266 where: short stacking energy: -427.731 Base-Backbone interact. energy: -1.478 local terms energy: -491.423769 where: bonds (distance) C4'-P energy: -87.502 bonds (distance) P-C4' energy: -90.715 flat angles C4'-P-C4' energy: -106.576 flat angles P-C4'-P energy: -74.197 tors. eta vs tors. theta energy: -132.433 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: 4 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1562.248821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.248821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.248821 (E_RNA) where: Base-Base interactions energy: -1094.209 where: short stacking energy: -444.642 Base-Backbone interact. energy: -0.409 local terms energy: -467.631017 where: bonds (distance) C4'-P energy: -71.553 bonds (distance) P-C4' energy: -94.916 flat angles C4'-P-C4' energy: -101.917 flat angles P-C4'-P energy: -74.738 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: 7, replica: 10 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1346.120735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.120735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.120735 (E_RNA) where: Base-Base interactions energy: -928.557 where: short stacking energy: -376.758 Base-Backbone interact. energy: 0.276 local terms energy: -417.840110 where: bonds (distance) C4'-P energy: -73.028 bonds (distance) P-C4' energy: -87.438 flat angles C4'-P-C4' energy: -89.688 flat angles P-C4'-P energy: -63.213 tors. eta vs tors. theta energy: -104.474 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: 2 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1240.316938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.316938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.316938 (E_RNA) where: Base-Base interactions energy: -830.563 where: short stacking energy: -321.635 Base-Backbone interact. energy: 1.589 local terms energy: -411.342746 where: bonds (distance) C4'-P energy: -93.171 bonds (distance) P-C4' energy: -78.610 flat angles C4'-P-C4' energy: -91.131 flat angles P-C4'-P energy: -62.425 tors. eta vs tors. theta energy: -86.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -1076.163131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.163131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.163131 (E_RNA) where: Base-Base interactions energy: -714.146 where: short stacking energy: -290.570 Base-Backbone interact. energy: -1.280 local terms energy: -360.737066 where: bonds (distance) C4'-P energy: -75.715 bonds (distance) P-C4' energy: -84.969 flat angles C4'-P-C4' energy: -77.849 flat angles P-C4'-P energy: -54.973 tors. eta vs tors. theta energy: -67.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -727.514265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.514265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.514265 (E_RNA) where: Base-Base interactions energy: -412.293 where: short stacking energy: -192.108 Base-Backbone interact. energy: -1.782 local terms energy: -313.439318 where: bonds (distance) C4'-P energy: -84.290 bonds (distance) P-C4' energy: -82.748 flat angles C4'-P-C4' energy: -75.785 flat angles P-C4'-P energy: -46.086 tors. eta vs tors. theta energy: -24.530 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: 3 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1830.372175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.372175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.372175 (E_RNA) where: Base-Base interactions energy: -1289.506 where: short stacking energy: -523.172 Base-Backbone interact. energy: -2.095 local terms energy: -538.770880 where: bonds (distance) C4'-P energy: -99.997 bonds (distance) P-C4' energy: -88.424 flat angles C4'-P-C4' energy: -109.245 flat angles P-C4'-P energy: -79.189 tors. eta vs tors. theta energy: -161.916 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: 9 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1774.211648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.211648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.211648 (E_RNA) where: Base-Base interactions energy: -1245.382 where: short stacking energy: -505.654 Base-Backbone interact. energy: 0.649 local terms energy: -529.478336 where: bonds (distance) C4'-P energy: -102.223 bonds (distance) P-C4' energy: -94.525 flat angles C4'-P-C4' energy: -102.726 flat angles P-C4'-P energy: -76.792 tors. eta vs tors. theta energy: -153.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1684.883658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.883658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.883658 (E_RNA) where: Base-Base interactions energy: -1195.457 where: short stacking energy: -478.745 Base-Backbone interact. energy: -1.148 local terms energy: -488.278854 where: bonds (distance) C4'-P energy: -95.332 bonds (distance) P-C4' energy: -76.869 flat angles C4'-P-C4' energy: -100.053 flat angles P-C4'-P energy: -72.347 tors. eta vs tors. theta energy: -143.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -1684.120492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.120492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.120492 (E_RNA) where: Base-Base interactions energy: -1177.529 where: short stacking energy: -484.370 Base-Backbone interact. energy: 2.752 local terms energy: -509.343789 where: bonds (distance) C4'-P energy: -90.073 bonds (distance) P-C4' energy: -93.889 flat angles C4'-P-C4' energy: -111.918 flat angles P-C4'-P energy: -64.060 tors. eta vs tors. theta energy: -149.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -1586.881121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.881121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.881121 (E_RNA) where: Base-Base interactions energy: -1119.350 where: short stacking energy: -458.640 Base-Backbone interact. energy: 0.002 local terms energy: -467.532927 where: bonds (distance) C4'-P energy: -77.587 bonds (distance) P-C4' energy: -86.939 flat angles C4'-P-C4' energy: -100.526 flat angles P-C4'-P energy: -72.347 tors. eta vs tors. theta energy: -130.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1484.588297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.588297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.588297 (E_RNA) where: Base-Base interactions energy: -1024.544 where: short stacking energy: -417.799 Base-Backbone interact. energy: -2.614 local terms energy: -457.430671 where: bonds (distance) C4'-P energy: -83.860 bonds (distance) P-C4' energy: -87.317 flat angles C4'-P-C4' energy: -98.919 flat angles P-C4'-P energy: -67.511 tors. eta vs tors. theta energy: -119.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1308.671821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.671821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.671821 (E_RNA) where: Base-Base interactions energy: -892.870 where: short stacking energy: -377.163 Base-Backbone interact. energy: 0.526 local terms energy: -416.327678 where: bonds (distance) C4'-P energy: -76.982 bonds (distance) P-C4' energy: -83.838 flat angles C4'-P-C4' energy: -89.335 flat angles P-C4'-P energy: -56.602 tors. eta vs tors. theta energy: -109.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1192.241607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.241607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.241607 (E_RNA) where: Base-Base interactions energy: -797.080 where: short stacking energy: -339.837 Base-Backbone interact. energy: -0.629 local terms energy: -394.532614 where: bonds (distance) C4'-P energy: -91.006 bonds (distance) P-C4' energy: -73.924 flat angles C4'-P-C4' energy: -84.474 flat angles P-C4'-P energy: -51.220 tors. eta vs tors. theta energy: -93.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -1042.018150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.018150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.018150 (E_RNA) where: Base-Base interactions energy: -693.369 where: short stacking energy: -290.759 Base-Backbone interact. energy: -1.122 local terms energy: -347.526433 where: bonds (distance) C4'-P energy: -68.523 bonds (distance) P-C4' energy: -76.324 flat angles C4'-P-C4' energy: -85.047 flat angles P-C4'-P energy: -52.257 tors. eta vs tors. theta energy: -65.376 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: 7 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -709.410655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.410655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.410655 (E_RNA) where: Base-Base interactions energy: -428.682 where: short stacking energy: -206.827 Base-Backbone interact. energy: 2.097 local terms energy: -282.826483 where: bonds (distance) C4'-P energy: -71.824 bonds (distance) P-C4' energy: -82.396 flat angles C4'-P-C4' energy: -63.764 flat angles P-C4'-P energy: -45.760 tors. eta vs tors. theta energy: -19.082 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: 1, replica: 3 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1848.759699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.759699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.759699 (E_RNA) where: Base-Base interactions energy: -1300.160 where: short stacking energy: -534.190 Base-Backbone interact. energy: -0.728 local terms energy: -547.871367 where: bonds (distance) C4'-P energy: -94.313 bonds (distance) P-C4' energy: -92.563 flat angles C4'-P-C4' energy: -104.678 flat angles P-C4'-P energy: -86.701 tors. eta vs tors. theta energy: -169.618 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: 9 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1795.270458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.270458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.270458 (E_RNA) where: Base-Base interactions energy: -1263.794 where: short stacking energy: -505.387 Base-Backbone interact. energy: 0.674 local terms energy: -532.149988 where: bonds (distance) C4'-P energy: -94.609 bonds (distance) P-C4' energy: -76.207 flat angles C4'-P-C4' energy: -113.478 flat angles P-C4'-P energy: -87.007 tors. eta vs tors. theta energy: -160.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1751.784816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.784816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.784816 (E_RNA) where: Base-Base interactions energy: -1235.813 where: short stacking energy: -486.380 Base-Backbone interact. energy: -0.849 local terms energy: -515.122903 where: bonds (distance) C4'-P energy: -93.566 bonds (distance) P-C4' energy: -85.764 flat angles C4'-P-C4' energy: -104.802 flat angles P-C4'-P energy: -80.794 tors. eta vs tors. theta energy: -150.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1671.948152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.948152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.948152 (E_RNA) where: Base-Base interactions energy: -1166.314 where: short stacking energy: -467.470 Base-Backbone interact. energy: -3.054 local terms energy: -502.579860 where: bonds (distance) C4'-P energy: -96.060 bonds (distance) P-C4' energy: -87.518 flat angles C4'-P-C4' energy: -101.383 flat angles P-C4'-P energy: -71.363 tors. eta vs tors. theta energy: -146.256 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: 4 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -1570.593006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.593006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.593006 (E_RNA) where: Base-Base interactions energy: -1105.100 where: short stacking energy: -432.813 Base-Backbone interact. energy: 0.439 local terms energy: -465.931857 where: bonds (distance) C4'-P energy: -87.953 bonds (distance) P-C4' energy: -81.259 flat angles C4'-P-C4' energy: -95.044 flat angles P-C4'-P energy: -63.097 tors. eta vs tors. theta energy: -138.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1514.335502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.335502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.335502 (E_RNA) where: Base-Base interactions energy: -1053.529 where: short stacking energy: -427.953 Base-Backbone interact. energy: 1.188 local terms energy: -461.994458 where: bonds (distance) C4'-P energy: -88.090 bonds (distance) P-C4' energy: -86.179 flat angles C4'-P-C4' energy: -93.029 flat angles P-C4'-P energy: -62.843 tors. eta vs tors. theta energy: -131.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1299.536869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.536869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.536869 (E_RNA) where: Base-Base interactions energy: -877.504 where: short stacking energy: -361.296 Base-Backbone interact. energy: -0.267 local terms energy: -421.766001 where: bonds (distance) C4'-P energy: -87.677 bonds (distance) P-C4' energy: -77.460 flat angles C4'-P-C4' energy: -91.326 flat angles P-C4'-P energy: -60.386 tors. eta vs tors. theta energy: -104.917 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: 8, replica: 6 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1144.683880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.683880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.683880 (E_RNA) where: Base-Base interactions energy: -766.015 where: short stacking energy: -339.375 Base-Backbone interact. energy: -2.181 local terms energy: -376.488139 where: bonds (distance) C4'-P energy: -70.771 bonds (distance) P-C4' energy: -90.538 flat angles C4'-P-C4' energy: -81.784 flat angles P-C4'-P energy: -49.334 tors. eta vs tors. theta energy: -84.061 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: 2 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -1152.681891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.681891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.681891 (E_RNA) where: Base-Base interactions energy: -788.398 where: short stacking energy: -323.814 Base-Backbone interact. energy: 0.224 local terms energy: -364.508615 where: bonds (distance) C4'-P energy: -81.977 bonds (distance) P-C4' energy: -62.834 flat angles C4'-P-C4' energy: -87.489 flat angles P-C4'-P energy: -55.953 tors. eta vs tors. theta energy: -76.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -719.868617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.868617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.868617 (E_RNA) where: Base-Base interactions energy: -410.403 where: short stacking energy: -192.539 Base-Backbone interact. energy: 2.366 local terms energy: -311.831262 where: bonds (distance) C4'-P energy: -83.351 bonds (distance) P-C4' energy: -81.978 flat angles C4'-P-C4' energy: -67.685 flat angles P-C4'-P energy: -59.007 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: 1, replica: 3 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1839.622986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.622986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.622986 (E_RNA) where: Base-Base interactions energy: -1282.418 where: short stacking energy: -533.605 Base-Backbone interact. energy: 1.154 local terms energy: -558.358976 where: bonds (distance) C4'-P energy: -101.296 bonds (distance) P-C4' energy: -100.353 flat angles C4'-P-C4' energy: -113.872 flat angles P-C4'-P energy: -80.148 tors. eta vs tors. theta energy: -162.691 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: 9 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1776.791401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.791401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.791401 (E_RNA) where: Base-Base interactions energy: -1242.885 where: short stacking energy: -501.691 Base-Backbone interact. energy: -1.259 local terms energy: -532.647507 where: bonds (distance) C4'-P energy: -85.019 bonds (distance) P-C4' energy: -102.012 flat angles C4'-P-C4' energy: -115.319 flat angles P-C4'-P energy: -78.680 tors. eta vs tors. theta energy: -151.617 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: 282 Temperature: 1.000000 Total energy: -1715.402227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.402227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.402227 (E_RNA) where: Base-Base interactions energy: -1213.994 where: short stacking energy: -487.024 Base-Backbone interact. energy: -0.087 local terms energy: -501.320352 where: bonds (distance) C4'-P energy: -82.843 bonds (distance) P-C4' energy: -97.062 flat angles C4'-P-C4' energy: -106.914 flat angles P-C4'-P energy: -66.958 tors. eta vs tors. theta energy: -147.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1659.921720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.921720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.921720 (E_RNA) where: Base-Base interactions energy: -1160.972 where: short stacking energy: -461.262 Base-Backbone interact. energy: 3.645 local terms energy: -502.594401 where: bonds (distance) C4'-P energy: -79.895 bonds (distance) P-C4' energy: -86.703 flat angles C4'-P-C4' energy: -101.411 flat angles P-C4'-P energy: -82.535 tors. eta vs tors. theta energy: -152.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -1617.298976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.298976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.298976 (E_RNA) where: Base-Base interactions energy: -1128.085 where: short stacking energy: -468.312 Base-Backbone interact. energy: 0.917 local terms energy: -490.131234 where: bonds (distance) C4'-P energy: -89.705 bonds (distance) P-C4' energy: -84.402 flat angles C4'-P-C4' energy: -104.386 flat angles P-C4'-P energy: -71.409 tors. eta vs tors. theta energy: -140.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1549.769779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.769779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.769779 (E_RNA) where: Base-Base interactions energy: -1080.992 where: short stacking energy: -417.817 Base-Backbone interact. energy: -0.308 local terms energy: -468.469541 where: bonds (distance) C4'-P energy: -72.778 bonds (distance) P-C4' energy: -85.826 flat angles C4'-P-C4' energy: -104.773 flat angles P-C4'-P energy: -73.522 tors. eta vs tors. theta energy: -131.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1302.156861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.156861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.156861 (E_RNA) where: Base-Base interactions energy: -892.507 where: short stacking energy: -371.569 Base-Backbone interact. energy: -0.083 local terms energy: -409.566804 where: bonds (distance) C4'-P energy: -76.641 bonds (distance) P-C4' energy: -91.944 flat angles C4'-P-C4' energy: -83.750 flat angles P-C4'-P energy: -57.990 tors. eta vs tors. theta energy: -99.242 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: 6 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1160.288294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.288294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.288294 (E_RNA) where: Base-Base interactions energy: -769.893 where: short stacking energy: -335.085 Base-Backbone interact. energy: -1.359 local terms energy: -389.036135 where: bonds (distance) C4'-P energy: -65.241 bonds (distance) P-C4' energy: -89.518 flat angles C4'-P-C4' energy: -95.979 flat angles P-C4'-P energy: -60.911 tors. eta vs tors. theta energy: -77.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -1126.753966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.753966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.753966 (E_RNA) where: Base-Base interactions energy: -752.984 where: short stacking energy: -314.322 Base-Backbone interact. energy: -0.199 local terms energy: -373.570989 where: bonds (distance) C4'-P energy: -64.764 bonds (distance) P-C4' energy: -90.556 flat angles C4'-P-C4' energy: -84.332 flat angles P-C4'-P energy: -62.969 tors. eta vs tors. theta energy: -70.950 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: 7 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -718.164068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.164068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.164068 (E_RNA) where: Base-Base interactions energy: -402.189 where: short stacking energy: -181.762 Base-Backbone interact. energy: -1.034 local terms energy: -314.941303 where: bonds (distance) C4'-P energy: -78.145 bonds (distance) P-C4' energy: -85.465 flat angles C4'-P-C4' energy: -88.513 flat angles P-C4'-P energy: -35.211 tors. eta vs tors. theta energy: -27.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1829.041719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.041719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.041719 (E_RNA) where: Base-Base interactions energy: -1275.021 where: short stacking energy: -539.398 Base-Backbone interact. energy: -1.427 local terms energy: -552.594594 where: bonds (distance) C4'-P energy: -101.892 bonds (distance) P-C4' energy: -90.582 flat angles C4'-P-C4' energy: -115.395 flat angles P-C4'-P energy: -76.050 tors. eta vs tors. theta energy: -168.676 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: 283 Temperature: 0.950000 Total energy: -1768.663334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.663334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.663334 (E_RNA) where: Base-Base interactions energy: -1236.895 where: short stacking energy: -493.211 Base-Backbone interact. energy: -0.701 local terms energy: -531.067252 where: bonds (distance) C4'-P energy: -93.012 bonds (distance) P-C4' energy: -96.055 flat angles C4'-P-C4' energy: -112.117 flat angles P-C4'-P energy: -75.770 tors. eta vs tors. theta energy: -154.114 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: 5 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1712.382109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.382109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.382109 (E_RNA) where: Base-Base interactions energy: -1205.178 where: short stacking energy: -483.096 Base-Backbone interact. energy: -1.356 local terms energy: -505.848338 where: bonds (distance) C4'-P energy: -76.972 bonds (distance) P-C4' energy: -103.484 flat angles C4'-P-C4' energy: -108.361 flat angles P-C4'-P energy: -72.661 tors. eta vs tors. theta energy: -144.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1675.708792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.708792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.708792 (E_RNA) where: Base-Base interactions energy: -1165.229 where: short stacking energy: -474.960 Base-Backbone interact. energy: -2.383 local terms energy: -508.096185 where: bonds (distance) C4'-P energy: -87.565 bonds (distance) P-C4' energy: -88.514 flat angles C4'-P-C4' energy: -112.236 flat angles P-C4'-P energy: -67.546 tors. eta vs tors. theta energy: -152.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -1618.319755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.319755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.319755 (E_RNA) where: Base-Base interactions energy: -1157.506 where: short stacking energy: -477.718 Base-Backbone interact. energy: -2.293 local terms energy: -458.519991 where: bonds (distance) C4'-P energy: -76.368 bonds (distance) P-C4' energy: -82.149 flat angles C4'-P-C4' energy: -96.498 flat angles P-C4'-P energy: -66.967 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: 6, replica: 4 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1574.288636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.288636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.288636 (E_RNA) where: Base-Base interactions energy: -1127.536 where: short stacking energy: -446.152 Base-Backbone interact. energy: 0.062 local terms energy: -446.814411 where: bonds (distance) C4'-P energy: -60.543 bonds (distance) P-C4' energy: -79.332 flat angles C4'-P-C4' energy: -100.997 flat angles P-C4'-P energy: -64.953 tors. eta vs tors. theta energy: -140.989 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: 10 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1286.987822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.987822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.987822 (E_RNA) where: Base-Base interactions energy: -838.768 where: short stacking energy: -354.756 Base-Backbone interact. energy: 0.200 local terms energy: -448.419161 where: bonds (distance) C4'-P energy: -85.522 bonds (distance) P-C4' energy: -97.492 flat angles C4'-P-C4' energy: -99.975 flat angles P-C4'-P energy: -62.952 tors. eta vs tors. theta energy: -102.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1115.442356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.442356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.442356 (E_RNA) where: Base-Base interactions energy: -734.240 where: short stacking energy: -295.245 Base-Backbone interact. energy: -1.177 local terms energy: -380.025594 where: bonds (distance) C4'-P energy: -67.779 bonds (distance) P-C4' energy: -97.344 flat angles C4'-P-C4' energy: -88.024 flat angles P-C4'-P energy: -63.760 tors. eta vs tors. theta energy: -63.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -1137.749069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.749069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.749069 (E_RNA) where: Base-Base interactions energy: -764.359 where: short stacking energy: -308.840 Base-Backbone interact. energy: -0.765 local terms energy: -372.625606 where: bonds (distance) C4'-P energy: -86.933 bonds (distance) P-C4' energy: -91.870 flat angles C4'-P-C4' energy: -79.219 flat angles P-C4'-P energy: -44.228 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: 10, replica: 7 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -728.782504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.782504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.782504 (E_RNA) where: Base-Base interactions energy: -431.350 where: short stacking energy: -207.723 Base-Backbone interact. energy: -0.403 local terms energy: -297.029985 where: bonds (distance) C4'-P energy: -68.370 bonds (distance) P-C4' energy: -85.064 flat angles C4'-P-C4' energy: -86.399 flat angles P-C4'-P energy: -25.373 tors. eta vs tors. theta energy: -31.824 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: 1, replica: 9 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -1817.863032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.863032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.863032 (E_RNA) where: Base-Base interactions energy: -1257.963 where: short stacking energy: -511.943 Base-Backbone interact. energy: -1.822 local terms energy: -558.078809 where: bonds (distance) C4'-P energy: -97.114 bonds (distance) P-C4' energy: -105.778 flat angles C4'-P-C4' energy: -114.854 flat angles P-C4'-P energy: -78.912 tors. eta vs tors. theta energy: -161.422 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: 2, replica: 3 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1784.804914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.804914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.804914 (E_RNA) where: Base-Base interactions energy: -1247.319 where: short stacking energy: -525.245 Base-Backbone interact. energy: -2.491 local terms energy: -534.994609 where: bonds (distance) C4'-P energy: -75.911 bonds (distance) P-C4' energy: -95.964 flat angles C4'-P-C4' energy: -117.544 flat angles P-C4'-P energy: -85.521 tors. eta vs tors. theta energy: -160.054 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: 5 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1702.668290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.668290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.668290 (E_RNA) where: Base-Base interactions energy: -1203.211 where: short stacking energy: -469.575 Base-Backbone interact. energy: -0.473 local terms energy: -498.984742 where: bonds (distance) C4'-P energy: -94.034 bonds (distance) P-C4' energy: -80.571 flat angles C4'-P-C4' energy: -110.712 flat angles P-C4'-P energy: -63.769 tors. eta vs tors. theta energy: -149.899 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: 1 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1658.633612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.633612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.633612 (E_RNA) where: Base-Base interactions energy: -1155.973 where: short stacking energy: -468.603 Base-Backbone interact. energy: -1.639 local terms energy: -501.022081 where: bonds (distance) C4'-P energy: -93.549 bonds (distance) P-C4' energy: -79.674 flat angles C4'-P-C4' energy: -106.449 flat angles P-C4'-P energy: -71.408 tors. eta vs tors. theta energy: -149.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -1617.818033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.818033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.818033 (E_RNA) where: Base-Base interactions energy: -1125.462 where: short stacking energy: -446.141 Base-Backbone interact. energy: -0.231 local terms energy: -492.125233 where: bonds (distance) C4'-P energy: -92.231 bonds (distance) P-C4' energy: -91.562 flat angles C4'-P-C4' energy: -107.787 flat angles P-C4'-P energy: -71.772 tors. eta vs tors. theta energy: -128.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1567.378568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.378568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.378568 (E_RNA) where: Base-Base interactions energy: -1102.759 where: short stacking energy: -432.812 Base-Backbone interact. energy: 2.113 local terms energy: -466.732304 where: bonds (distance) C4'-P energy: -91.799 bonds (distance) P-C4' energy: -86.324 flat angles C4'-P-C4' energy: -99.212 flat angles P-C4'-P energy: -62.886 tors. eta vs tors. theta energy: -126.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1278.628199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.628199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.628199 (E_RNA) where: Base-Base interactions energy: -860.613 where: short stacking energy: -366.950 Base-Backbone interact. energy: -1.325 local terms energy: -416.690662 where: bonds (distance) C4'-P energy: -89.210 bonds (distance) P-C4' energy: -80.716 flat angles C4'-P-C4' energy: -95.346 flat angles P-C4'-P energy: -55.394 tors. eta vs tors. theta energy: -96.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1099.022992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.022992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.022992 (E_RNA) where: Base-Base interactions energy: -710.226 where: short stacking energy: -299.955 Base-Backbone interact. energy: -0.978 local terms energy: -387.819893 where: bonds (distance) C4'-P energy: -76.181 bonds (distance) P-C4' energy: -93.429 flat angles C4'-P-C4' energy: -94.165 flat angles P-C4'-P energy: -53.179 tors. eta vs tors. theta energy: -70.867 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: 2 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -1134.990822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.990822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.990822 (E_RNA) where: Base-Base interactions energy: -760.003 where: short stacking energy: -325.885 Base-Backbone interact. energy: -1.062 local terms energy: -373.926158 where: bonds (distance) C4'-P energy: -90.435 bonds (distance) P-C4' energy: -74.867 flat angles C4'-P-C4' energy: -85.081 flat angles P-C4'-P energy: -51.616 tors. eta vs tors. theta energy: -71.928 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: 284 Temperature: 1.350000 Total energy: -706.105518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.105518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.105518 (E_RNA) where: Base-Base interactions energy: -426.543 where: short stacking energy: -199.532 Base-Backbone interact. energy: -2.177 local terms energy: -277.385152 where: bonds (distance) C4'-P energy: -69.853 bonds (distance) P-C4' energy: -75.375 flat angles C4'-P-C4' energy: -72.797 flat angles P-C4'-P energy: -47.671 tors. eta vs tors. theta energy: -11.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1811.055476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.055476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.055476 (E_RNA) where: Base-Base interactions energy: -1262.438 where: short stacking energy: -503.352 Base-Backbone interact. energy: -0.221 local terms energy: -548.396407 where: bonds (distance) C4'-P energy: -104.165 bonds (distance) P-C4' energy: -103.558 flat angles C4'-P-C4' energy: -109.494 flat angles P-C4'-P energy: -82.804 tors. eta vs tors. theta energy: -148.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1797.727632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.727632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.727632 (E_RNA) where: Base-Base interactions energy: -1276.502 where: short stacking energy: -530.475 Base-Backbone interact. energy: 0.833 local terms energy: -522.058280 where: bonds (distance) C4'-P energy: -81.004 bonds (distance) P-C4' energy: -98.302 flat angles C4'-P-C4' energy: -106.800 flat angles P-C4'-P energy: -78.835 tors. eta vs tors. theta energy: -157.116 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: 3, replica: 5 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1694.657024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.657024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.657024 (E_RNA) where: Base-Base interactions energy: -1167.823 where: short stacking energy: -469.873 Base-Backbone interact. energy: -0.753 local terms energy: -526.081337 where: bonds (distance) C4'-P energy: -104.682 bonds (distance) P-C4' energy: -98.280 flat angles C4'-P-C4' energy: -108.043 flat angles P-C4'-P energy: -71.670 tors. eta vs tors. theta energy: -143.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1657.579334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.579334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.579334 (E_RNA) where: Base-Base interactions energy: -1166.134 where: short stacking energy: -492.640 Base-Backbone interact. energy: -0.366 local terms energy: -491.080084 where: bonds (distance) C4'-P energy: -88.221 bonds (distance) P-C4' energy: -80.948 flat angles C4'-P-C4' energy: -105.164 flat angles P-C4'-P energy: -67.899 tors. eta vs tors. theta energy: -148.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -1589.232658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.232658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.232658 (E_RNA) where: Base-Base interactions energy: -1098.253 where: short stacking energy: -454.716 Base-Backbone interact. energy: 0.029 local terms energy: -491.008225 where: bonds (distance) C4'-P energy: -83.477 bonds (distance) P-C4' energy: -96.673 flat angles C4'-P-C4' energy: -96.536 flat angles P-C4'-P energy: -80.908 tors. eta vs tors. theta energy: -133.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1540.167993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.167993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.167993 (E_RNA) where: Base-Base interactions energy: -1074.782 where: short stacking energy: -441.576 Base-Backbone interact. energy: -0.982 local terms energy: -464.404145 where: bonds (distance) C4'-P energy: -69.367 bonds (distance) P-C4' energy: -94.483 flat angles C4'-P-C4' energy: -94.133 flat angles P-C4'-P energy: -65.470 tors. eta vs tors. theta energy: -140.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1298.620310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.620310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.620310 (E_RNA) where: Base-Base interactions energy: -865.455 where: short stacking energy: -375.004 Base-Backbone interact. energy: -0.040 local terms energy: -433.125788 where: bonds (distance) C4'-P energy: -81.166 bonds (distance) P-C4' energy: -82.696 flat angles C4'-P-C4' energy: -98.333 flat angles P-C4'-P energy: -65.353 tors. eta vs tors. theta energy: -105.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1196.078435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.078435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.078435 (E_RNA) where: Base-Base interactions energy: -792.020 where: short stacking energy: -322.150 Base-Backbone interact. energy: -1.453 local terms energy: -402.605482 where: bonds (distance) C4'-P energy: -87.102 bonds (distance) P-C4' energy: -81.648 flat angles C4'-P-C4' energy: -82.292 flat angles P-C4'-P energy: -69.907 tors. eta vs tors. theta energy: -81.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -1046.927637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.927637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.927637 (E_RNA) where: Base-Base interactions energy: -677.532 where: short stacking energy: -277.975 Base-Backbone interact. energy: -1.515 local terms energy: -367.880698 where: bonds (distance) C4'-P energy: -82.104 bonds (distance) P-C4' energy: -87.388 flat angles C4'-P-C4' energy: -80.509 flat angles P-C4'-P energy: -65.566 tors. eta vs tors. theta energy: -52.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -729.251139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.251139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.251139 (E_RNA) where: Base-Base interactions energy: -434.889 where: short stacking energy: -224.245 Base-Backbone interact. energy: 0.052 local terms energy: -294.413343 where: bonds (distance) C4'-P energy: -67.911 bonds (distance) P-C4' energy: -82.770 flat angles C4'-P-C4' energy: -67.187 flat angles P-C4'-P energy: -39.798 tors. eta vs tors. theta energy: -36.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1824.806543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.806543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.806543 (E_RNA) where: Base-Base interactions energy: -1270.408 where: short stacking energy: -514.512 Base-Backbone interact. energy: 1.916 local terms energy: -556.314909 where: bonds (distance) C4'-P energy: -97.734 bonds (distance) P-C4' energy: -98.717 flat angles C4'-P-C4' energy: -117.699 flat angles P-C4'-P energy: -85.840 tors. eta vs tors. theta energy: -156.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1798.811420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.811420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.811420 (E_RNA) where: Base-Base interactions energy: -1247.362 where: short stacking energy: -504.134 Base-Backbone interact. energy: -2.018 local terms energy: -549.431046 where: bonds (distance) C4'-P energy: -102.589 bonds (distance) P-C4' energy: -101.332 flat angles C4'-P-C4' energy: -107.851 flat angles P-C4'-P energy: -76.587 tors. eta vs tors. theta energy: -161.072 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: 5 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1701.524362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.524362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.524362 (E_RNA) where: Base-Base interactions energy: -1187.033 where: short stacking energy: -465.196 Base-Backbone interact. energy: -1.444 local terms energy: -513.047547 where: bonds (distance) C4'-P energy: -92.237 bonds (distance) P-C4' energy: -99.241 flat angles C4'-P-C4' energy: -109.291 flat angles P-C4'-P energy: -66.721 tors. eta vs tors. theta energy: -145.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1652.517430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.517430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.517430 (E_RNA) where: Base-Base interactions energy: -1158.652 where: short stacking energy: -457.963 Base-Backbone interact. energy: 1.993 local terms energy: -495.859076 where: bonds (distance) C4'-P energy: -81.274 bonds (distance) P-C4' energy: -81.098 flat angles C4'-P-C4' energy: -103.948 flat angles P-C4'-P energy: -78.560 tors. eta vs tors. theta energy: -150.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -1585.272263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.272263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.272263 (E_RNA) where: Base-Base interactions energy: -1108.309 where: short stacking energy: -435.328 Base-Backbone interact. energy: -0.973 local terms energy: -475.990024 where: bonds (distance) C4'-P energy: -82.070 bonds (distance) P-C4' energy: -83.669 flat angles C4'-P-C4' energy: -102.292 flat angles P-C4'-P energy: -65.250 tors. eta vs tors. theta energy: -142.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1561.874014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.874014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.874014 (E_RNA) where: Base-Base interactions energy: -1119.705 where: short stacking energy: -438.162 Base-Backbone interact. energy: -0.387 local terms energy: -441.781430 where: bonds (distance) C4'-P energy: -75.987 bonds (distance) P-C4' energy: -89.455 flat angles C4'-P-C4' energy: -91.349 flat angles P-C4'-P energy: -54.870 tors. eta vs tors. theta energy: -130.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1305.072156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.072156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.072156 (E_RNA) where: Base-Base interactions energy: -862.594 where: short stacking energy: -356.537 Base-Backbone interact. energy: -0.461 local terms energy: -442.017328 where: bonds (distance) C4'-P energy: -83.897 bonds (distance) P-C4' energy: -87.832 flat angles C4'-P-C4' energy: -106.373 flat angles P-C4'-P energy: -61.746 tors. eta vs tors. theta energy: -102.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1221.686941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.686941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.686941 (E_RNA) where: Base-Base interactions energy: -848.301 where: short stacking energy: -339.330 Base-Backbone interact. energy: 1.576 local terms energy: -374.961881 where: bonds (distance) C4'-P energy: -76.890 bonds (distance) P-C4' energy: -79.389 flat angles C4'-P-C4' energy: -83.450 flat angles P-C4'-P energy: -47.650 tors. eta vs tors. theta energy: -87.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -1052.656552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.656552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.656552 (E_RNA) where: Base-Base interactions energy: -689.236 where: short stacking energy: -296.560 Base-Backbone interact. energy: 1.123 local terms energy: -364.543284 where: bonds (distance) C4'-P energy: -76.261 bonds (distance) P-C4' energy: -91.572 flat angles C4'-P-C4' energy: -74.221 flat angles P-C4'-P energy: -64.391 tors. eta vs tors. theta energy: -58.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -726.470905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.470905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.470905 (E_RNA) where: Base-Base interactions energy: -427.271 where: short stacking energy: -205.464 Base-Backbone interact. energy: 1.908 local terms energy: -301.107660 where: bonds (distance) C4'-P energy: -70.836 bonds (distance) P-C4' energy: -73.673 flat angles C4'-P-C4' energy: -68.253 flat angles P-C4'-P energy: -57.755 tors. eta vs tors. theta energy: -30.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1834.395151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.395151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.395151 (E_RNA) where: Base-Base interactions energy: -1282.791 where: short stacking energy: -518.394 Base-Backbone interact. energy: -1.553 local terms energy: -550.050968 where: bonds (distance) C4'-P energy: -95.679 bonds (distance) P-C4' energy: -102.658 flat angles C4'-P-C4' energy: -118.495 flat angles P-C4'-P energy: -69.605 tors. eta vs tors. theta energy: -163.614 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: 2, replica: 3 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1817.083180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.083180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.083180 (E_RNA) where: Base-Base interactions energy: -1269.417 where: short stacking energy: -508.333 Base-Backbone interact. energy: -0.765 local terms energy: -546.901652 where: bonds (distance) C4'-P energy: -84.927 bonds (distance) P-C4' energy: -94.437 flat angles C4'-P-C4' energy: -115.632 flat angles P-C4'-P energy: -83.489 tors. eta vs tors. theta energy: -168.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1704.137198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.137198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.137198 (E_RNA) where: Base-Base interactions energy: -1184.925 where: short stacking energy: -471.932 Base-Backbone interact. energy: -2.564 local terms energy: -516.648209 where: bonds (distance) C4'-P energy: -98.247 bonds (distance) P-C4' energy: -75.817 flat angles C4'-P-C4' energy: -114.800 flat angles P-C4'-P energy: -77.897 tors. eta vs tors. theta energy: -149.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1610.203180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.203180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.203180 (E_RNA) where: Base-Base interactions energy: -1132.261 where: short stacking energy: -468.709 Base-Backbone interact. energy: -1.300 local terms energy: -476.641895 where: bonds (distance) C4'-P energy: -80.845 bonds (distance) P-C4' energy: -79.341 flat angles C4'-P-C4' energy: -106.032 flat angles P-C4'-P energy: -71.210 tors. eta vs tors. theta energy: -139.215 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: 1 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1615.028588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.028588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.028588 (E_RNA) where: Base-Base interactions energy: -1134.105 where: short stacking energy: -467.099 Base-Backbone interact. energy: 3.004 local terms energy: -483.927931 where: bonds (distance) C4'-P energy: -81.303 bonds (distance) P-C4' energy: -82.991 flat angles C4'-P-C4' energy: -110.870 flat angles P-C4'-P energy: -60.903 tors. eta vs tors. theta energy: -147.861 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: 8 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1553.470065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.470065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.470065 (E_RNA) where: Base-Base interactions energy: -1106.939 where: short stacking energy: -441.665 Base-Backbone interact. energy: 2.956 local terms energy: -449.487275 where: bonds (distance) C4'-P energy: -84.872 bonds (distance) P-C4' energy: -81.205 flat angles C4'-P-C4' energy: -93.943 flat angles P-C4'-P energy: -59.302 tors. eta vs tors. theta energy: -130.165 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: 10 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1314.720460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.720460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.720460 (E_RNA) where: Base-Base interactions energy: -912.697 where: short stacking energy: -377.202 Base-Backbone interact. energy: -2.258 local terms energy: -399.765920 where: bonds (distance) C4'-P energy: -73.789 bonds (distance) P-C4' energy: -66.889 flat angles C4'-P-C4' energy: -92.871 flat angles P-C4'-P energy: -60.112 tors. eta vs tors. theta energy: -106.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1239.723727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.723727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.723727 (E_RNA) where: Base-Base interactions energy: -830.071 where: short stacking energy: -349.171 Base-Backbone interact. energy: -0.674 local terms energy: -408.978636 where: bonds (distance) C4'-P energy: -81.638 bonds (distance) P-C4' energy: -87.817 flat angles C4'-P-C4' energy: -91.012 flat angles P-C4'-P energy: -52.697 tors. eta vs tors. theta energy: -95.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -1048.180161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.180161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.180161 (E_RNA) where: Base-Base interactions energy: -681.165 where: short stacking energy: -294.013 Base-Backbone interact. energy: -0.218 local terms energy: -366.796691 where: bonds (distance) C4'-P energy: -78.322 bonds (distance) P-C4' energy: -63.945 flat angles C4'-P-C4' energy: -91.272 flat angles P-C4'-P energy: -63.263 tors. eta vs tors. theta energy: -69.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -703.778724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.778724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.778724 (E_RNA) where: Base-Base interactions energy: -414.127 where: short stacking energy: -205.546 Base-Backbone interact. energy: -0.742 local terms energy: -288.910069 where: bonds (distance) C4'-P energy: -76.066 bonds (distance) P-C4' energy: -67.501 flat angles C4'-P-C4' energy: -80.287 flat angles P-C4'-P energy: -42.576 tors. eta vs tors. theta energy: -22.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1824.922162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.922162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.922162 (E_RNA) where: Base-Base interactions energy: -1270.352 where: short stacking energy: -512.179 Base-Backbone interact. energy: 0.013 local terms energy: -554.583430 where: bonds (distance) C4'-P energy: -95.456 bonds (distance) P-C4' energy: -99.076 flat angles C4'-P-C4' energy: -111.325 flat angles P-C4'-P energy: -87.358 tors. eta vs tors. theta energy: -161.369 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: 3 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1798.213562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.213562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.213562 (E_RNA) where: Base-Base interactions energy: -1250.731 where: short stacking energy: -531.269 Base-Backbone interact. energy: -1.129 local terms energy: -546.353115 where: bonds (distance) C4'-P energy: -94.515 bonds (distance) P-C4' energy: -88.031 flat angles C4'-P-C4' energy: -113.654 flat angles P-C4'-P energy: -84.130 tors. eta vs tors. theta energy: -166.023 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: 5 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1697.000365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.000365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.000365 (E_RNA) where: Base-Base interactions energy: -1184.401 where: short stacking energy: -464.069 Base-Backbone interact. energy: -1.787 local terms energy: -510.812281 where: bonds (distance) C4'-P energy: -79.039 bonds (distance) P-C4' energy: -102.174 flat angles C4'-P-C4' energy: -104.745 flat angles P-C4'-P energy: -78.134 tors. eta vs tors. theta energy: -146.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1644.755788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.755788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.755788 (E_RNA) where: Base-Base interactions energy: -1154.097 where: short stacking energy: -470.690 Base-Backbone interact. energy: -0.628 local terms energy: -490.031059 where: bonds (distance) C4'-P energy: -74.501 bonds (distance) P-C4' energy: -102.974 flat angles C4'-P-C4' energy: -104.800 flat angles P-C4'-P energy: -64.077 tors. eta vs tors. theta energy: -143.680 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: 288 Temperature: 1.100000 Total energy: -1597.657587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.657587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.657587 (E_RNA) where: Base-Base interactions energy: -1126.328 where: short stacking energy: -457.786 Base-Backbone interact. energy: -0.397 local terms energy: -470.932869 where: bonds (distance) C4'-P energy: -80.858 bonds (distance) P-C4' energy: -78.949 flat angles C4'-P-C4' energy: -104.352 flat angles P-C4'-P energy: -78.357 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: 6, replica: 1 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1554.051784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.051784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.051784 (E_RNA) where: Base-Base interactions energy: -1091.249 where: short stacking energy: -445.510 Base-Backbone interact. energy: 1.248 local terms energy: -464.051036 where: bonds (distance) C4'-P energy: -85.407 bonds (distance) P-C4' energy: -68.684 flat angles C4'-P-C4' energy: -96.852 flat angles P-C4'-P energy: -83.796 tors. eta vs tors. theta energy: -129.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1342.731500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.731500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.731500 (E_RNA) where: Base-Base interactions energy: -912.376 where: short stacking energy: -377.133 Base-Backbone interact. energy: -1.874 local terms energy: -428.481186 where: bonds (distance) C4'-P energy: -89.688 bonds (distance) P-C4' energy: -75.036 flat angles C4'-P-C4' energy: -85.792 flat angles P-C4'-P energy: -67.680 tors. eta vs tors. theta energy: -110.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1230.974455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.974455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.974455 (E_RNA) where: Base-Base interactions energy: -816.274 where: short stacking energy: -348.307 Base-Backbone interact. energy: 0.554 local terms energy: -415.254340 where: bonds (distance) C4'-P energy: -76.677 bonds (distance) P-C4' energy: -93.035 flat angles C4'-P-C4' energy: -85.171 flat angles P-C4'-P energy: -70.329 tors. eta vs tors. theta energy: -90.042 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: 6 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -1038.575866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.575866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.575866 (E_RNA) where: Base-Base interactions energy: -689.602 where: short stacking energy: -292.560 Base-Backbone interact. energy: 0.320 local terms energy: -349.294049 where: bonds (distance) C4'-P energy: -85.120 bonds (distance) P-C4' energy: -79.766 flat angles C4'-P-C4' energy: -85.083 flat angles P-C4'-P energy: -47.192 tors. eta vs tors. theta energy: -52.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -727.296819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.296819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.296819 (E_RNA) where: Base-Base interactions energy: -411.201 where: short stacking energy: -190.597 Base-Backbone interact. energy: 4.065 local terms energy: -320.160434 where: bonds (distance) C4'-P energy: -77.307 bonds (distance) P-C4' energy: -81.855 flat angles C4'-P-C4' energy: -75.287 flat angles P-C4'-P energy: -52.437 tors. eta vs tors. theta energy: -33.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1816.396821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.396821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.396821 (E_RNA) where: Base-Base interactions energy: -1282.939 where: short stacking energy: -529.836 Base-Backbone interact. energy: -2.703 local terms energy: -530.754805 where: bonds (distance) C4'-P energy: -86.670 bonds (distance) P-C4' energy: -97.453 flat angles C4'-P-C4' energy: -110.604 flat angles P-C4'-P energy: -75.314 tors. eta vs tors. theta energy: -160.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1792.601162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.601162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.601162 (E_RNA) where: Base-Base interactions energy: -1241.712 where: short stacking energy: -514.481 Base-Backbone interact. energy: 1.739 local terms energy: -552.628376 where: bonds (distance) C4'-P energy: -94.434 bonds (distance) P-C4' energy: -99.683 flat angles C4'-P-C4' energy: -111.109 flat angles P-C4'-P energy: -82.630 tors. eta vs tors. theta energy: -164.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -1732.693802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.693802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.693802 (E_RNA) where: Base-Base interactions energy: -1209.651 where: short stacking energy: -481.100 Base-Backbone interact. energy: -1.259 local terms energy: -521.783947 where: bonds (distance) C4'-P energy: -88.830 bonds (distance) P-C4' energy: -89.683 flat angles C4'-P-C4' energy: -114.734 flat angles P-C4'-P energy: -79.191 tors. eta vs tors. theta energy: -149.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1639.368013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.368013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.368013 (E_RNA) where: Base-Base interactions energy: -1143.961 where: short stacking energy: -462.636 Base-Backbone interact. energy: -0.794 local terms energy: -494.612050 where: bonds (distance) C4'-P energy: -91.811 bonds (distance) P-C4' energy: -90.824 flat angles C4'-P-C4' energy: -107.535 flat angles P-C4'-P energy: -62.009 tors. eta vs tors. theta energy: -142.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1575.724605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.724605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.724605 (E_RNA) where: Base-Base interactions energy: -1089.801 where: short stacking energy: -435.289 Base-Backbone interact. energy: -0.538 local terms energy: -485.386004 where: bonds (distance) C4'-P energy: -88.317 bonds (distance) P-C4' energy: -96.214 flat angles C4'-P-C4' energy: -99.482 flat angles P-C4'-P energy: -65.316 tors. eta vs tors. theta energy: -136.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1569.368034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.368034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.368034 (E_RNA) where: Base-Base interactions energy: -1081.350 where: short stacking energy: -433.051 Base-Backbone interact. energy: 1.431 local terms energy: -489.448808 where: bonds (distance) C4'-P energy: -85.592 bonds (distance) P-C4' energy: -95.055 flat angles C4'-P-C4' energy: -108.997 flat angles P-C4'-P energy: -64.402 tors. eta vs tors. theta energy: -135.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1290.537703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.537703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.537703 (E_RNA) where: Base-Base interactions energy: -881.822 where: short stacking energy: -365.070 Base-Backbone interact. energy: 6.017 local terms energy: -414.733316 where: bonds (distance) C4'-P energy: -81.632 bonds (distance) P-C4' energy: -76.914 flat angles C4'-P-C4' energy: -98.418 flat angles P-C4'-P energy: -59.574 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: 8, replica: 2 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1216.744520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.744520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.744520 (E_RNA) where: Base-Base interactions energy: -810.620 where: short stacking energy: -325.810 Base-Backbone interact. energy: -1.065 local terms energy: -405.059712 where: bonds (distance) C4'-P energy: -77.999 bonds (distance) P-C4' energy: -89.807 flat angles C4'-P-C4' energy: -91.155 flat angles P-C4'-P energy: -65.016 tors. eta vs tors. theta energy: -81.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -1083.755179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.755179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.755179 (E_RNA) where: Base-Base interactions energy: -718.872 where: short stacking energy: -309.750 Base-Backbone interact. energy: -1.276 local terms energy: -363.607107 where: bonds (distance) C4'-P energy: -75.726 bonds (distance) P-C4' energy: -85.507 flat angles C4'-P-C4' energy: -74.597 flat angles P-C4'-P energy: -54.389 tors. eta vs tors. theta energy: -73.387 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: 7 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -731.229731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.229731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.229731 (E_RNA) where: Base-Base interactions energy: -408.884 where: short stacking energy: -204.436 Base-Backbone interact. energy: 0.049 local terms energy: -322.394044 where: bonds (distance) C4'-P energy: -68.054 bonds (distance) P-C4' energy: -89.527 flat angles C4'-P-C4' energy: -82.863 flat angles P-C4'-P energy: -39.235 tors. eta vs tors. theta energy: -42.716 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: 290 Temperature: 0.900000 Total energy: -1805.185795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.185795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.185795 (E_RNA) where: Base-Base interactions energy: -1263.138 where: short stacking energy: -515.934 Base-Backbone interact. energy: -1.642 local terms energy: -540.406047 where: bonds (distance) C4'-P energy: -101.553 bonds (distance) P-C4' energy: -100.483 flat angles C4'-P-C4' energy: -102.938 flat angles P-C4'-P energy: -80.605 tors. eta vs tors. theta energy: -154.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1808.357574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.357574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.357574 (E_RNA) where: Base-Base interactions energy: -1263.722 where: short stacking energy: -516.995 Base-Backbone interact. energy: -0.124 local terms energy: -544.511647 where: bonds (distance) C4'-P energy: -90.116 bonds (distance) P-C4' energy: -89.077 flat angles C4'-P-C4' energy: -119.845 flat angles P-C4'-P energy: -79.697 tors. eta vs tors. theta energy: -165.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1656.811144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.811144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.811144 (E_RNA) where: Base-Base interactions energy: -1156.108 where: short stacking energy: -464.567 Base-Backbone interact. energy: -0.606 local terms energy: -500.097467 where: bonds (distance) C4'-P energy: -93.096 bonds (distance) P-C4' energy: -83.510 flat angles C4'-P-C4' energy: -101.473 flat angles P-C4'-P energy: -78.160 tors. eta vs tors. theta energy: -143.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1655.046183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.046183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.046183 (E_RNA) where: Base-Base interactions energy: -1172.541 where: short stacking energy: -472.302 Base-Backbone interact. energy: -0.631 local terms energy: -481.874221 where: bonds (distance) C4'-P energy: -80.007 bonds (distance) P-C4' energy: -98.712 flat angles C4'-P-C4' energy: -103.146 flat angles P-C4'-P energy: -61.291 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: 5, replica: 1 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1605.610692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.610692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.610692 (E_RNA) where: Base-Base interactions energy: -1127.772 where: short stacking energy: -466.196 Base-Backbone interact. energy: -1.709 local terms energy: -476.129796 where: bonds (distance) C4'-P energy: -78.593 bonds (distance) P-C4' energy: -89.461 flat angles C4'-P-C4' energy: -100.795 flat angles P-C4'-P energy: -63.092 tors. eta vs tors. theta energy: -144.188 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: 8 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1567.011591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.011591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.011591 (E_RNA) where: Base-Base interactions energy: -1085.256 where: short stacking energy: -447.437 Base-Backbone interact. energy: -2.124 local terms energy: -479.631533 where: bonds (distance) C4'-P energy: -68.119 bonds (distance) P-C4' energy: -103.455 flat angles C4'-P-C4' energy: -105.609 flat angles P-C4'-P energy: -70.572 tors. eta vs tors. theta energy: -131.877 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: 10 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1284.900319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.900319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.900319 (E_RNA) where: Base-Base interactions energy: -863.192 where: short stacking energy: -376.402 Base-Backbone interact. energy: -1.111 local terms energy: -420.597830 where: bonds (distance) C4'-P energy: -80.017 bonds (distance) P-C4' energy: -75.752 flat angles C4'-P-C4' energy: -92.981 flat angles P-C4'-P energy: -65.439 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: 8, replica: 2 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1227.176544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.176544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.176544 (E_RNA) where: Base-Base interactions energy: -815.562 where: short stacking energy: -357.610 Base-Backbone interact. energy: -0.306 local terms energy: -411.307597 where: bonds (distance) C4'-P energy: -80.997 bonds (distance) P-C4' energy: -76.810 flat angles C4'-P-C4' energy: -80.533 flat angles P-C4'-P energy: -66.090 tors. eta vs tors. theta energy: -106.878 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: 6 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -1079.320408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.320408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.320408 (E_RNA) where: Base-Base interactions energy: -714.791 where: short stacking energy: -301.489 Base-Backbone interact. energy: 0.348 local terms energy: -364.877720 where: bonds (distance) C4'-P energy: -74.016 bonds (distance) P-C4' energy: -76.848 flat angles C4'-P-C4' energy: -85.675 flat angles P-C4'-P energy: -65.214 tors. eta vs tors. theta energy: -63.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -734.038879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.038879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.038879 (E_RNA) where: Base-Base interactions energy: -424.781 where: short stacking energy: -207.334 Base-Backbone interact. energy: -1.639 local terms energy: -307.618842 where: bonds (distance) C4'-P energy: -64.716 bonds (distance) P-C4' energy: -98.488 flat angles C4'-P-C4' energy: -80.958 flat angles P-C4'-P energy: -33.020 tors. eta vs tors. theta energy: -30.436 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: 1, replica: 9 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1805.255099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.255099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.255099 (E_RNA) where: Base-Base interactions energy: -1262.616 where: short stacking energy: -497.289 Base-Backbone interact. energy: -1.434 local terms energy: -541.205806 where: bonds (distance) C4'-P energy: -92.674 bonds (distance) P-C4' energy: -94.469 flat angles C4'-P-C4' energy: -110.256 flat angles P-C4'-P energy: -87.232 tors. eta vs tors. theta energy: -156.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1795.936208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.936208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.936208 (E_RNA) where: Base-Base interactions energy: -1259.901 where: short stacking energy: -522.320 Base-Backbone interact. energy: -0.634 local terms energy: -535.401652 where: bonds (distance) C4'-P energy: -98.762 bonds (distance) P-C4' energy: -86.832 flat angles C4'-P-C4' energy: -108.357 flat angles P-C4'-P energy: -82.386 tors. eta vs tors. theta energy: -159.065 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: 4 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1684.509153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.509153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.509153 (E_RNA) where: Base-Base interactions energy: -1207.235 where: short stacking energy: -480.708 Base-Backbone interact. energy: -2.066 local terms energy: -475.207927 where: bonds (distance) C4'-P energy: -78.495 bonds (distance) P-C4' energy: -89.463 flat angles C4'-P-C4' energy: -99.230 flat angles P-C4'-P energy: -61.244 tors. eta vs tors. theta energy: -146.776 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: 1 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1629.586383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.586383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.586383 (E_RNA) where: Base-Base interactions energy: -1123.434 where: short stacking energy: -442.040 Base-Backbone interact. energy: -2.019 local terms energy: -504.132726 where: bonds (distance) C4'-P energy: -91.994 bonds (distance) P-C4' energy: -97.559 flat angles C4'-P-C4' energy: -104.887 flat angles P-C4'-P energy: -70.499 tors. eta vs tors. theta energy: -139.194 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: 5 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1659.373303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.373303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.373303 (E_RNA) where: Base-Base interactions energy: -1173.159 where: short stacking energy: -474.402 Base-Backbone interact. energy: -0.950 local terms energy: -485.264156 where: bonds (distance) C4'-P energy: -89.490 bonds (distance) P-C4' energy: -78.885 flat angles C4'-P-C4' energy: -107.479 flat angles P-C4'-P energy: -65.088 tors. eta vs tors. theta energy: -144.323 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: 8 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1546.690764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.690764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.690764 (E_RNA) where: Base-Base interactions energy: -1073.432 where: short stacking energy: -450.615 Base-Backbone interact. energy: -0.413 local terms energy: -472.844892 where: bonds (distance) C4'-P energy: -83.158 bonds (distance) P-C4' energy: -92.098 flat angles C4'-P-C4' energy: -97.321 flat angles P-C4'-P energy: -59.158 tors. eta vs tors. theta energy: -141.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1329.878868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.878868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.878868 (E_RNA) where: Base-Base interactions energy: -885.755 where: short stacking energy: -369.719 Base-Backbone interact. energy: 0.733 local terms energy: -444.856282 where: bonds (distance) C4'-P energy: -93.935 bonds (distance) P-C4' energy: -92.093 flat angles C4'-P-C4' energy: -85.486 flat angles P-C4'-P energy: -66.277 tors. eta vs tors. theta energy: -107.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1237.373217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.373217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.373217 (E_RNA) where: Base-Base interactions energy: -837.177 where: short stacking energy: -372.204 Base-Backbone interact. energy: -0.773 local terms energy: -399.422922 where: bonds (distance) C4'-P energy: -84.499 bonds (distance) P-C4' energy: -71.536 flat angles C4'-P-C4' energy: -95.774 flat angles P-C4'-P energy: -52.319 tors. eta vs tors. theta energy: -95.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -1082.592420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.592420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.592420 (E_RNA) where: Base-Base interactions energy: -687.120 where: short stacking energy: -286.978 Base-Backbone interact. energy: -2.978 local terms energy: -392.494953 where: bonds (distance) C4'-P energy: -91.532 bonds (distance) P-C4' energy: -94.413 flat angles C4'-P-C4' energy: -74.723 flat angles P-C4'-P energy: -54.363 tors. eta vs tors. theta energy: -77.464 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: 7 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -749.972757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.972757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.972757 (E_RNA) where: Base-Base interactions energy: -414.251 where: short stacking energy: -198.816 Base-Backbone interact. energy: -1.899 local terms energy: -333.823295 where: bonds (distance) C4'-P energy: -79.755 bonds (distance) P-C4' energy: -85.873 flat angles C4'-P-C4' energy: -77.931 flat angles P-C4'-P energy: -52.587 tors. eta vs tors. theta energy: -37.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1808.443913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.443913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.443913 (E_RNA) where: Base-Base interactions energy: -1246.665 where: short stacking energy: -510.380 Base-Backbone interact. energy: -0.638 local terms energy: -561.141482 where: bonds (distance) C4'-P energy: -103.115 bonds (distance) P-C4' energy: -104.289 flat angles C4'-P-C4' energy: -111.462 flat angles P-C4'-P energy: -82.177 tors. eta vs tors. theta energy: -160.099 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: 3 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1794.524056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.524056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.524056 (E_RNA) where: Base-Base interactions energy: -1244.890 where: short stacking energy: -521.489 Base-Backbone interact. energy: -1.501 local terms energy: -548.132591 where: bonds (distance) C4'-P energy: -98.475 bonds (distance) P-C4' energy: -91.095 flat angles C4'-P-C4' energy: -115.724 flat angles P-C4'-P energy: -78.685 tors. eta vs tors. theta energy: -164.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1734.217173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.217173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.217173 (E_RNA) where: Base-Base interactions energy: -1248.849 where: short stacking energy: -494.108 Base-Backbone interact. energy: 1.456 local terms energy: -486.823722 where: bonds (distance) C4'-P energy: -82.628 bonds (distance) P-C4' energy: -94.376 flat angles C4'-P-C4' energy: -99.253 flat angles P-C4'-P energy: -67.449 tors. eta vs tors. theta energy: -143.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1640.794471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.794471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.794471 (E_RNA) where: Base-Base interactions energy: -1141.297 where: short stacking energy: -453.451 Base-Backbone interact. energy: -1.354 local terms energy: -498.142730 where: bonds (distance) C4'-P energy: -86.200 bonds (distance) P-C4' energy: -82.182 flat angles C4'-P-C4' energy: -115.036 flat angles P-C4'-P energy: -66.029 tors. eta vs tors. theta energy: -148.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -1656.452998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.452998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.452998 (E_RNA) where: Base-Base interactions energy: -1144.128 where: short stacking energy: -445.704 Base-Backbone interact. energy: 0.026 local terms energy: -512.350901 where: bonds (distance) C4'-P energy: -95.133 bonds (distance) P-C4' energy: -101.244 flat angles C4'-P-C4' energy: -107.607 flat angles P-C4'-P energy: -64.377 tors. eta vs tors. theta energy: -143.989 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: 8 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1548.391424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.391424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.391424 (E_RNA) where: Base-Base interactions energy: -1101.124 where: short stacking energy: -459.046 Base-Backbone interact. energy: -2.372 local terms energy: -444.895084 where: bonds (distance) C4'-P energy: -77.053 bonds (distance) P-C4' energy: -59.942 flat angles C4'-P-C4' energy: -105.149 flat angles P-C4'-P energy: -60.681 tors. eta vs tors. theta energy: -142.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1337.211620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.211620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.211620 (E_RNA) where: Base-Base interactions energy: -900.870 where: short stacking energy: -370.921 Base-Backbone interact. energy: -0.269 local terms energy: -436.072086 where: bonds (distance) C4'-P energy: -81.579 bonds (distance) P-C4' energy: -88.241 flat angles C4'-P-C4' energy: -107.688 flat angles P-C4'-P energy: -61.424 tors. eta vs tors. theta energy: -97.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1296.687254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.687254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.687254 (E_RNA) where: Base-Base interactions energy: -871.213 where: short stacking energy: -354.618 Base-Backbone interact. energy: 3.899 local terms energy: -429.372909 where: bonds (distance) C4'-P energy: -87.510 bonds (distance) P-C4' energy: -97.023 flat angles C4'-P-C4' energy: -95.647 flat angles P-C4'-P energy: -58.474 tors. eta vs tors. theta energy: -90.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -1038.603843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.603843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.603843 (E_RNA) where: Base-Base interactions energy: -674.764 where: short stacking energy: -278.533 Base-Backbone interact. energy: -2.741 local terms energy: -361.098290 where: bonds (distance) C4'-P energy: -75.875 bonds (distance) P-C4' energy: -67.394 flat angles C4'-P-C4' energy: -82.929 flat angles P-C4'-P energy: -59.024 tors. eta vs tors. theta energy: -75.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -733.426416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.426416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.426416 (E_RNA) where: Base-Base interactions energy: -411.454 where: short stacking energy: -202.109 Base-Backbone interact. energy: -1.122 local terms energy: -320.851139 where: bonds (distance) C4'-P energy: -85.593 bonds (distance) P-C4' energy: -92.453 flat angles C4'-P-C4' energy: -68.508 flat angles P-C4'-P energy: -54.322 tors. eta vs tors. theta energy: -19.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1814.645573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.645573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.645573 (E_RNA) where: Base-Base interactions energy: -1265.217 where: short stacking energy: -506.397 Base-Backbone interact. energy: -1.773 local terms energy: -547.655595 where: bonds (distance) C4'-P energy: -102.113 bonds (distance) P-C4' energy: -100.540 flat angles C4'-P-C4' energy: -112.087 flat angles P-C4'-P energy: -84.291 tors. eta vs tors. theta energy: -148.624 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: 2, replica: 3 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1803.770125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.770125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.770125 (E_RNA) where: Base-Base interactions energy: -1242.116 where: short stacking energy: -504.887 Base-Backbone interact. energy: -0.926 local terms energy: -560.728660 where: bonds (distance) C4'-P energy: -96.624 bonds (distance) P-C4' energy: -111.389 flat angles C4'-P-C4' energy: -116.375 flat angles P-C4'-P energy: -78.518 tors. eta vs tors. theta energy: -157.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1715.038361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.038361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.038361 (E_RNA) where: Base-Base interactions energy: -1231.596 where: short stacking energy: -509.457 Base-Backbone interact. energy: 0.254 local terms energy: -483.696346 where: bonds (distance) C4'-P energy: -79.773 bonds (distance) P-C4' energy: -82.562 flat angles C4'-P-C4' energy: -106.013 flat angles P-C4'-P energy: -70.998 tors. eta vs tors. theta energy: -144.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1643.595671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.595671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.595671 (E_RNA) where: Base-Base interactions energy: -1144.201 where: short stacking energy: -471.158 Base-Backbone interact. energy: -0.064 local terms energy: -499.330702 where: bonds (distance) C4'-P energy: -86.094 bonds (distance) P-C4' energy: -93.060 flat angles C4'-P-C4' energy: -104.099 flat angles P-C4'-P energy: -76.691 tors. eta vs tors. theta energy: -139.388 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: 5 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -1614.706851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.706851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.706851 (E_RNA) where: Base-Base interactions energy: -1117.169 where: short stacking energy: -456.090 Base-Backbone interact. energy: -0.758 local terms energy: -496.779945 where: bonds (distance) C4'-P energy: -96.976 bonds (distance) P-C4' energy: -93.544 flat angles C4'-P-C4' energy: -99.196 flat angles P-C4'-P energy: -68.064 tors. eta vs tors. theta energy: -139.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1365.721271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.721271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.721271 (E_RNA) where: Base-Base interactions energy: -913.798 where: short stacking energy: -412.655 Base-Backbone interact. energy: 0.082 local terms energy: -452.005347 where: bonds (distance) C4'-P energy: -77.953 bonds (distance) P-C4' energy: -85.031 flat angles C4'-P-C4' energy: -100.997 flat angles P-C4'-P energy: -60.589 tors. eta vs tors. theta energy: -127.435 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: 8 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1473.688858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.688858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.688858 (E_RNA) where: Base-Base interactions energy: -1021.209 where: short stacking energy: -424.531 Base-Backbone interact. energy: -0.275 local terms energy: -452.204690 where: bonds (distance) C4'-P energy: -92.435 bonds (distance) P-C4' energy: -71.853 flat angles C4'-P-C4' energy: -99.864 flat angles P-C4'-P energy: -59.250 tors. eta vs tors. theta energy: -128.802 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: 2 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1298.371419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.371419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.371419 (E_RNA) where: Base-Base interactions energy: -878.965 where: short stacking energy: -367.321 Base-Backbone interact. energy: -0.919 local terms energy: -418.487234 where: bonds (distance) C4'-P energy: -69.663 bonds (distance) P-C4' energy: -91.652 flat angles C4'-P-C4' energy: -92.530 flat angles P-C4'-P energy: -55.129 tors. eta vs tors. theta energy: -109.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -1004.987388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.987388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.987388 (E_RNA) where: Base-Base interactions energy: -660.446 where: short stacking energy: -276.229 Base-Backbone interact. energy: 0.630 local terms energy: -345.170986 where: bonds (distance) C4'-P energy: -86.916 bonds (distance) P-C4' energy: -73.657 flat angles C4'-P-C4' energy: -85.014 flat angles P-C4'-P energy: -49.392 tors. eta vs tors. theta energy: -50.192 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: 293 Temperature: 1.350000 Total energy: -759.000431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.000431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.000431 (E_RNA) where: Base-Base interactions energy: -432.597 where: short stacking energy: -195.177 Base-Backbone interact. energy: -0.251 local terms energy: -326.151618 where: bonds (distance) C4'-P energy: -91.253 bonds (distance) P-C4' energy: -82.000 flat angles C4'-P-C4' energy: -79.766 flat angles P-C4'-P energy: -44.555 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: 1, replica: 3 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1823.143822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.143822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.143822 (E_RNA) where: Base-Base interactions energy: -1266.178 where: short stacking energy: -533.091 Base-Backbone interact. energy: 0.428 local terms energy: -557.394071 where: bonds (distance) C4'-P energy: -103.634 bonds (distance) P-C4' energy: -100.514 flat angles C4'-P-C4' energy: -121.313 flat angles P-C4'-P energy: -69.914 tors. eta vs tors. theta energy: -162.020 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: 294 Temperature: 0.950000 Total energy: -1800.866975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.866975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.866975 (E_RNA) where: Base-Base interactions energy: -1250.777 where: short stacking energy: -517.270 Base-Backbone interact. energy: -0.589 local terms energy: -549.500659 where: bonds (distance) C4'-P energy: -88.949 bonds (distance) P-C4' energy: -103.493 flat angles C4'-P-C4' energy: -120.173 flat angles P-C4'-P energy: -79.319 tors. eta vs tors. theta energy: -157.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1708.341443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.341443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.341443 (E_RNA) where: Base-Base interactions energy: -1191.453 where: short stacking energy: -474.085 Base-Backbone interact. energy: -3.306 local terms energy: -513.582833 where: bonds (distance) C4'-P energy: -86.617 bonds (distance) P-C4' energy: -92.507 flat angles C4'-P-C4' energy: -112.224 flat angles P-C4'-P energy: -76.398 tors. eta vs tors. theta energy: -145.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1654.330547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.330547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.330547 (E_RNA) where: Base-Base interactions energy: -1143.357 where: short stacking energy: -467.914 Base-Backbone interact. energy: -1.352 local terms energy: -509.621540 where: bonds (distance) C4'-P energy: -94.276 bonds (distance) P-C4' energy: -96.605 flat angles C4'-P-C4' energy: -102.438 flat angles P-C4'-P energy: -70.935 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: 5, replica: 5 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -1628.513547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.513547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.513547 (E_RNA) where: Base-Base interactions energy: -1147.142 where: short stacking energy: -471.116 Base-Backbone interact. energy: -0.835 local terms energy: -480.536244 where: bonds (distance) C4'-P energy: -84.910 bonds (distance) P-C4' energy: -83.074 flat angles C4'-P-C4' energy: -108.770 flat angles P-C4'-P energy: -65.486 tors. eta vs tors. theta energy: -138.296 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: 10 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -1337.066626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.066626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.066626 (E_RNA) where: Base-Base interactions energy: -899.867 where: short stacking energy: -385.096 Base-Backbone interact. energy: 1.199 local terms energy: -438.398779 where: bonds (distance) C4'-P energy: -70.244 bonds (distance) P-C4' energy: -90.591 flat angles C4'-P-C4' energy: -94.467 flat angles P-C4'-P energy: -65.053 tors. eta vs tors. theta energy: -118.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1505.500373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.500373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.500373 (E_RNA) where: Base-Base interactions energy: -1052.167 where: short stacking energy: -425.660 Base-Backbone interact. energy: 0.226 local terms energy: -453.559167 where: bonds (distance) C4'-P energy: -70.790 bonds (distance) P-C4' energy: -78.966 flat angles C4'-P-C4' energy: -89.725 flat angles P-C4'-P energy: -74.576 tors. eta vs tors. theta energy: -139.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1310.841554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.841554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.841554 (E_RNA) where: Base-Base interactions energy: -902.538 where: short stacking energy: -381.277 Base-Backbone interact. energy: -0.479 local terms energy: -407.824966 where: bonds (distance) C4'-P energy: -74.632 bonds (distance) P-C4' energy: -82.285 flat angles C4'-P-C4' energy: -92.982 flat angles P-C4'-P energy: -54.819 tors. eta vs tors. theta energy: -103.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -1030.278474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.278474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.278474 (E_RNA) where: Base-Base interactions energy: -666.189 where: short stacking energy: -284.512 Base-Backbone interact. energy: -3.032 local terms energy: -361.057001 where: bonds (distance) C4'-P energy: -85.375 bonds (distance) P-C4' energy: -69.218 flat angles C4'-P-C4' energy: -88.572 flat angles P-C4'-P energy: -48.025 tors. eta vs tors. theta energy: -69.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -722.607796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.607796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.607796 (E_RNA) where: Base-Base interactions energy: -431.195 where: short stacking energy: -202.935 Base-Backbone interact. energy: 1.169 local terms energy: -292.582141 where: bonds (distance) C4'-P energy: -65.690 bonds (distance) P-C4' energy: -81.404 flat angles C4'-P-C4' energy: -69.444 flat angles P-C4'-P energy: -49.739 tors. eta vs tors. theta energy: -26.305 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: 3 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1824.985707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.985707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.985707 (E_RNA) where: Base-Base interactions energy: -1274.341 where: short stacking energy: -523.172 Base-Backbone interact. energy: -0.674 local terms energy: -549.970349 where: bonds (distance) C4'-P energy: -97.344 bonds (distance) P-C4' energy: -88.141 flat angles C4'-P-C4' energy: -111.987 flat angles P-C4'-P energy: -89.119 tors. eta vs tors. theta energy: -163.380 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: 9 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1769.449973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.449973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.449973 (E_RNA) where: Base-Base interactions energy: -1250.320 where: short stacking energy: -518.215 Base-Backbone interact. energy: -1.016 local terms energy: -518.114056 where: bonds (distance) C4'-P energy: -88.989 bonds (distance) P-C4' energy: -97.747 flat angles C4'-P-C4' energy: -113.154 flat angles P-C4'-P energy: -67.599 tors. eta vs tors. theta energy: -150.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1713.962856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.962856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.962856 (E_RNA) where: Base-Base interactions energy: -1190.756 where: short stacking energy: -478.291 Base-Backbone interact. energy: -2.318 local terms energy: -520.889535 where: bonds (distance) C4'-P energy: -90.701 bonds (distance) P-C4' energy: -92.082 flat angles C4'-P-C4' energy: -107.476 flat angles P-C4'-P energy: -77.843 tors. eta vs tors. theta energy: -152.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1641.511338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.511338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.511338 (E_RNA) where: Base-Base interactions energy: -1121.225 where: short stacking energy: -452.791 Base-Backbone interact. energy: -1.589 local terms energy: -518.698202 where: bonds (distance) C4'-P energy: -94.223 bonds (distance) P-C4' energy: -97.999 flat angles C4'-P-C4' energy: -107.904 flat angles P-C4'-P energy: -76.867 tors. eta vs tors. theta energy: -141.705 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: 5 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -1650.371827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.371827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.371827 (E_RNA) where: Base-Base interactions energy: -1162.881 where: short stacking energy: -453.993 Base-Backbone interact. energy: -1.295 local terms energy: -486.195822 where: bonds (distance) C4'-P energy: -74.661 bonds (distance) P-C4' energy: -86.987 flat angles C4'-P-C4' energy: -101.298 flat angles P-C4'-P energy: -74.770 tors. eta vs tors. theta energy: -148.480 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: 295 Temperature: 1.150000 Total energy: -1515.298710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.298710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.298710 (E_RNA) where: Base-Base interactions energy: -1055.787 where: short stacking energy: -445.419 Base-Backbone interact. energy: -0.072 local terms energy: -459.439778 where: bonds (distance) C4'-P energy: -82.920 bonds (distance) P-C4' energy: -75.169 flat angles C4'-P-C4' energy: -102.216 flat angles P-C4'-P energy: -65.161 tors. eta vs tors. theta energy: -133.973 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: 7, replica: 10 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1289.247122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.247122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.247122 (E_RNA) where: Base-Base interactions energy: -866.205 where: short stacking energy: -382.684 Base-Backbone interact. energy: 0.635 local terms energy: -423.677637 where: bonds (distance) C4'-P energy: -91.666 bonds (distance) P-C4' energy: -97.848 flat angles C4'-P-C4' energy: -80.041 flat angles P-C4'-P energy: -51.818 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: 8, replica: 2 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1327.554122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.554122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.554122 (E_RNA) where: Base-Base interactions energy: -912.970 where: short stacking energy: -363.561 Base-Backbone interact. energy: -1.737 local terms energy: -412.847909 where: bonds (distance) C4'-P energy: -91.540 bonds (distance) P-C4' energy: -71.448 flat angles C4'-P-C4' energy: -95.501 flat angles P-C4'-P energy: -53.454 tors. eta vs tors. theta energy: -100.904 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: 6 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -1095.747491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.747491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.747491 (E_RNA) where: Base-Base interactions energy: -730.821 where: short stacking energy: -300.416 Base-Backbone interact. energy: -1.095 local terms energy: -363.831000 where: bonds (distance) C4'-P energy: -76.018 bonds (distance) P-C4' energy: -82.404 flat angles C4'-P-C4' energy: -86.425 flat angles P-C4'-P energy: -49.659 tors. eta vs tors. theta energy: -69.325 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: 10, replica: 7 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -762.432216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.432216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.432216 (E_RNA) where: Base-Base interactions energy: -454.650 where: short stacking energy: -202.253 Base-Backbone interact. energy: -0.867 local terms energy: -306.915165 where: bonds (distance) C4'-P energy: -73.031 bonds (distance) P-C4' energy: -84.892 flat angles C4'-P-C4' energy: -85.043 flat angles P-C4'-P energy: -36.943 tors. eta vs tors. theta energy: -27.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1834.396141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.396141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.396141 (E_RNA) where: Base-Base interactions energy: -1280.970 where: short stacking energy: -532.595 Base-Backbone interact. energy: 0.476 local terms energy: -553.902024 where: bonds (distance) C4'-P energy: -96.587 bonds (distance) P-C4' energy: -102.627 flat angles C4'-P-C4' energy: -106.086 flat angles P-C4'-P energy: -78.501 tors. eta vs tors. theta energy: -170.102 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: 296 Temperature: 0.950000 Total energy: -1792.909703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.909703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.909703 (E_RNA) where: Base-Base interactions energy: -1254.506 where: short stacking energy: -514.198 Base-Backbone interact. energy: -0.880 local terms energy: -537.523609 where: bonds (distance) C4'-P energy: -91.444 bonds (distance) P-C4' energy: -97.921 flat angles C4'-P-C4' energy: -104.423 flat angles P-C4'-P energy: -85.998 tors. eta vs tors. theta energy: -157.737 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: 1 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1692.650297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.650297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.650297 (E_RNA) where: Base-Base interactions energy: -1177.746 where: short stacking energy: -472.967 Base-Backbone interact. energy: 1.262 local terms energy: -516.166720 where: bonds (distance) C4'-P energy: -81.460 bonds (distance) P-C4' energy: -101.448 flat angles C4'-P-C4' energy: -99.318 flat angles P-C4'-P energy: -87.001 tors. eta vs tors. theta energy: -146.940 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: 4 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1736.465740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.465740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.465740 (E_RNA) where: Base-Base interactions energy: -1230.603 where: short stacking energy: -499.765 Base-Backbone interact. energy: 1.176 local terms energy: -507.038239 where: bonds (distance) C4'-P energy: -87.921 bonds (distance) P-C4' energy: -96.294 flat angles C4'-P-C4' energy: -102.363 flat angles P-C4'-P energy: -70.726 tors. eta vs tors. theta energy: -149.735 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: 5, replica: 5 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -1610.924310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.924310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.924310 (E_RNA) where: Base-Base interactions energy: -1142.383 where: short stacking energy: -452.164 Base-Backbone interact. energy: -0.691 local terms energy: -467.850507 where: bonds (distance) C4'-P energy: -73.967 bonds (distance) P-C4' energy: -90.071 flat angles C4'-P-C4' energy: -99.556 flat angles P-C4'-P energy: -70.368 tors. eta vs tors. theta energy: -133.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -1534.680925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.680925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.680925 (E_RNA) where: Base-Base interactions energy: -1066.928 where: short stacking energy: -418.300 Base-Backbone interact. energy: -0.899 local terms energy: -466.854118 where: bonds (distance) C4'-P energy: -78.815 bonds (distance) P-C4' energy: -88.986 flat angles C4'-P-C4' energy: -104.752 flat angles P-C4'-P energy: -66.728 tors. eta vs tors. theta energy: -127.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1333.125661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.125661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.125661 (E_RNA) where: Base-Base interactions energy: -917.661 where: short stacking energy: -392.497 Base-Backbone interact. energy: -0.509 local terms energy: -414.955922 where: bonds (distance) C4'-P energy: -64.317 bonds (distance) P-C4' energy: -74.654 flat angles C4'-P-C4' energy: -105.102 flat angles P-C4'-P energy: -62.319 tors. eta vs tors. theta energy: -108.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1296.654708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.654708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.654708 (E_RNA) where: Base-Base interactions energy: -882.084 where: short stacking energy: -342.769 Base-Backbone interact. energy: 6.118 local terms energy: -420.688105 where: bonds (distance) C4'-P energy: -85.586 bonds (distance) P-C4' energy: -80.450 flat angles C4'-P-C4' energy: -87.948 flat angles P-C4'-P energy: -68.599 tors. eta vs tors. theta energy: -98.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -1056.236080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.236080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.236080 (E_RNA) where: Base-Base interactions energy: -693.986 where: short stacking energy: -293.813 Base-Backbone interact. energy: -1.105 local terms energy: -361.145101 where: bonds (distance) C4'-P energy: -83.908 bonds (distance) P-C4' energy: -87.454 flat angles C4'-P-C4' energy: -83.186 flat angles P-C4'-P energy: -40.637 tors. eta vs tors. theta energy: -65.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -783.079235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.079235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.079235 (E_RNA) where: Base-Base interactions energy: -455.835 where: short stacking energy: -214.290 Base-Backbone interact. energy: 0.699 local terms energy: -327.943618 where: bonds (distance) C4'-P energy: -80.616 bonds (distance) P-C4' energy: -77.934 flat angles C4'-P-C4' energy: -83.607 flat angles P-C4'-P energy: -44.096 tors. eta vs tors. theta energy: -41.692 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: 1, replica: 3 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1828.303764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.303764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.303764 (E_RNA) where: Base-Base interactions energy: -1281.243 where: short stacking energy: -536.281 Base-Backbone interact. energy: -1.197 local terms energy: -545.863522 where: bonds (distance) C4'-P energy: -100.563 bonds (distance) P-C4' energy: -94.128 flat angles C4'-P-C4' energy: -111.110 flat angles P-C4'-P energy: -77.471 tors. eta vs tors. theta energy: -162.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1775.505650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.505650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.505650 (E_RNA) where: Base-Base interactions energy: -1274.533 where: short stacking energy: -517.619 Base-Backbone interact. energy: -1.096 local terms energy: -499.876810 where: bonds (distance) C4'-P energy: -71.973 bonds (distance) P-C4' energy: -92.796 flat angles C4'-P-C4' energy: -105.779 flat angles P-C4'-P energy: -82.565 tors. eta vs tors. theta energy: -146.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -1729.779877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.779877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.779877 (E_RNA) where: Base-Base interactions energy: -1209.395 where: short stacking energy: -497.373 Base-Backbone interact. energy: -2.400 local terms energy: -517.984271 where: bonds (distance) C4'-P energy: -84.900 bonds (distance) P-C4' energy: -92.210 flat angles C4'-P-C4' energy: -112.391 flat angles P-C4'-P energy: -73.559 tors. eta vs tors. theta energy: -154.925 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: 4 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1700.243588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.243588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.243588 (E_RNA) where: Base-Base interactions energy: -1206.763 where: short stacking energy: -474.957 Base-Backbone interact. energy: 3.680 local terms energy: -497.160058 where: bonds (distance) C4'-P energy: -94.925 bonds (distance) P-C4' energy: -87.996 flat angles C4'-P-C4' energy: -99.449 flat angles P-C4'-P energy: -64.553 tors. eta vs tors. theta energy: -150.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -1640.247052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.247052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.247052 (E_RNA) where: Base-Base interactions energy: -1161.277 where: short stacking energy: -457.146 Base-Backbone interact. energy: -1.327 local terms energy: -477.642207 where: bonds (distance) C4'-P energy: -76.965 bonds (distance) P-C4' energy: -78.382 flat angles C4'-P-C4' energy: -107.166 flat angles P-C4'-P energy: -69.959 tors. eta vs tors. theta energy: -145.170 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: 8 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -1532.564501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.564501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.564501 (E_RNA) where: Base-Base interactions energy: -1070.728 where: short stacking energy: -450.069 Base-Backbone interact. energy: -0.464 local terms energy: -461.371774 where: bonds (distance) C4'-P energy: -83.860 bonds (distance) P-C4' energy: -87.278 flat angles C4'-P-C4' energy: -92.707 flat angles P-C4'-P energy: -66.792 tors. eta vs tors. theta energy: -130.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1308.200749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.200749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.200749 (E_RNA) where: Base-Base interactions energy: -880.750 where: short stacking energy: -357.153 Base-Backbone interact. energy: -2.502 local terms energy: -424.948393 where: bonds (distance) C4'-P energy: -84.472 bonds (distance) P-C4' energy: -76.029 flat angles C4'-P-C4' energy: -93.168 flat angles P-C4'-P energy: -64.478 tors. eta vs tors. theta energy: -106.802 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: 2 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1271.822449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.822449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.822449 (E_RNA) where: Base-Base interactions energy: -852.221 where: short stacking energy: -345.575 Base-Backbone interact. energy: -1.661 local terms energy: -417.941008 where: bonds (distance) C4'-P energy: -82.317 bonds (distance) P-C4' energy: -82.934 flat angles C4'-P-C4' energy: -87.275 flat angles P-C4'-P energy: -70.860 tors. eta vs tors. theta energy: -94.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -1053.488142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.488142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.488142 (E_RNA) where: Base-Base interactions energy: -693.515 where: short stacking energy: -308.876 Base-Backbone interact. energy: 8.605 local terms energy: -368.578289 where: bonds (distance) C4'-P energy: -91.898 bonds (distance) P-C4' energy: -72.987 flat angles C4'-P-C4' energy: -87.109 flat angles P-C4'-P energy: -51.819 tors. eta vs tors. theta energy: -64.765 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: 297 Temperature: 1.350000 Total energy: -804.760128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.760128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.760128 (E_RNA) where: Base-Base interactions energy: -490.366 where: short stacking energy: -226.764 Base-Backbone interact. energy: -1.390 local terms energy: -313.004375 where: bonds (distance) C4'-P energy: -72.980 bonds (distance) P-C4' energy: -73.971 flat angles C4'-P-C4' energy: -79.796 flat angles P-C4'-P energy: -54.105 tors. eta vs tors. theta energy: -32.152 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: 9 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1786.113150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.113150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.113150 (E_RNA) where: Base-Base interactions energy: -1252.631 where: short stacking energy: -503.790 Base-Backbone interact. energy: 0.429 local terms energy: -533.910303 where: bonds (distance) C4'-P energy: -98.000 bonds (distance) P-C4' energy: -96.662 flat angles C4'-P-C4' energy: -113.188 flat angles P-C4'-P energy: -76.340 tors. eta vs tors. theta energy: -149.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1797.668864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.668864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.668864 (E_RNA) where: Base-Base interactions energy: -1267.476 where: short stacking energy: -530.958 Base-Backbone interact. energy: -0.841 local terms energy: -529.351988 where: bonds (distance) C4'-P energy: -77.410 bonds (distance) P-C4' energy: -104.346 flat angles C4'-P-C4' energy: -111.158 flat angles P-C4'-P energy: -77.106 tors. eta vs tors. theta energy: -159.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1716.479113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.479113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.479113 (E_RNA) where: Base-Base interactions energy: -1214.882 where: short stacking energy: -496.251 Base-Backbone interact. energy: -0.548 local terms energy: -501.048443 where: bonds (distance) C4'-P energy: -90.067 bonds (distance) P-C4' energy: -95.875 flat angles C4'-P-C4' energy: -105.160 flat angles P-C4'-P energy: -64.651 tors. eta vs tors. theta energy: -145.295 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: 1 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -1699.809581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.809581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.809581 (E_RNA) where: Base-Base interactions energy: -1195.793 where: short stacking energy: -483.037 Base-Backbone interact. energy: -2.956 local terms energy: -501.060411 where: bonds (distance) C4'-P energy: -76.102 bonds (distance) P-C4' energy: -91.738 flat angles C4'-P-C4' energy: -115.377 flat angles P-C4'-P energy: -66.834 tors. eta vs tors. theta energy: -151.010 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: 5 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -1634.902067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.902067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.902067 (E_RNA) where: Base-Base interactions energy: -1154.224 where: short stacking energy: -457.578 Base-Backbone interact. energy: -0.994 local terms energy: -479.684335 where: bonds (distance) C4'-P energy: -89.128 bonds (distance) P-C4' energy: -82.896 flat angles C4'-P-C4' energy: -108.585 flat angles P-C4'-P energy: -63.296 tors. eta vs tors. theta energy: -135.779 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: 298 Temperature: 1.150000 Total energy: -1502.372453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.372453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.372453 (E_RNA) where: Base-Base interactions energy: -1035.498 where: short stacking energy: -435.022 Base-Backbone interact. energy: -0.993 local terms energy: -465.881479 where: bonds (distance) C4'-P energy: -90.730 bonds (distance) P-C4' energy: -74.571 flat angles C4'-P-C4' energy: -97.951 flat angles P-C4'-P energy: -65.386 tors. eta vs tors. theta energy: -137.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1320.193522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.193522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.193522 (E_RNA) where: Base-Base interactions energy: -916.619 where: short stacking energy: -392.650 Base-Backbone interact. energy: -0.231 local terms energy: -403.344160 where: bonds (distance) C4'-P energy: -57.421 bonds (distance) P-C4' energy: -94.872 flat angles C4'-P-C4' energy: -89.089 flat angles P-C4'-P energy: -46.885 tors. eta vs tors. theta energy: -115.078 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: 8, replica: 2 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1264.268687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.268687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.268687 (E_RNA) where: Base-Base interactions energy: -844.011 where: short stacking energy: -361.271 Base-Backbone interact. energy: -1.033 local terms energy: -419.224371 where: bonds (distance) C4'-P energy: -85.390 bonds (distance) P-C4' energy: -86.583 flat angles C4'-P-C4' energy: -88.797 flat angles P-C4'-P energy: -61.255 tors. eta vs tors. theta energy: -97.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -1006.916355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.916355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.916355 (E_RNA) where: Base-Base interactions energy: -652.191 where: short stacking energy: -279.653 Base-Backbone interact. energy: -1.664 local terms energy: -353.060830 where: bonds (distance) C4'-P energy: -87.476 bonds (distance) P-C4' energy: -73.985 flat angles C4'-P-C4' energy: -86.881 flat angles P-C4'-P energy: -45.979 tors. eta vs tors. theta energy: -58.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -769.873345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.873345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.873345 (E_RNA) where: Base-Base interactions energy: -482.986 where: short stacking energy: -195.039 Base-Backbone interact. energy: 4.262 local terms energy: -291.149662 where: bonds (distance) C4'-P energy: -79.968 bonds (distance) P-C4' energy: -66.288 flat angles C4'-P-C4' energy: -70.360 flat angles P-C4'-P energy: -41.525 tors. eta vs tors. theta energy: -33.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1811.768441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.768441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.768441 (E_RNA) where: Base-Base interactions energy: -1260.130 where: short stacking energy: -500.368 Base-Backbone interact. energy: -3.598 local terms energy: -548.039757 where: bonds (distance) C4'-P energy: -104.755 bonds (distance) P-C4' energy: -108.249 flat angles C4'-P-C4' energy: -109.004 flat angles P-C4'-P energy: -75.863 tors. eta vs tors. theta energy: -150.169 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: 3 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1812.521547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.521547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.521547 (E_RNA) where: Base-Base interactions energy: -1268.903 where: short stacking energy: -535.543 Base-Backbone interact. energy: 0.884 local terms energy: -544.501997 where: bonds (distance) C4'-P energy: -86.410 bonds (distance) P-C4' energy: -91.344 flat angles C4'-P-C4' energy: -116.965 flat angles P-C4'-P energy: -80.253 tors. eta vs tors. theta energy: -169.531 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: 4 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1731.963157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.963157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.963157 (E_RNA) where: Base-Base interactions energy: -1239.434 where: short stacking energy: -485.206 Base-Backbone interact. energy: 0.325 local terms energy: -492.854574 where: bonds (distance) C4'-P energy: -84.271 bonds (distance) P-C4' energy: -85.674 flat angles C4'-P-C4' energy: -99.892 flat angles P-C4'-P energy: -78.275 tors. eta vs tors. theta energy: -144.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -1648.401704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.401704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.401704 (E_RNA) where: Base-Base interactions energy: -1144.174 where: short stacking energy: -461.513 Base-Backbone interact. energy: 1.660 local terms energy: -505.887966 where: bonds (distance) C4'-P energy: -99.562 bonds (distance) P-C4' energy: -82.496 flat angles C4'-P-C4' energy: -108.024 flat angles P-C4'-P energy: -75.722 tors. eta vs tors. theta energy: -140.084 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: 1 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -1615.967828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.967828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.967828 (E_RNA) where: Base-Base interactions energy: -1134.251 where: short stacking energy: -469.409 Base-Backbone interact. energy: 2.184 local terms energy: -483.900148 where: bonds (distance) C4'-P energy: -83.766 bonds (distance) P-C4' energy: -79.019 flat angles C4'-P-C4' energy: -99.497 flat angles P-C4'-P energy: -74.004 tors. eta vs tors. theta energy: -147.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -1512.437833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.437833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.437833 (E_RNA) where: Base-Base interactions energy: -1054.850 where: short stacking energy: -423.926 Base-Backbone interact. energy: -0.671 local terms energy: -456.917647 where: bonds (distance) C4'-P energy: -83.415 bonds (distance) P-C4' energy: -81.647 flat angles C4'-P-C4' energy: -97.602 flat angles P-C4'-P energy: -67.960 tors. eta vs tors. theta energy: -126.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1312.428069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.428069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.428069 (E_RNA) where: Base-Base interactions energy: -863.191 where: short stacking energy: -346.787 Base-Backbone interact. energy: -1.327 local terms energy: -447.910263 where: bonds (distance) C4'-P energy: -79.552 bonds (distance) P-C4' energy: -90.777 flat angles C4'-P-C4' energy: -102.978 flat angles P-C4'-P energy: -66.321 tors. eta vs tors. theta energy: -108.283 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: 2 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1273.488204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.488204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.488204 (E_RNA) where: Base-Base interactions energy: -864.048 where: short stacking energy: -353.019 Base-Backbone interact. energy: -0.353 local terms energy: -409.087260 where: bonds (distance) C4'-P energy: -83.982 bonds (distance) P-C4' energy: -82.699 flat angles C4'-P-C4' energy: -99.971 flat angles P-C4'-P energy: -43.796 tors. eta vs tors. theta energy: -98.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -1076.467055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.467055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.467055 (E_RNA) where: Base-Base interactions energy: -699.125 where: short stacking energy: -304.193 Base-Backbone interact. energy: -0.327 local terms energy: -377.015222 where: bonds (distance) C4'-P energy: -80.180 bonds (distance) P-C4' energy: -77.691 flat angles C4'-P-C4' energy: -107.524 flat angles P-C4'-P energy: -40.767 tors. eta vs tors. theta energy: -70.853 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: 7 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -748.096174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.096174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.096174 (E_RNA) where: Base-Base interactions energy: -442.536 where: short stacking energy: -180.809 Base-Backbone interact. energy: 3.208 local terms energy: -308.768108 where: bonds (distance) C4'-P energy: -75.212 bonds (distance) P-C4' energy: -81.953 flat angles C4'-P-C4' energy: -72.789 flat angles P-C4'-P energy: -47.305 tors. eta vs tors. theta energy: -31.510 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: 1, replica: 3 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1831.878377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.878377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.878377 (E_RNA) where: Base-Base interactions energy: -1282.131 where: short stacking energy: -551.414 Base-Backbone interact. energy: -0.998 local terms energy: -548.748862 where: bonds (distance) C4'-P energy: -90.873 bonds (distance) P-C4' energy: -100.034 flat angles C4'-P-C4' energy: -111.395 flat angles P-C4'-P energy: -78.584 tors. eta vs tors. theta energy: -167.863 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: 9 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1800.484310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.484310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.484310 (E_RNA) where: Base-Base interactions energy: -1251.488 where: short stacking energy: -507.730 Base-Backbone interact. energy: -1.307 local terms energy: -547.689719 where: bonds (distance) C4'-P energy: -101.395 bonds (distance) P-C4' energy: -90.608 flat angles C4'-P-C4' energy: -112.203 flat angles P-C4'-P energy: -83.857 tors. eta vs tors. theta energy: -159.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -1718.999692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.999692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.999692 (E_RNA) where: Base-Base interactions energy: -1208.120 where: short stacking energy: -472.573 Base-Backbone interact. energy: -2.311 local terms energy: -508.569359 where: bonds (distance) C4'-P energy: -91.465 bonds (distance) P-C4' energy: -84.098 flat angles C4'-P-C4' energy: -110.574 flat angles P-C4'-P energy: -73.476 tors. eta vs tors. theta energy: -148.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1653.136409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.136409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.136409 (E_RNA) where: Base-Base interactions energy: -1175.619 where: short stacking energy: -492.908 Base-Backbone interact. energy: -1.170 local terms energy: -476.347150 where: bonds (distance) C4'-P energy: -87.507 bonds (distance) P-C4' energy: -86.788 flat angles C4'-P-C4' energy: -94.751 flat angles P-C4'-P energy: -61.754 tors. eta vs tors. theta energy: -145.547 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: 1 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1620.393561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.393561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.393561 (E_RNA) where: Base-Base interactions energy: -1121.708 where: short stacking energy: -455.114 Base-Backbone interact. energy: 0.573 local terms energy: -499.258334 where: bonds (distance) C4'-P energy: -79.132 bonds (distance) P-C4' energy: -98.002 flat angles C4'-P-C4' energy: -99.580 flat angles P-C4'-P energy: -73.966 tors. eta vs tors. theta energy: -148.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -1481.915833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.915833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.915833 (E_RNA) where: Base-Base interactions energy: -1026.019 where: short stacking energy: -423.711 Base-Backbone interact. energy: 1.255 local terms energy: -457.152190 where: bonds (distance) C4'-P energy: -84.293 bonds (distance) P-C4' energy: -97.375 flat angles C4'-P-C4' energy: -95.499 flat angles P-C4'-P energy: -70.163 tors. eta vs tors. theta energy: -109.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1327.282269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.282269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.282269 (E_RNA) where: Base-Base interactions energy: -872.706 where: short stacking energy: -385.932 Base-Backbone interact. energy: -0.654 local terms energy: -453.922228 where: bonds (distance) C4'-P energy: -98.799 bonds (distance) P-C4' energy: -78.051 flat angles C4'-P-C4' energy: -100.472 flat angles P-C4'-P energy: -67.488 tors. eta vs tors. theta energy: -109.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1264.312912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.312912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.312912 (E_RNA) where: Base-Base interactions energy: -839.489 where: short stacking energy: -366.198 Base-Backbone interact. energy: -1.256 local terms energy: -423.567731 where: bonds (distance) C4'-P energy: -74.819 bonds (distance) P-C4' energy: -87.789 flat angles C4'-P-C4' energy: -92.971 flat angles P-C4'-P energy: -61.369 tors. eta vs tors. theta energy: -106.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -1018.539845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.539845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.539845 (E_RNA) where: Base-Base interactions energy: -667.084 where: short stacking energy: -298.202 Base-Backbone interact. energy: 0.962 local terms energy: -352.417746 where: bonds (distance) C4'-P energy: -80.843 bonds (distance) P-C4' energy: -78.926 flat angles C4'-P-C4' energy: -66.886 flat angles P-C4'-P energy: -53.067 tors. eta vs tors. theta energy: -72.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -645.770007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.770007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.770007 (E_RNA) where: Base-Base interactions energy: -337.169 where: short stacking energy: -164.402 Base-Backbone interact. energy: -1.256 local terms energy: -307.344871 where: bonds (distance) C4'-P energy: -86.771 bonds (distance) P-C4' energy: -65.272 flat angles C4'-P-C4' energy: -75.373 flat angles P-C4'-P energy: -53.251 tors. eta vs tors. theta energy: -26.679 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: 3 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1826.344599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.344599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.344599 (E_RNA) where: Base-Base interactions energy: -1273.824 where: short stacking energy: -526.404 Base-Backbone interact. energy: -0.321 local terms energy: -552.199592 where: bonds (distance) C4'-P energy: -103.111 bonds (distance) P-C4' energy: -96.299 flat angles C4'-P-C4' energy: -111.114 flat angles P-C4'-P energy: -77.537 tors. eta vs tors. theta energy: -164.138 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: 9 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1789.542674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.542674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.542674 (E_RNA) where: Base-Base interactions energy: -1259.917 where: short stacking energy: -507.431 Base-Backbone interact. energy: 0.611 local terms energy: -530.236716 where: bonds (distance) C4'-P energy: -89.240 bonds (distance) P-C4' energy: -87.767 flat angles C4'-P-C4' energy: -111.788 flat angles P-C4'-P energy: -85.010 tors. eta vs tors. theta energy: -156.432 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: 3, replica: 4 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1749.859320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.859320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.859320 (E_RNA) where: Base-Base interactions energy: -1241.752 where: short stacking energy: -499.388 Base-Backbone interact. energy: -1.873 local terms energy: -506.234733 where: bonds (distance) C4'-P energy: -92.253 bonds (distance) P-C4' energy: -77.885 flat angles C4'-P-C4' energy: -111.830 flat angles P-C4'-P energy: -73.273 tors. eta vs tors. theta energy: -150.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1653.355195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.355195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.355195 (E_RNA) where: Base-Base interactions energy: -1159.790 where: short stacking energy: -469.425 Base-Backbone interact. energy: -0.234 local terms energy: -493.330746 where: bonds (distance) C4'-P energy: -97.967 bonds (distance) P-C4' energy: -80.814 flat angles C4'-P-C4' energy: -100.358 flat angles P-C4'-P energy: -73.246 tors. eta vs tors. theta energy: -140.946 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: 1 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -1617.828864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.828864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.828864 (E_RNA) where: Base-Base interactions energy: -1121.350 where: short stacking energy: -468.065 Base-Backbone interact. energy: 0.132 local terms energy: -496.610932 where: bonds (distance) C4'-P energy: -87.055 bonds (distance) P-C4' energy: -97.217 flat angles C4'-P-C4' energy: -92.036 flat angles P-C4'-P energy: -72.912 tors. eta vs tors. theta energy: -147.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1489.727154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.727154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.727154 (E_RNA) where: Base-Base interactions energy: -1021.918 where: short stacking energy: -428.558 Base-Backbone interact. energy: -1.286 local terms energy: -466.523243 where: bonds (distance) C4'-P energy: -80.619 bonds (distance) P-C4' energy: -94.622 flat angles C4'-P-C4' energy: -103.393 flat angles P-C4'-P energy: -65.490 tors. eta vs tors. theta energy: -122.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1312.626127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.626127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.626127 (E_RNA) where: Base-Base interactions energy: -891.318 where: short stacking energy: -380.878 Base-Backbone interact. energy: 0.273 local terms energy: -421.580381 where: bonds (distance) C4'-P energy: -93.848 bonds (distance) P-C4' energy: -67.376 flat angles C4'-P-C4' energy: -102.207 flat angles P-C4'-P energy: -49.005 tors. eta vs tors. theta energy: -109.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1270.514776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.514776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.514776 (E_RNA) where: Base-Base interactions energy: -859.057 where: short stacking energy: -351.078 Base-Backbone interact. energy: 0.445 local terms energy: -411.902696 where: bonds (distance) C4'-P energy: -84.030 bonds (distance) P-C4' energy: -74.630 flat angles C4'-P-C4' energy: -90.175 flat angles P-C4'-P energy: -64.799 tors. eta vs tors. theta energy: -98.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -1053.167360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.167360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.167360 (E_RNA) where: Base-Base interactions energy: -678.008 where: short stacking energy: -283.188 Base-Backbone interact. energy: 2.095 local terms energy: -377.254141 where: bonds (distance) C4'-P energy: -85.266 bonds (distance) P-C4' energy: -87.371 flat angles C4'-P-C4' energy: -82.824 flat angles P-C4'-P energy: -62.860 tors. eta vs tors. theta energy: -58.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -602.406736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.406736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.406736 (E_RNA) where: Base-Base interactions energy: -314.194 where: short stacking energy: -167.380 Base-Backbone interact. energy: 1.797 local terms energy: -290.009583 where: bonds (distance) C4'-P energy: -74.675 bonds (distance) P-C4' energy: -75.614 flat angles C4'-P-C4' energy: -73.829 flat angles P-C4'-P energy: -56.638 tors. eta vs tors. theta energy: -9.253 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: 1, replica: 3 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1825.220506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.220506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.220506 (E_RNA) where: Base-Base interactions energy: -1284.104 where: short stacking energy: -531.799 Base-Backbone interact. energy: -1.215 local terms energy: -539.901581 where: bonds (distance) C4'-P energy: -85.183 bonds (distance) P-C4' energy: -90.862 flat angles C4'-P-C4' energy: -110.018 flat angles P-C4'-P energy: -89.028 tors. eta vs tors. theta energy: -164.810 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: 2, replica: 9 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1793.336155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.336155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.336155 (E_RNA) where: Base-Base interactions energy: -1255.437 where: short stacking energy: -499.143 Base-Backbone interact. energy: -1.335 local terms energy: -536.563688 where: bonds (distance) C4'-P energy: -98.913 bonds (distance) P-C4' energy: -92.936 flat angles C4'-P-C4' energy: -102.728 flat angles P-C4'-P energy: -87.748 tors. eta vs tors. theta energy: -154.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -1748.797870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.797870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.797870 (E_RNA) where: Base-Base interactions energy: -1224.868 where: short stacking energy: -508.702 Base-Backbone interact. energy: 2.396 local terms energy: -526.325773 where: bonds (distance) C4'-P energy: -93.392 bonds (distance) P-C4' energy: -90.911 flat angles C4'-P-C4' energy: -110.199 flat angles P-C4'-P energy: -74.898 tors. eta vs tors. theta energy: -156.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1643.453515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.453515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.453515 (E_RNA) where: Base-Base interactions energy: -1138.661 where: short stacking energy: -463.574 Base-Backbone interact. energy: -3.036 local terms energy: -501.756442 where: bonds (distance) C4'-P energy: -86.394 bonds (distance) P-C4' energy: -101.593 flat angles C4'-P-C4' energy: -99.721 flat angles P-C4'-P energy: -74.739 tors. eta vs tors. theta energy: -139.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1618.899407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.899407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.899407 (E_RNA) where: Base-Base interactions energy: -1123.369 where: short stacking energy: -461.035 Base-Backbone interact. energy: -1.037 local terms energy: -494.492789 where: bonds (distance) C4'-P energy: -82.465 bonds (distance) P-C4' energy: -101.486 flat angles C4'-P-C4' energy: -104.921 flat angles P-C4'-P energy: -67.037 tors. eta vs tors. theta energy: -138.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -1517.111132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.111132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.111132 (E_RNA) where: Base-Base interactions energy: -1067.565 where: short stacking energy: -437.195 Base-Backbone interact. energy: -1.217 local terms energy: -448.328552 where: bonds (distance) C4'-P energy: -86.646 bonds (distance) P-C4' energy: -82.572 flat angles C4'-P-C4' energy: -91.602 flat angles P-C4'-P energy: -59.030 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: 7, replica: 10 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1317.035120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.035120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.035120 (E_RNA) where: Base-Base interactions energy: -883.430 where: short stacking energy: -385.298 Base-Backbone interact. energy: 0.208 local terms energy: -433.812673 where: bonds (distance) C4'-P energy: -75.141 bonds (distance) P-C4' energy: -88.854 flat angles C4'-P-C4' energy: -96.034 flat angles P-C4'-P energy: -63.951 tors. eta vs tors. theta energy: -109.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1300.520286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.520286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.520286 (E_RNA) where: Base-Base interactions energy: -907.192 where: short stacking energy: -364.956 Base-Backbone interact. energy: 0.065 local terms energy: -393.392852 where: bonds (distance) C4'-P energy: -78.452 bonds (distance) P-C4' energy: -90.702 flat angles C4'-P-C4' energy: -81.272 flat angles P-C4'-P energy: -55.032 tors. eta vs tors. theta energy: -87.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -1051.476146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.476146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.476146 (E_RNA) where: Base-Base interactions energy: -696.070 where: short stacking energy: -301.803 Base-Backbone interact. energy: -1.210 local terms energy: -354.195916 where: bonds (distance) C4'-P energy: -69.325 bonds (distance) P-C4' energy: -68.500 flat angles C4'-P-C4' energy: -92.425 flat angles P-C4'-P energy: -54.543 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: 10, replica: 7 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -598.831365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.831365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.831365 (E_RNA) where: Base-Base interactions energy: -302.823 where: short stacking energy: -137.276 Base-Backbone interact. energy: -5.205 local terms energy: -290.803316 where: bonds (distance) C4'-P energy: -66.978 bonds (distance) P-C4' energy: -95.566 flat angles C4'-P-C4' energy: -66.173 flat angles P-C4'-P energy: -40.541 tors. eta vs tors. theta energy: -21.545 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: 3 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1844.242892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.242892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.242892 (E_RNA) where: Base-Base interactions energy: -1282.046 where: short stacking energy: -529.439 Base-Backbone interact. energy: -0.288 local terms energy: -561.908793 where: bonds (distance) C4'-P energy: -94.419 bonds (distance) P-C4' energy: -95.305 flat angles C4'-P-C4' energy: -121.331 flat angles P-C4'-P energy: -85.388 tors. eta vs tors. theta energy: -165.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1810.838324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.838324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.838324 (E_RNA) where: Base-Base interactions energy: -1262.867 where: short stacking energy: -505.288 Base-Backbone interact. energy: 1.817 local terms energy: -549.788210 where: bonds (distance) C4'-P energy: -103.272 bonds (distance) P-C4' energy: -96.905 flat angles C4'-P-C4' energy: -114.552 flat angles P-C4'-P energy: -78.843 tors. eta vs tors. theta energy: -156.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -1730.394639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.394639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.394639 (E_RNA) where: Base-Base interactions energy: -1210.898 where: short stacking energy: -485.009 Base-Backbone interact. energy: -0.611 local terms energy: -518.885613 where: bonds (distance) C4'-P energy: -85.284 bonds (distance) P-C4' energy: -97.768 flat angles C4'-P-C4' energy: -106.477 flat angles P-C4'-P energy: -83.899 tors. eta vs tors. theta energy: -145.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1672.179987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.179987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.179987 (E_RNA) where: Base-Base interactions energy: -1157.272 where: short stacking energy: -472.395 Base-Backbone interact. energy: -1.501 local terms energy: -513.407781 where: bonds (distance) C4'-P energy: -92.760 bonds (distance) P-C4' energy: -90.064 flat angles C4'-P-C4' energy: -109.059 flat angles P-C4'-P energy: -68.925 tors. eta vs tors. theta energy: -152.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -1557.365969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.365969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.365969 (E_RNA) where: Base-Base interactions energy: -1098.037 where: short stacking energy: -440.200 Base-Backbone interact. energy: -0.490 local terms energy: -458.839536 where: bonds (distance) C4'-P energy: -77.257 bonds (distance) P-C4' energy: -77.815 flat angles C4'-P-C4' energy: -101.725 flat angles P-C4'-P energy: -65.002 tors. eta vs tors. theta energy: -137.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1468.915432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.915432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.915432 (E_RNA) where: Base-Base interactions energy: -1037.136 where: short stacking energy: -426.426 Base-Backbone interact. energy: -0.901 local terms energy: -430.878431 where: bonds (distance) C4'-P energy: -73.319 bonds (distance) P-C4' energy: -81.655 flat angles C4'-P-C4' energy: -92.718 flat angles P-C4'-P energy: -61.043 tors. eta vs tors. theta energy: -122.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1287.716755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.716755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.716755 (E_RNA) where: Base-Base interactions energy: -863.689 where: short stacking energy: -354.651 Base-Backbone interact. energy: 0.021 local terms energy: -424.048347 where: bonds (distance) C4'-P energy: -78.986 bonds (distance) P-C4' energy: -85.596 flat angles C4'-P-C4' energy: -93.824 flat angles P-C4'-P energy: -69.793 tors. eta vs tors. theta energy: -95.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1269.034208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.034208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.034208 (E_RNA) where: Base-Base interactions energy: -853.849 where: short stacking energy: -349.675 Base-Backbone interact. energy: -0.920 local terms energy: -414.264642 where: bonds (distance) C4'-P energy: -73.208 bonds (distance) P-C4' energy: -87.442 flat angles C4'-P-C4' energy: -86.899 flat angles P-C4'-P energy: -72.098 tors. eta vs tors. theta energy: -94.617 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: 6 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -1020.262270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.262270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.262270 (E_RNA) where: Base-Base interactions energy: -671.470 where: short stacking energy: -289.854 Base-Backbone interact. energy: -2.344 local terms energy: -346.448129 where: bonds (distance) C4'-P energy: -76.995 bonds (distance) P-C4' energy: -81.305 flat angles C4'-P-C4' energy: -73.821 flat angles P-C4'-P energy: -51.731 tors. eta vs tors. theta energy: -62.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -646.810310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.810310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.810310 (E_RNA) where: Base-Base interactions energy: -369.820 where: short stacking energy: -211.539 Base-Backbone interact. energy: 1.155 local terms energy: -278.146131 where: bonds (distance) C4'-P energy: -66.019 bonds (distance) P-C4' energy: -73.782 flat angles C4'-P-C4' energy: -73.588 flat angles P-C4'-P energy: -31.184 tors. eta vs tors. theta energy: -33.574 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: 3 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1829.083587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.083587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.083587 (E_RNA) where: Base-Base interactions energy: -1269.164 where: short stacking energy: -529.665 Base-Backbone interact. energy: 0.189 local terms energy: -560.108046 where: bonds (distance) C4'-P energy: -92.688 bonds (distance) P-C4' energy: -105.172 flat angles C4'-P-C4' energy: -112.368 flat angles P-C4'-P energy: -83.682 tors. eta vs tors. theta energy: -166.197 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: 9 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1803.243682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.243682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.243682 (E_RNA) where: Base-Base interactions energy: -1270.133 where: short stacking energy: -507.378 Base-Backbone interact. energy: -0.417 local terms energy: -532.693809 where: bonds (distance) C4'-P energy: -93.584 bonds (distance) P-C4' energy: -94.014 flat angles C4'-P-C4' energy: -109.731 flat angles P-C4'-P energy: -76.887 tors. eta vs tors. theta energy: -158.477 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: 4 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1745.829510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.829510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.829510 (E_RNA) where: Base-Base interactions energy: -1241.302 where: short stacking energy: -496.615 Base-Backbone interact. energy: -1.155 local terms energy: -503.372540 where: bonds (distance) C4'-P energy: -75.397 bonds (distance) P-C4' energy: -81.610 flat angles C4'-P-C4' energy: -112.081 flat angles P-C4'-P energy: -82.345 tors. eta vs tors. theta energy: -151.940 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: 1 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -1658.994940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.994940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.994940 (E_RNA) where: Base-Base interactions energy: -1150.887 where: short stacking energy: -478.075 Base-Backbone interact. energy: -0.688 local terms energy: -507.420535 where: bonds (distance) C4'-P energy: -86.630 bonds (distance) P-C4' energy: -96.337 flat angles C4'-P-C4' energy: -99.129 flat angles P-C4'-P energy: -72.635 tors. eta vs tors. theta energy: -152.689 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: 5 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -1533.713337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.713337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.713337 (E_RNA) where: Base-Base interactions energy: -1082.779 where: short stacking energy: -421.789 Base-Backbone interact. energy: 0.921 local terms energy: -451.855816 where: bonds (distance) C4'-P energy: -75.907 bonds (distance) P-C4' energy: -89.335 flat angles C4'-P-C4' energy: -98.495 flat angles P-C4'-P energy: -62.100 tors. eta vs tors. theta energy: -126.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1537.732245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.732245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.732245 (E_RNA) where: Base-Base interactions energy: -1092.565 where: short stacking energy: -451.071 Base-Backbone interact. energy: -1.015 local terms energy: -444.151705 where: bonds (distance) C4'-P energy: -76.569 bonds (distance) P-C4' energy: -70.338 flat angles C4'-P-C4' energy: -102.189 flat angles P-C4'-P energy: -58.896 tors. eta vs tors. theta energy: -136.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1310.036193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.036193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.036193 (E_RNA) where: Base-Base interactions energy: -905.178 where: short stacking energy: -366.550 Base-Backbone interact. energy: -2.035 local terms energy: -402.822926 where: bonds (distance) C4'-P energy: -79.649 bonds (distance) P-C4' energy: -67.303 flat angles C4'-P-C4' energy: -97.293 flat angles P-C4'-P energy: -63.444 tors. eta vs tors. theta energy: -95.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1290.058640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.058640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.058640 (E_RNA) where: Base-Base interactions energy: -860.075 where: short stacking energy: -372.304 Base-Backbone interact. energy: -0.614 local terms energy: -429.369726 where: bonds (distance) C4'-P energy: -96.966 bonds (distance) P-C4' energy: -83.757 flat angles C4'-P-C4' energy: -92.333 flat angles P-C4'-P energy: -53.607 tors. eta vs tors. theta energy: -102.707 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: 6 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -1032.743056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.743056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.743056 (E_RNA) where: Base-Base interactions energy: -655.673 where: short stacking energy: -284.949 Base-Backbone interact. energy: 3.193 local terms energy: -380.262763 where: bonds (distance) C4'-P energy: -75.351 bonds (distance) P-C4' energy: -86.794 flat angles C4'-P-C4' energy: -94.025 flat angles P-C4'-P energy: -53.640 tors. eta vs tors. theta energy: -70.453 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: 7 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -616.124710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.124710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.124710 (E_RNA) where: Base-Base interactions energy: -337.314 where: short stacking energy: -176.390 Base-Backbone interact. energy: -0.238 local terms energy: -278.573286 where: bonds (distance) C4'-P energy: -69.225 bonds (distance) P-C4' energy: -82.281 flat angles C4'-P-C4' energy: -77.571 flat angles P-C4'-P energy: -40.771 tors. eta vs tors. theta energy: -8.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1816.955688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.955688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.955688 (E_RNA) where: Base-Base interactions energy: -1296.529 where: short stacking energy: -537.353 Base-Backbone interact. energy: -1.185 local terms energy: -519.242000 where: bonds (distance) C4'-P energy: -80.519 bonds (distance) P-C4' energy: -92.591 flat angles C4'-P-C4' energy: -109.429 flat angles P-C4'-P energy: -72.248 tors. eta vs tors. theta energy: -164.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1796.527961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.527961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.527961 (E_RNA) where: Base-Base interactions energy: -1253.653 where: short stacking energy: -514.934 Base-Backbone interact. energy: -1.343 local terms energy: -541.531863 where: bonds (distance) C4'-P energy: -100.695 bonds (distance) P-C4' energy: -100.212 flat angles C4'-P-C4' energy: -113.683 flat angles P-C4'-P energy: -65.921 tors. eta vs tors. theta energy: -161.021 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: 4 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1754.066715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.066715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.066715 (E_RNA) where: Base-Base interactions energy: -1245.070 where: short stacking energy: -506.148 Base-Backbone interact. energy: 0.161 local terms energy: -509.157110 where: bonds (distance) C4'-P energy: -89.576 bonds (distance) P-C4' energy: -84.956 flat angles C4'-P-C4' energy: -113.214 flat angles P-C4'-P energy: -70.209 tors. eta vs tors. theta energy: -151.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1646.196814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.196814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.196814 (E_RNA) where: Base-Base interactions energy: -1155.303 where: short stacking energy: -476.921 Base-Backbone interact. energy: 0.306 local terms energy: -491.199290 where: bonds (distance) C4'-P energy: -84.155 bonds (distance) P-C4' energy: -85.823 flat angles C4'-P-C4' energy: -97.161 flat angles P-C4'-P energy: -77.201 tors. eta vs tors. theta energy: -146.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -1572.362944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.362944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.362944 (E_RNA) where: Base-Base interactions energy: -1096.332 where: short stacking energy: -441.121 Base-Backbone interact. energy: -0.956 local terms energy: -475.074712 where: bonds (distance) C4'-P energy: -95.431 bonds (distance) P-C4' energy: -80.468 flat angles C4'-P-C4' energy: -108.147 flat angles P-C4'-P energy: -48.765 tors. eta vs tors. theta energy: -142.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1545.514836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.514836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.514836 (E_RNA) where: Base-Base interactions energy: -1065.858 where: short stacking energy: -444.312 Base-Backbone interact. energy: -0.579 local terms energy: -479.077732 where: bonds (distance) C4'-P energy: -91.649 bonds (distance) P-C4' energy: -83.927 flat angles C4'-P-C4' energy: -103.029 flat angles P-C4'-P energy: -65.038 tors. eta vs tors. theta energy: -135.435 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: 2 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1346.107355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.107355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.107355 (E_RNA) where: Base-Base interactions energy: -941.911 where: short stacking energy: -371.206 Base-Backbone interact. energy: 0.506 local terms energy: -404.702701 where: bonds (distance) C4'-P energy: -68.440 bonds (distance) P-C4' energy: -92.344 flat angles C4'-P-C4' energy: -92.023 flat angles P-C4'-P energy: -55.758 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: 8, replica: 10 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1320.158328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.158328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.158328 (E_RNA) where: Base-Base interactions energy: -895.685 where: short stacking energy: -366.653 Base-Backbone interact. energy: -0.780 local terms energy: -423.693555 where: bonds (distance) C4'-P energy: -83.801 bonds (distance) P-C4' energy: -82.773 flat angles C4'-P-C4' energy: -94.393 flat angles P-C4'-P energy: -64.553 tors. eta vs tors. theta energy: -98.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -1039.596119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.596119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.596119 (E_RNA) where: Base-Base interactions energy: -676.930 where: short stacking energy: -282.581 Base-Backbone interact. energy: 3.158 local terms energy: -365.824347 where: bonds (distance) C4'-P energy: -82.373 bonds (distance) P-C4' energy: -92.257 flat angles C4'-P-C4' energy: -75.758 flat angles P-C4'-P energy: -52.889 tors. eta vs tors. theta energy: -62.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -661.528763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.528763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.528763 (E_RNA) where: Base-Base interactions energy: -392.368 where: short stacking energy: -178.917 Base-Backbone interact. energy: 4.582 local terms energy: -273.742807 where: bonds (distance) C4'-P energy: -64.285 bonds (distance) P-C4' energy: -91.805 flat angles C4'-P-C4' energy: -73.910 flat angles P-C4'-P energy: -20.970 tors. eta vs tors. theta energy: -22.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1838.958635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.958635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.958635 (E_RNA) where: Base-Base interactions energy: -1278.054 where: short stacking energy: -540.407 Base-Backbone interact. energy: -0.515 local terms energy: -560.390602 where: bonds (distance) C4'-P energy: -95.950 bonds (distance) P-C4' energy: -100.834 flat angles C4'-P-C4' energy: -123.195 flat angles P-C4'-P energy: -70.363 tors. eta vs tors. theta energy: -170.048 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: 9 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1810.871391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.871391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.871391 (E_RNA) where: Base-Base interactions energy: -1261.354 where: short stacking energy: -519.189 Base-Backbone interact. energy: -0.842 local terms energy: -548.675340 where: bonds (distance) C4'-P energy: -95.751 bonds (distance) P-C4' energy: -104.914 flat angles C4'-P-C4' energy: -107.012 flat angles P-C4'-P energy: -79.645 tors. eta vs tors. theta energy: -161.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1760.239840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.239840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.239840 (E_RNA) where: Base-Base interactions energy: -1243.961 where: short stacking energy: -488.437 Base-Backbone interact. energy: -2.295 local terms energy: -513.984311 where: bonds (distance) C4'-P energy: -91.340 bonds (distance) P-C4' energy: -84.635 flat angles C4'-P-C4' energy: -113.727 flat angles P-C4'-P energy: -73.205 tors. eta vs tors. theta energy: -151.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1664.641696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.641696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.641696 (E_RNA) where: Base-Base interactions energy: -1157.897 where: short stacking energy: -486.872 Base-Backbone interact. energy: 2.265 local terms energy: -509.009370 where: bonds (distance) C4'-P energy: -86.755 bonds (distance) P-C4' energy: -90.974 flat angles C4'-P-C4' energy: -111.169 flat angles P-C4'-P energy: -80.527 tors. eta vs tors. theta energy: -139.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -1600.239463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.239463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.239463 (E_RNA) where: Base-Base interactions energy: -1129.599 where: short stacking energy: -444.277 Base-Backbone interact. energy: -1.147 local terms energy: -469.493226 where: bonds (distance) C4'-P energy: -74.748 bonds (distance) P-C4' energy: -86.665 flat angles C4'-P-C4' energy: -99.860 flat angles P-C4'-P energy: -71.570 tors. eta vs tors. theta energy: -136.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1559.429174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.429174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.429174 (E_RNA) where: Base-Base interactions energy: -1095.112 where: short stacking energy: -456.408 Base-Backbone interact. energy: -0.683 local terms energy: -463.633742 where: bonds (distance) C4'-P energy: -75.142 bonds (distance) P-C4' energy: -79.275 flat angles C4'-P-C4' energy: -108.959 flat angles P-C4'-P energy: -69.866 tors. eta vs tors. theta energy: -130.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1352.437043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.437043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.437043 (E_RNA) where: Base-Base interactions energy: -922.069 where: short stacking energy: -372.891 Base-Backbone interact. energy: -1.903 local terms energy: -428.465322 where: bonds (distance) C4'-P energy: -90.579 bonds (distance) P-C4' energy: -77.519 flat angles C4'-P-C4' energy: -97.152 flat angles P-C4'-P energy: -71.394 tors. eta vs tors. theta energy: -91.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1228.759457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.759457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.759457 (E_RNA) where: Base-Base interactions energy: -849.341 where: short stacking energy: -330.401 Base-Backbone interact. energy: -0.588 local terms energy: -378.830466 where: bonds (distance) C4'-P energy: -90.076 bonds (distance) P-C4' energy: -80.128 flat angles C4'-P-C4' energy: -67.505 flat angles P-C4'-P energy: -56.017 tors. eta vs tors. theta energy: -85.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -1069.686929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.686929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.686929 (E_RNA) where: Base-Base interactions energy: -710.647 where: short stacking energy: -281.830 Base-Backbone interact. energy: -0.674 local terms energy: -358.365591 where: bonds (distance) C4'-P energy: -81.663 bonds (distance) P-C4' energy: -89.618 flat angles C4'-P-C4' energy: -77.697 flat angles P-C4'-P energy: -43.404 tors. eta vs tors. theta energy: -65.983 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: 7 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -744.507676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.507676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.507676 (E_RNA) where: Base-Base interactions energy: -440.567 where: short stacking energy: -191.597 Base-Backbone interact. energy: -2.437 local terms energy: -301.503956 where: bonds (distance) C4'-P energy: -79.107 bonds (distance) P-C4' energy: -79.336 flat angles C4'-P-C4' energy: -74.260 flat angles P-C4'-P energy: -41.632 tors. eta vs tors. theta energy: -27.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1824.427067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.427067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.427067 (E_RNA) where: Base-Base interactions energy: -1277.763 where: short stacking energy: -536.434 Base-Backbone interact. energy: -2.120 local terms energy: -544.544400 where: bonds (distance) C4'-P energy: -96.174 bonds (distance) P-C4' energy: -106.926 flat angles C4'-P-C4' energy: -111.902 flat angles P-C4'-P energy: -70.220 tors. eta vs tors. theta energy: -159.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1820.603551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.603551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.603551 (E_RNA) where: Base-Base interactions energy: -1284.556 where: short stacking energy: -528.725 Base-Backbone interact. energy: -0.144 local terms energy: -535.903465 where: bonds (distance) C4'-P energy: -95.570 bonds (distance) P-C4' energy: -93.145 flat angles C4'-P-C4' energy: -115.752 flat angles P-C4'-P energy: -72.959 tors. eta vs tors. theta energy: -158.478 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: 4 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1778.740831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.740831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.740831 (E_RNA) where: Base-Base interactions energy: -1256.626 where: short stacking energy: -521.206 Base-Backbone interact. energy: 1.268 local terms energy: -523.383059 where: bonds (distance) C4'-P energy: -91.291 bonds (distance) P-C4' energy: -93.959 flat angles C4'-P-C4' energy: -105.071 flat angles P-C4'-P energy: -75.792 tors. eta vs tors. theta energy: -157.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -1666.903961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.903961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.903961 (E_RNA) where: Base-Base interactions energy: -1168.851 where: short stacking energy: -468.967 Base-Backbone interact. energy: -1.324 local terms energy: -496.728013 where: bonds (distance) C4'-P energy: -82.085 bonds (distance) P-C4' energy: -84.116 flat angles C4'-P-C4' energy: -110.945 flat angles P-C4'-P energy: -69.932 tors. eta vs tors. theta energy: -149.651 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: 5 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -1616.357056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.357056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.357056 (E_RNA) where: Base-Base interactions energy: -1134.756 where: short stacking energy: -464.435 Base-Backbone interact. energy: -1.103 local terms energy: -480.498587 where: bonds (distance) C4'-P energy: -89.258 bonds (distance) P-C4' energy: -90.471 flat angles C4'-P-C4' energy: -99.810 flat angles P-C4'-P energy: -63.715 tors. eta vs tors. theta energy: -137.246 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: 8 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -1524.552833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.552833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.552833 (E_RNA) where: Base-Base interactions energy: -1072.546 where: short stacking energy: -425.823 Base-Backbone interact. energy: -1.198 local terms energy: -450.808086 where: bonds (distance) C4'-P energy: -77.786 bonds (distance) P-C4' energy: -88.411 flat angles C4'-P-C4' energy: -95.293 flat angles P-C4'-P energy: -64.691 tors. eta vs tors. theta energy: -124.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1324.686441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.686441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.686441 (E_RNA) where: Base-Base interactions energy: -890.315 where: short stacking energy: -374.781 Base-Backbone interact. energy: -1.493 local terms energy: -432.878419 where: bonds (distance) C4'-P energy: -82.532 bonds (distance) P-C4' energy: -86.158 flat angles C4'-P-C4' energy: -95.786 flat angles P-C4'-P energy: -59.935 tors. eta vs tors. theta energy: -108.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1187.257667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.257667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.257667 (E_RNA) where: Base-Base interactions energy: -798.624 where: short stacking energy: -343.310 Base-Backbone interact. energy: -0.158 local terms energy: -388.475909 where: bonds (distance) C4'-P energy: -82.873 bonds (distance) P-C4' energy: -77.613 flat angles C4'-P-C4' energy: -93.147 flat angles P-C4'-P energy: -41.720 tors. eta vs tors. theta energy: -93.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -1022.880405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.880405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.880405 (E_RNA) where: Base-Base interactions energy: -684.158 where: short stacking energy: -299.441 Base-Backbone interact. energy: 1.012 local terms energy: -339.735228 where: bonds (distance) C4'-P energy: -61.206 bonds (distance) P-C4' energy: -81.143 flat angles C4'-P-C4' energy: -81.583 flat angles P-C4'-P energy: -42.475 tors. eta vs tors. theta energy: -73.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -765.896587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.896587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.896587 (E_RNA) where: Base-Base interactions energy: -467.320 where: short stacking energy: -210.480 Base-Backbone interact. energy: -0.489 local terms energy: -298.087080 where: bonds (distance) C4'-P energy: -78.718 bonds (distance) P-C4' energy: -92.413 flat angles C4'-P-C4' energy: -80.029 flat angles P-C4'-P energy: -27.872 tors. eta vs tors. theta energy: -19.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1841.433669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.433669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.433669 (E_RNA) where: Base-Base interactions energy: -1283.864 where: short stacking energy: -531.568 Base-Backbone interact. energy: -1.087 local terms energy: -556.483183 where: bonds (distance) C4'-P energy: -103.028 bonds (distance) P-C4' energy: -92.948 flat angles C4'-P-C4' energy: -120.154 flat angles P-C4'-P energy: -75.197 tors. eta vs tors. theta energy: -165.156 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: 2, replica: 9 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1798.719926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.719926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.719926 (E_RNA) where: Base-Base interactions energy: -1268.638 where: short stacking energy: -511.045 Base-Backbone interact. energy: -0.658 local terms energy: -529.423938 where: bonds (distance) C4'-P energy: -94.506 bonds (distance) P-C4' energy: -87.486 flat angles C4'-P-C4' energy: -117.364 flat angles P-C4'-P energy: -66.003 tors. eta vs tors. theta energy: -164.065 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: 4 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1762.873777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.873777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.873777 (E_RNA) where: Base-Base interactions energy: -1258.617 where: short stacking energy: -517.582 Base-Backbone interact. energy: 1.955 local terms energy: -506.211497 where: bonds (distance) C4'-P energy: -92.953 bonds (distance) P-C4' energy: -90.068 flat angles C4'-P-C4' energy: -100.381 flat angles P-C4'-P energy: -70.004 tors. eta vs tors. theta energy: -152.806 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: 1 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1647.187408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.187408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.187408 (E_RNA) where: Base-Base interactions energy: -1155.503 where: short stacking energy: -460.758 Base-Backbone interact. energy: -1.852 local terms energy: -489.831873 where: bonds (distance) C4'-P energy: -84.380 bonds (distance) P-C4' energy: -94.107 flat angles C4'-P-C4' energy: -96.505 flat angles P-C4'-P energy: -69.948 tors. eta vs tors. theta energy: -144.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -1628.640123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.640123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.640123 (E_RNA) where: Base-Base interactions energy: -1152.114 where: short stacking energy: -472.045 Base-Backbone interact. energy: 0.719 local terms energy: -477.244744 where: bonds (distance) C4'-P energy: -84.857 bonds (distance) P-C4' energy: -87.539 flat angles C4'-P-C4' energy: -100.775 flat angles P-C4'-P energy: -58.540 tors. eta vs tors. theta energy: -145.534 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: 6, replica: 8 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -1482.398139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.398139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.398139 (E_RNA) where: Base-Base interactions energy: -1035.265 where: short stacking energy: -426.448 Base-Backbone interact. energy: -0.857 local terms energy: -446.276734 where: bonds (distance) C4'-P energy: -78.570 bonds (distance) P-C4' energy: -77.177 flat angles C4'-P-C4' energy: -100.141 flat angles P-C4'-P energy: -66.520 tors. eta vs tors. theta energy: -123.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1321.941252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.941252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.941252 (E_RNA) where: Base-Base interactions energy: -905.045 where: short stacking energy: -361.943 Base-Backbone interact. energy: -0.146 local terms energy: -416.749860 where: bonds (distance) C4'-P energy: -90.020 bonds (distance) P-C4' energy: -77.975 flat angles C4'-P-C4' energy: -86.882 flat angles P-C4'-P energy: -55.972 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: 8, replica: 10 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1209.047134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.047134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.047134 (E_RNA) where: Base-Base interactions energy: -811.602 where: short stacking energy: -340.654 Base-Backbone interact. energy: 0.706 local terms energy: -398.150285 where: bonds (distance) C4'-P energy: -85.140 bonds (distance) P-C4' energy: -73.417 flat angles C4'-P-C4' energy: -86.795 flat angles P-C4'-P energy: -63.815 tors. eta vs tors. theta energy: -88.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -1045.869389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.869389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.869389 (E_RNA) where: Base-Base interactions energy: -701.652 where: short stacking energy: -308.452 Base-Backbone interact. energy: -2.031 local terms energy: -342.185852 where: bonds (distance) C4'-P energy: -68.647 bonds (distance) P-C4' energy: -75.175 flat angles C4'-P-C4' energy: -86.016 flat angles P-C4'-P energy: -39.291 tors. eta vs tors. theta energy: -73.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -729.721503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.721503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.721503 (E_RNA) where: Base-Base interactions energy: -438.526 where: short stacking energy: -191.490 Base-Backbone interact. energy: 4.953 local terms energy: -296.148061 where: bonds (distance) C4'-P energy: -73.241 bonds (distance) P-C4' energy: -78.301 flat angles C4'-P-C4' energy: -83.237 flat angles P-C4'-P energy: -46.280 tors. eta vs tors. theta energy: -15.090 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: 3 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1840.133156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.133156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.133156 (E_RNA) where: Base-Base interactions energy: -1291.692 where: short stacking energy: -540.785 Base-Backbone interact. energy: 4.991 local terms energy: -553.432117 where: bonds (distance) C4'-P energy: -93.770 bonds (distance) P-C4' energy: -105.885 flat angles C4'-P-C4' energy: -119.981 flat angles P-C4'-P energy: -67.423 tors. eta vs tors. theta energy: -166.373 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: 2, replica: 4 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1812.914777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.914777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.914777 (E_RNA) where: Base-Base interactions energy: -1281.340 where: short stacking energy: -533.334 Base-Backbone interact. energy: -0.556 local terms energy: -531.018820 where: bonds (distance) C4'-P energy: -80.011 bonds (distance) P-C4' energy: -84.505 flat angles C4'-P-C4' energy: -124.364 flat angles P-C4'-P energy: -73.409 tors. eta vs tors. theta energy: -168.729 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: 9 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1774.969566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.969566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.969566 (E_RNA) where: Base-Base interactions energy: -1238.234 where: short stacking energy: -505.038 Base-Backbone interact. energy: -0.137 local terms energy: -536.597718 where: bonds (distance) C4'-P energy: -86.848 bonds (distance) P-C4' energy: -90.354 flat angles C4'-P-C4' energy: -114.108 flat angles P-C4'-P energy: -87.382 tors. eta vs tors. theta energy: -157.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1659.085960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.085960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.085960 (E_RNA) where: Base-Base interactions energy: -1191.516 where: short stacking energy: -483.668 Base-Backbone interact. energy: -1.037 local terms energy: -466.532871 where: bonds (distance) C4'-P energy: -77.180 bonds (distance) P-C4' energy: -79.980 flat angles C4'-P-C4' energy: -108.675 flat angles P-C4'-P energy: -65.530 tors. eta vs tors. theta energy: -135.168 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: 5 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -1604.054934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.054934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.054934 (E_RNA) where: Base-Base interactions energy: -1110.870 where: short stacking energy: -437.740 Base-Backbone interact. energy: 2.214 local terms energy: -495.398933 where: bonds (distance) C4'-P energy: -90.088 bonds (distance) P-C4' energy: -87.558 flat angles C4'-P-C4' energy: -107.205 flat angles P-C4'-P energy: -71.908 tors. eta vs tors. theta energy: -138.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1485.675504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.675504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.675504 (E_RNA) where: Base-Base interactions energy: -1032.708 where: short stacking energy: -430.596 Base-Backbone interact. energy: -1.139 local terms energy: -451.828642 where: bonds (distance) C4'-P energy: -85.544 bonds (distance) P-C4' energy: -93.101 flat angles C4'-P-C4' energy: -79.398 flat angles P-C4'-P energy: -56.161 tors. eta vs tors. theta energy: -137.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1311.337410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.337410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.337410 (E_RNA) where: Base-Base interactions energy: -875.962 where: short stacking energy: -373.249 Base-Backbone interact. energy: -0.627 local terms energy: -434.748498 where: bonds (distance) C4'-P energy: -81.608 bonds (distance) P-C4' energy: -90.789 flat angles C4'-P-C4' energy: -95.295 flat angles P-C4'-P energy: -63.227 tors. eta vs tors. theta energy: -103.831 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: 10 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1305.552026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.552026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.552026 (E_RNA) where: Base-Base interactions energy: -858.446 where: short stacking energy: -358.477 Base-Backbone interact. energy: -1.815 local terms energy: -445.291911 where: bonds (distance) C4'-P energy: -89.110 bonds (distance) P-C4' energy: -94.310 flat angles C4'-P-C4' energy: -93.811 flat angles P-C4'-P energy: -67.145 tors. eta vs tors. theta energy: -100.916 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: 6 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -1048.308275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.308275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.308275 (E_RNA) where: Base-Base interactions energy: -693.100 where: short stacking energy: -291.632 Base-Backbone interact. energy: 3.122 local terms energy: -358.329908 where: bonds (distance) C4'-P energy: -87.197 bonds (distance) P-C4' energy: -65.808 flat angles C4'-P-C4' energy: -87.278 flat angles P-C4'-P energy: -56.051 tors. eta vs tors. theta energy: -61.996 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: 10, replica: 7 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -784.461734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.461734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.461734 (E_RNA) where: Base-Base interactions energy: -476.439 where: short stacking energy: -219.249 Base-Backbone interact. energy: 2.207 local terms energy: -310.230092 where: bonds (distance) C4'-P energy: -70.600 bonds (distance) P-C4' energy: -69.792 flat angles C4'-P-C4' energy: -73.181 flat angles P-C4'-P energy: -55.290 tors. eta vs tors. theta energy: -41.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1841.194764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.194764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.194764 (E_RNA) where: Base-Base interactions energy: -1291.705 where: short stacking energy: -526.288 Base-Backbone interact. energy: -1.464 local terms energy: -548.025612 where: bonds (distance) C4'-P energy: -91.624 bonds (distance) P-C4' energy: -101.128 flat angles C4'-P-C4' energy: -115.891 flat angles P-C4'-P energy: -79.629 tors. eta vs tors. theta energy: -159.753 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: 3 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -1809.430451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.430451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.430451 (E_RNA) where: Base-Base interactions energy: -1250.122 where: short stacking energy: -535.850 Base-Backbone interact. energy: -0.861 local terms energy: -558.447920 where: bonds (distance) C4'-P energy: -96.955 bonds (distance) P-C4' energy: -92.206 flat angles C4'-P-C4' energy: -116.377 flat angles P-C4'-P energy: -85.504 tors. eta vs tors. theta energy: -167.405 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: 9 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1782.913346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.913346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.913346 (E_RNA) where: Base-Base interactions energy: -1253.566 where: short stacking energy: -505.826 Base-Backbone interact. energy: -1.448 local terms energy: -527.899713 where: bonds (distance) C4'-P energy: -99.546 bonds (distance) P-C4' energy: -86.339 flat angles C4'-P-C4' energy: -109.251 flat angles P-C4'-P energy: -73.007 tors. eta vs tors. theta energy: -159.757 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: 1 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1650.230399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.230399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.230399 (E_RNA) where: Base-Base interactions energy: -1167.825 where: short stacking energy: -473.189 Base-Backbone interact. energy: 2.758 local terms energy: -485.163142 where: bonds (distance) C4'-P energy: -78.870 bonds (distance) P-C4' energy: -84.502 flat angles C4'-P-C4' energy: -105.539 flat angles P-C4'-P energy: -69.798 tors. eta vs tors. theta energy: -146.455 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: 5 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -1568.713623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.713623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.713623 (E_RNA) where: Base-Base interactions energy: -1086.599 where: short stacking energy: -429.224 Base-Backbone interact. energy: 1.564 local terms energy: -483.679169 where: bonds (distance) C4'-P energy: -87.802 bonds (distance) P-C4' energy: -88.771 flat angles C4'-P-C4' energy: -113.460 flat angles P-C4'-P energy: -61.297 tors. eta vs tors. theta energy: -132.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1497.956717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.956717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.956717 (E_RNA) where: Base-Base interactions energy: -1045.434 where: short stacking energy: -423.855 Base-Backbone interact. energy: -0.700 local terms energy: -451.822448 where: bonds (distance) C4'-P energy: -71.280 bonds (distance) P-C4' energy: -94.203 flat angles C4'-P-C4' energy: -104.745 flat angles P-C4'-P energy: -61.761 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: 7, replica: 10 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1312.641208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.641208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.641208 (E_RNA) where: Base-Base interactions energy: -882.511 where: short stacking energy: -386.651 Base-Backbone interact. energy: 0.845 local terms energy: -430.975422 where: bonds (distance) C4'-P energy: -83.099 bonds (distance) P-C4' energy: -80.930 flat angles C4'-P-C4' energy: -88.339 flat angles P-C4'-P energy: -73.717 tors. eta vs tors. theta energy: -104.890 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: 2 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1234.666958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.666958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.666958 (E_RNA) where: Base-Base interactions energy: -834.121 where: short stacking energy: -356.100 Base-Backbone interact. energy: -1.489 local terms energy: -399.056405 where: bonds (distance) C4'-P energy: -66.320 bonds (distance) P-C4' energy: -77.090 flat angles C4'-P-C4' energy: -90.928 flat angles P-C4'-P energy: -63.795 tors. eta vs tors. theta energy: -100.924 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: 6 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -1067.207922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.207922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.207922 (E_RNA) where: Base-Base interactions energy: -678.926 where: short stacking energy: -299.550 Base-Backbone interact. energy: -0.709 local terms energy: -387.572761 where: bonds (distance) C4'-P energy: -76.346 bonds (distance) P-C4' energy: -91.368 flat angles C4'-P-C4' energy: -82.029 flat angles P-C4'-P energy: -59.607 tors. eta vs tors. theta energy: -78.223 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: 7 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -754.051403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.051403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.051403 (E_RNA) where: Base-Base interactions energy: -467.124 where: short stacking energy: -220.250 Base-Backbone interact. energy: -0.476 local terms energy: -286.451274 where: bonds (distance) C4'-P energy: -75.091 bonds (distance) P-C4' energy: -70.383 flat angles C4'-P-C4' energy: -72.794 flat angles P-C4'-P energy: -47.527 tors. eta vs tors. theta energy: -20.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1828.861428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.861428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.861428 (E_RNA) where: Base-Base interactions energy: -1284.126 where: short stacking energy: -510.016 Base-Backbone interact. energy: -1.691 local terms energy: -543.043813 where: bonds (distance) C4'-P energy: -94.284 bonds (distance) P-C4' energy: -100.865 flat angles C4'-P-C4' energy: -107.330 flat angles P-C4'-P energy: -88.157 tors. eta vs tors. theta energy: -152.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1814.964564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.964564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.964564 (E_RNA) where: Base-Base interactions energy: -1263.542 where: short stacking energy: -518.847 Base-Backbone interact. energy: -1.636 local terms energy: -549.786649 where: bonds (distance) C4'-P energy: -103.695 bonds (distance) P-C4' energy: -92.309 flat angles C4'-P-C4' energy: -103.949 flat angles P-C4'-P energy: -81.757 tors. eta vs tors. theta energy: -168.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1784.920320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.920320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.920320 (E_RNA) where: Base-Base interactions energy: -1253.164 where: short stacking energy: -492.336 Base-Backbone interact. energy: -0.379 local terms energy: -531.377027 where: bonds (distance) C4'-P energy: -80.149 bonds (distance) P-C4' energy: -104.478 flat angles C4'-P-C4' energy: -111.416 flat angles P-C4'-P energy: -78.018 tors. eta vs tors. theta energy: -157.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1679.295918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.295918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.295918 (E_RNA) where: Base-Base interactions energy: -1187.326 where: short stacking energy: -474.272 Base-Backbone interact. energy: -2.152 local terms energy: -489.817320 where: bonds (distance) C4'-P energy: -91.734 bonds (distance) P-C4' energy: -89.316 flat angles C4'-P-C4' energy: -100.681 flat angles P-C4'-P energy: -58.873 tors. eta vs tors. theta energy: -149.213 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: 5 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -1549.250528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.250528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.250528 (E_RNA) where: Base-Base interactions energy: -1070.972 where: short stacking energy: -417.764 Base-Backbone interact. energy: -1.403 local terms energy: -476.875864 where: bonds (distance) C4'-P energy: -81.543 bonds (distance) P-C4' energy: -95.712 flat angles C4'-P-C4' energy: -105.331 flat angles P-C4'-P energy: -70.534 tors. eta vs tors. theta energy: -123.757 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: 6, replica: 8 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1494.833717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.833717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.833717 (E_RNA) where: Base-Base interactions energy: -1029.051 where: short stacking energy: -404.252 Base-Backbone interact. energy: 0.092 local terms energy: -465.874024 where: bonds (distance) C4'-P energy: -83.869 bonds (distance) P-C4' energy: -90.835 flat angles C4'-P-C4' energy: -97.635 flat angles P-C4'-P energy: -69.003 tors. eta vs tors. theta energy: -124.531 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: 7, replica: 10 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1324.502272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.502272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.502272 (E_RNA) where: Base-Base interactions energy: -895.557 where: short stacking energy: -375.412 Base-Backbone interact. energy: -1.940 local terms energy: -427.005551 where: bonds (distance) C4'-P energy: -77.561 bonds (distance) P-C4' energy: -75.630 flat angles C4'-P-C4' energy: -95.607 flat angles P-C4'-P energy: -72.550 tors. eta vs tors. theta energy: -105.656 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: 2 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1290.166176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.166176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.166176 (E_RNA) where: Base-Base interactions energy: -865.301 where: short stacking energy: -360.130 Base-Backbone interact. energy: -0.743 local terms energy: -424.122099 where: bonds (distance) C4'-P energy: -81.159 bonds (distance) P-C4' energy: -83.839 flat angles C4'-P-C4' energy: -93.305 flat angles P-C4'-P energy: -61.992 tors. eta vs tors. theta energy: -103.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -1058.758915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.758915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.758915 (E_RNA) where: Base-Base interactions energy: -702.714 where: short stacking energy: -291.839 Base-Backbone interact. energy: -0.590 local terms energy: -355.454791 where: bonds (distance) C4'-P energy: -82.575 bonds (distance) P-C4' energy: -80.071 flat angles C4'-P-C4' energy: -76.250 flat angles P-C4'-P energy: -51.832 tors. eta vs tors. theta energy: -64.726 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: 7 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -733.455230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.455230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.455230 (E_RNA) where: Base-Base interactions energy: -440.632 where: short stacking energy: -216.890 Base-Backbone interact. energy: -2.692 local terms energy: -290.131152 where: bonds (distance) C4'-P energy: -78.159 bonds (distance) P-C4' energy: -87.357 flat angles C4'-P-C4' energy: -65.689 flat angles P-C4'-P energy: -33.549 tors. eta vs tors. theta energy: -25.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1855.291716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.291716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.291716 (E_RNA) where: Base-Base interactions energy: -1318.964 where: short stacking energy: -515.222 Base-Backbone interact. energy: -0.837 local terms energy: -535.490862 where: bonds (distance) C4'-P energy: -97.388 bonds (distance) P-C4' energy: -97.620 flat angles C4'-P-C4' energy: -109.346 flat angles P-C4'-P energy: -73.870 tors. eta vs tors. theta energy: -157.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1808.900828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.900828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.900828 (E_RNA) where: Base-Base interactions energy: -1268.020 where: short stacking energy: -525.084 Base-Backbone interact. energy: -0.992 local terms energy: -539.888410 where: bonds (distance) C4'-P energy: -97.956 bonds (distance) P-C4' energy: -85.315 flat angles C4'-P-C4' energy: -112.404 flat angles P-C4'-P energy: -78.308 tors. eta vs tors. theta energy: -165.905 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: 9 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1794.000715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.000715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.000715 (E_RNA) where: Base-Base interactions energy: -1251.844 where: short stacking energy: -481.949 Base-Backbone interact. energy: -1.121 local terms energy: -541.035354 where: bonds (distance) C4'-P energy: -92.698 bonds (distance) P-C4' energy: -98.924 flat angles C4'-P-C4' energy: -111.060 flat angles P-C4'-P energy: -82.073 tors. eta vs tors. theta energy: -156.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1651.019078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.019078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.019078 (E_RNA) where: Base-Base interactions energy: -1129.618 where: short stacking energy: -459.735 Base-Backbone interact. energy: -2.339 local terms energy: -519.061909 where: bonds (distance) C4'-P energy: -94.201 bonds (distance) P-C4' energy: -100.400 flat angles C4'-P-C4' energy: -99.767 flat angles P-C4'-P energy: -80.967 tors. eta vs tors. theta energy: -143.726 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: 5 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1583.330892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.330892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.330892 (E_RNA) where: Base-Base interactions energy: -1095.947 where: short stacking energy: -443.386 Base-Backbone interact. energy: -1.543 local terms energy: -485.840981 where: bonds (distance) C4'-P energy: -80.575 bonds (distance) P-C4' energy: -92.962 flat angles C4'-P-C4' energy: -103.040 flat angles P-C4'-P energy: -69.969 tors. eta vs tors. theta energy: -139.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -1492.474427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.474427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.474427 (E_RNA) where: Base-Base interactions energy: -1036.779 where: short stacking energy: -428.736 Base-Backbone interact. energy: -0.392 local terms energy: -455.303169 where: bonds (distance) C4'-P energy: -85.590 bonds (distance) P-C4' energy: -77.650 flat angles C4'-P-C4' energy: -94.354 flat angles P-C4'-P energy: -68.914 tors. eta vs tors. theta energy: -128.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1274.132427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.132427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.132427 (E_RNA) where: Base-Base interactions energy: -870.706 where: short stacking energy: -362.667 Base-Backbone interact. energy: -1.288 local terms energy: -402.139085 where: bonds (distance) C4'-P energy: -74.115 bonds (distance) P-C4' energy: -90.355 flat angles C4'-P-C4' energy: -94.814 flat angles P-C4'-P energy: -52.143 tors. eta vs tors. theta energy: -90.712 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: 8, replica: 10 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1304.242834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.242834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.242834 (E_RNA) where: Base-Base interactions energy: -884.227 where: short stacking energy: -379.185 Base-Backbone interact. energy: -0.140 local terms energy: -419.874935 where: bonds (distance) C4'-P energy: -90.023 bonds (distance) P-C4' energy: -75.010 flat angles C4'-P-C4' energy: -93.562 flat angles P-C4'-P energy: -58.110 tors. eta vs tors. theta energy: -103.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -1065.688347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.688347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.688347 (E_RNA) where: Base-Base interactions energy: -720.737 where: short stacking energy: -311.252 Base-Backbone interact. energy: 1.540 local terms energy: -346.490486 where: bonds (distance) C4'-P energy: -66.139 bonds (distance) P-C4' energy: -73.409 flat angles C4'-P-C4' energy: -95.086 flat angles P-C4'-P energy: -41.832 tors. eta vs tors. theta energy: -70.025 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: 7 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -777.866417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.866417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.866417 (E_RNA) where: Base-Base interactions energy: -476.532 where: short stacking energy: -208.684 Base-Backbone interact. energy: -1.304 local terms energy: -300.030103 where: bonds (distance) C4'-P energy: -69.491 bonds (distance) P-C4' energy: -77.436 flat angles C4'-P-C4' energy: -83.012 flat angles P-C4'-P energy: -43.219 tors. eta vs tors. theta energy: -26.872 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: 1, replica: 4 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1869.239820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.239820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.239820 (E_RNA) where: Base-Base interactions energy: -1328.634 where: short stacking energy: -539.661 Base-Backbone interact. energy: -0.755 local terms energy: -539.850133 where: bonds (distance) C4'-P energy: -79.766 bonds (distance) P-C4' energy: -94.981 flat angles C4'-P-C4' energy: -118.330 flat angles P-C4'-P energy: -87.494 tors. eta vs tors. theta energy: -159.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1804.935263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.935263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.935263 (E_RNA) where: Base-Base interactions energy: -1273.625 where: short stacking energy: -533.689 Base-Backbone interact. energy: -0.177 local terms energy: -531.132603 where: bonds (distance) C4'-P energy: -85.290 bonds (distance) P-C4' energy: -97.543 flat angles C4'-P-C4' energy: -107.589 flat angles P-C4'-P energy: -75.555 tors. eta vs tors. theta energy: -165.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1770.517270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.517270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.517270 (E_RNA) where: Base-Base interactions energy: -1271.678 where: short stacking energy: -497.726 Base-Backbone interact. energy: -0.202 local terms energy: -498.636812 where: bonds (distance) C4'-P energy: -82.363 bonds (distance) P-C4' energy: -80.834 flat angles C4'-P-C4' energy: -103.739 flat angles P-C4'-P energy: -78.327 tors. eta vs tors. theta energy: -153.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1653.734464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.734464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.734464 (E_RNA) where: Base-Base interactions energy: -1167.687 where: short stacking energy: -467.563 Base-Backbone interact. energy: -0.180 local terms energy: -485.867786 where: bonds (distance) C4'-P energy: -91.425 bonds (distance) P-C4' energy: -76.761 flat angles C4'-P-C4' energy: -108.917 flat angles P-C4'-P energy: -68.001 tors. eta vs tors. theta energy: -140.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -1584.915308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.915308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.915308 (E_RNA) where: Base-Base interactions energy: -1103.073 where: short stacking energy: -471.773 Base-Backbone interact. energy: -2.732 local terms energy: -479.110571 where: bonds (distance) C4'-P energy: -88.754 bonds (distance) P-C4' energy: -91.326 flat angles C4'-P-C4' energy: -94.477 flat angles P-C4'-P energy: -62.418 tors. eta vs tors. theta energy: -142.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -1528.796912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.796912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.796912 (E_RNA) where: Base-Base interactions energy: -1070.208 where: short stacking energy: -422.249 Base-Backbone interact. energy: -0.953 local terms energy: -457.635635 where: bonds (distance) C4'-P energy: -87.782 bonds (distance) P-C4' energy: -74.477 flat angles C4'-P-C4' energy: -104.118 flat angles P-C4'-P energy: -66.690 tors. eta vs tors. theta energy: -124.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1308.367921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.367921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.367921 (E_RNA) where: Base-Base interactions energy: -866.049 where: short stacking energy: -358.887 Base-Backbone interact. energy: -0.349 local terms energy: -441.969761 where: bonds (distance) C4'-P energy: -65.202 bonds (distance) P-C4' energy: -99.160 flat angles C4'-P-C4' energy: -101.554 flat angles P-C4'-P energy: -62.130 tors. eta vs tors. theta energy: -113.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1284.458079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.458079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.458079 (E_RNA) where: Base-Base interactions energy: -888.476 where: short stacking energy: -368.901 Base-Backbone interact. energy: -0.688 local terms energy: -395.293931 where: bonds (distance) C4'-P energy: -76.070 bonds (distance) P-C4' energy: -60.637 flat angles C4'-P-C4' energy: -94.558 flat angles P-C4'-P energy: -60.739 tors. eta vs tors. theta energy: -103.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -1055.292980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.292980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.292980 (E_RNA) where: Base-Base interactions energy: -676.571 where: short stacking energy: -283.964 Base-Backbone interact. energy: -0.940 local terms energy: -377.782569 where: bonds (distance) C4'-P energy: -86.500 bonds (distance) P-C4' energy: -75.260 flat angles C4'-P-C4' energy: -86.608 flat angles P-C4'-P energy: -52.653 tors. eta vs tors. theta energy: -76.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -785.416423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.416423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.416423 (E_RNA) where: Base-Base interactions energy: -468.359 where: short stacking energy: -217.924 Base-Backbone interact. energy: -0.464 local terms energy: -316.593298 where: bonds (distance) C4'-P energy: -71.517 bonds (distance) P-C4' energy: -83.186 flat angles C4'-P-C4' energy: -72.548 flat angles P-C4'-P energy: -49.848 tors. eta vs tors. theta energy: -39.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1874.586750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.586750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.586750 (E_RNA) where: Base-Base interactions energy: -1310.744 where: short stacking energy: -536.541 Base-Backbone interact. energy: 1.272 local terms energy: -565.114687 where: bonds (distance) C4'-P energy: -96.353 bonds (distance) P-C4' energy: -106.040 flat angles C4'-P-C4' energy: -123.921 flat angles P-C4'-P energy: -77.116 tors. eta vs tors. theta energy: -161.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1784.495321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.495321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.495321 (E_RNA) where: Base-Base interactions energy: -1246.225 where: short stacking energy: -529.793 Base-Backbone interact. energy: 0.672 local terms energy: -538.942145 where: bonds (distance) C4'-P energy: -91.165 bonds (distance) P-C4' energy: -92.524 flat angles C4'-P-C4' energy: -117.090 flat angles P-C4'-P energy: -81.206 tors. eta vs tors. theta energy: -156.958 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: 9 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1767.680572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.680572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.680572 (E_RNA) where: Base-Base interactions energy: -1237.874 where: short stacking energy: -506.776 Base-Backbone interact. energy: -0.460 local terms energy: -529.345996 where: bonds (distance) C4'-P energy: -89.079 bonds (distance) P-C4' energy: -93.694 flat angles C4'-P-C4' energy: -111.332 flat angles P-C4'-P energy: -80.820 tors. eta vs tors. theta energy: -154.422 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: 1 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1650.873514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.873514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.873514 (E_RNA) where: Base-Base interactions energy: -1177.680 where: short stacking energy: -463.166 Base-Backbone interact. energy: 0.249 local terms energy: -473.442005 where: bonds (distance) C4'-P energy: -76.254 bonds (distance) P-C4' energy: -86.880 flat angles C4'-P-C4' energy: -107.370 flat angles P-C4'-P energy: -66.950 tors. eta vs tors. theta energy: -135.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -1580.703312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.703312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.703312 (E_RNA) where: Base-Base interactions energy: -1113.289 where: short stacking energy: -442.245 Base-Backbone interact. energy: -1.763 local terms energy: -465.651615 where: bonds (distance) C4'-P energy: -74.744 bonds (distance) P-C4' energy: -82.800 flat angles C4'-P-C4' energy: -97.953 flat angles P-C4'-P energy: -77.469 tors. eta vs tors. theta energy: -132.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1538.577480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.577480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.577480 (E_RNA) where: Base-Base interactions energy: -1064.889 where: short stacking energy: -431.080 Base-Backbone interact. energy: -0.546 local terms energy: -473.142636 where: bonds (distance) C4'-P energy: -92.519 bonds (distance) P-C4' energy: -70.784 flat angles C4'-P-C4' energy: -106.210 flat angles P-C4'-P energy: -68.875 tors. eta vs tors. theta energy: -134.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1280.773822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.773822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.773822 (E_RNA) where: Base-Base interactions energy: -855.937 where: short stacking energy: -374.118 Base-Backbone interact. energy: 0.590 local terms energy: -425.426641 where: bonds (distance) C4'-P energy: -84.707 bonds (distance) P-C4' energy: -97.460 flat angles C4'-P-C4' energy: -89.769 flat angles P-C4'-P energy: -54.408 tors. eta vs tors. theta energy: -99.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1264.593774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.593774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.593774 (E_RNA) where: Base-Base interactions energy: -855.067 where: short stacking energy: -346.204 Base-Backbone interact. energy: -0.893 local terms energy: -408.633873 where: bonds (distance) C4'-P energy: -86.888 bonds (distance) P-C4' energy: -79.746 flat angles C4'-P-C4' energy: -89.791 flat angles P-C4'-P energy: -58.048 tors. eta vs tors. theta energy: -94.160 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: 6 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -1085.391083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.391083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.391083 (E_RNA) where: Base-Base interactions energy: -698.062 where: short stacking energy: -308.623 Base-Backbone interact. energy: -1.635 local terms energy: -385.694437 where: bonds (distance) C4'-P energy: -84.708 bonds (distance) P-C4' energy: -81.448 flat angles C4'-P-C4' energy: -94.363 flat angles P-C4'-P energy: -53.356 tors. eta vs tors. theta energy: -71.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -804.199605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.199605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.199605 (E_RNA) where: Base-Base interactions energy: -502.807 where: short stacking energy: -217.407 Base-Backbone interact. energy: -1.639 local terms energy: -299.753127 where: bonds (distance) C4'-P energy: -71.032 bonds (distance) P-C4' energy: -87.143 flat angles C4'-P-C4' energy: -67.041 flat angles P-C4'-P energy: -35.567 tors. eta vs tors. theta energy: -38.970 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: 4 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1881.992196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.992196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.992196 (E_RNA) where: Base-Base interactions energy: -1332.028 where: short stacking energy: -529.715 Base-Backbone interact. energy: 0.863 local terms energy: -550.827498 where: bonds (distance) C4'-P energy: -93.005 bonds (distance) P-C4' energy: -97.790 flat angles C4'-P-C4' energy: -117.145 flat angles P-C4'-P energy: -81.075 tors. eta vs tors. theta energy: -161.812 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: 3 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1790.983200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.983200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.983200 (E_RNA) where: Base-Base interactions energy: -1268.160 where: short stacking energy: -526.720 Base-Backbone interact. energy: 2.457 local terms energy: -525.280820 where: bonds (distance) C4'-P energy: -89.916 bonds (distance) P-C4' energy: -97.935 flat angles C4'-P-C4' energy: -105.042 flat angles P-C4'-P energy: -78.607 tors. eta vs tors. theta energy: -153.782 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: 9 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1750.378263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.378263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.378263 (E_RNA) where: Base-Base interactions energy: -1214.531 where: short stacking energy: -495.212 Base-Backbone interact. energy: 1.834 local terms energy: -537.680387 where: bonds (distance) C4'-P energy: -95.121 bonds (distance) P-C4' energy: -92.198 flat angles C4'-P-C4' energy: -110.234 flat angles P-C4'-P energy: -82.498 tors. eta vs tors. theta energy: -157.630 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: 8 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1615.678567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.678567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.678567 (E_RNA) where: Base-Base interactions energy: -1111.840 where: short stacking energy: -458.003 Base-Backbone interact. energy: -2.699 local terms energy: -501.139155 where: bonds (distance) C4'-P energy: -90.938 bonds (distance) P-C4' energy: -83.008 flat angles C4'-P-C4' energy: -115.479 flat angles P-C4'-P energy: -73.212 tors. eta vs tors. theta energy: -138.502 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: 1 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -1611.572821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.572821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.572821 (E_RNA) where: Base-Base interactions energy: -1124.948 where: short stacking energy: -461.939 Base-Backbone interact. energy: -0.506 local terms energy: -486.119388 where: bonds (distance) C4'-P energy: -77.765 bonds (distance) P-C4' energy: -84.436 flat angles C4'-P-C4' energy: -119.130 flat angles P-C4'-P energy: -66.253 tors. eta vs tors. theta energy: -138.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1517.090169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.090169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.090169 (E_RNA) where: Base-Base interactions energy: -1052.731 where: short stacking energy: -432.895 Base-Backbone interact. energy: -1.062 local terms energy: -463.296951 where: bonds (distance) C4'-P energy: -87.163 bonds (distance) P-C4' energy: -89.040 flat angles C4'-P-C4' energy: -99.062 flat angles P-C4'-P energy: -60.979 tors. eta vs tors. theta energy: -127.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1338.685703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.685703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.685703 (E_RNA) where: Base-Base interactions energy: -901.106 where: short stacking energy: -382.619 Base-Backbone interact. energy: -1.763 local terms energy: -435.816571 where: bonds (distance) C4'-P energy: -90.320 bonds (distance) P-C4' energy: -78.209 flat angles C4'-P-C4' energy: -94.759 flat angles P-C4'-P energy: -59.898 tors. eta vs tors. theta energy: -112.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1265.334695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.334695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.334695 (E_RNA) where: Base-Base interactions energy: -848.649 where: short stacking energy: -337.301 Base-Backbone interact. energy: 0.866 local terms energy: -417.552019 where: bonds (distance) C4'-P energy: -89.062 bonds (distance) P-C4' energy: -84.650 flat angles C4'-P-C4' energy: -86.674 flat angles P-C4'-P energy: -59.422 tors. eta vs tors. theta energy: -97.743 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: 6 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -1122.343774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.343774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.343774 (E_RNA) where: Base-Base interactions energy: -736.263 where: short stacking energy: -326.491 Base-Backbone interact. energy: -0.304 local terms energy: -385.776490 where: bonds (distance) C4'-P energy: -67.488 bonds (distance) P-C4' energy: -89.381 flat angles C4'-P-C4' energy: -93.326 flat angles P-C4'-P energy: -54.752 tors. eta vs tors. theta energy: -80.830 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: 10, replica: 7 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -814.453933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.453933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.453933 (E_RNA) where: Base-Base interactions energy: -500.472 where: short stacking energy: -219.828 Base-Backbone interact. energy: 2.571 local terms energy: -316.553173 where: bonds (distance) C4'-P energy: -76.857 bonds (distance) P-C4' energy: -75.445 flat angles C4'-P-C4' energy: -79.451 flat angles P-C4'-P energy: -47.679 tors. eta vs tors. theta energy: -37.121 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: 4 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1880.105238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.105238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.105238 (E_RNA) where: Base-Base interactions energy: -1308.008 where: short stacking energy: -521.593 Base-Backbone interact. energy: -2.392 local terms energy: -569.705818 where: bonds (distance) C4'-P energy: -106.789 bonds (distance) P-C4' energy: -101.288 flat angles C4'-P-C4' energy: -118.165 flat angles P-C4'-P energy: -87.721 tors. eta vs tors. theta energy: -155.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1820.955295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.955295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.955295 (E_RNA) where: Base-Base interactions energy: -1272.306 where: short stacking energy: -534.759 Base-Backbone interact. energy: -0.165 local terms energy: -548.483648 where: bonds (distance) C4'-P energy: -92.987 bonds (distance) P-C4' energy: -95.529 flat angles C4'-P-C4' energy: -119.327 flat angles P-C4'-P energy: -74.434 tors. eta vs tors. theta energy: -166.206 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: 9 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1739.574415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.574415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.574415 (E_RNA) where: Base-Base interactions energy: -1228.354 where: short stacking energy: -499.296 Base-Backbone interact. energy: -0.386 local terms energy: -510.834152 where: bonds (distance) C4'-P energy: -74.297 bonds (distance) P-C4' energy: -96.799 flat angles C4'-P-C4' energy: -107.628 flat angles P-C4'-P energy: -77.293 tors. eta vs tors. theta energy: -154.817 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: 4, replica: 8 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1629.547968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.547968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.547968 (E_RNA) where: Base-Base interactions energy: -1115.334 where: short stacking energy: -462.071 Base-Backbone interact. energy: -2.461 local terms energy: -511.752690 where: bonds (distance) C4'-P energy: -97.561 bonds (distance) P-C4' energy: -98.022 flat angles C4'-P-C4' energy: -101.645 flat angles P-C4'-P energy: -76.843 tors. eta vs tors. theta energy: -137.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -1634.989485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.989485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.989485 (E_RNA) where: Base-Base interactions energy: -1150.703 where: short stacking energy: -466.062 Base-Backbone interact. energy: -0.717 local terms energy: -483.569236 where: bonds (distance) C4'-P energy: -95.851 bonds (distance) P-C4' energy: -65.359 flat angles C4'-P-C4' energy: -110.999 flat angles P-C4'-P energy: -69.529 tors. eta vs tors. theta energy: -141.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1524.725425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.725425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.725425 (E_RNA) where: Base-Base interactions energy: -1050.915 where: short stacking energy: -412.481 Base-Backbone interact. energy: -0.855 local terms energy: -472.954856 where: bonds (distance) C4'-P energy: -82.316 bonds (distance) P-C4' energy: -96.634 flat angles C4'-P-C4' energy: -96.225 flat angles P-C4'-P energy: -62.957 tors. eta vs tors. theta energy: -134.822 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: 2 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1334.381315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.381315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.381315 (E_RNA) where: Base-Base interactions energy: -911.911 where: short stacking energy: -378.279 Base-Backbone interact. energy: 1.951 local terms energy: -424.421929 where: bonds (distance) C4'-P energy: -81.870 bonds (distance) P-C4' energy: -85.096 flat angles C4'-P-C4' energy: -103.275 flat angles P-C4'-P energy: -58.811 tors. eta vs tors. theta energy: -95.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1292.440057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.440057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.440057 (E_RNA) where: Base-Base interactions energy: -879.731 where: short stacking energy: -349.289 Base-Backbone interact. energy: -0.564 local terms energy: -412.144995 where: bonds (distance) C4'-P energy: -80.305 bonds (distance) P-C4' energy: -83.353 flat angles C4'-P-C4' energy: -93.009 flat angles P-C4'-P energy: -59.481 tors. eta vs tors. theta energy: -95.997 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: 6 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -1071.522279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.522279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.522279 (E_RNA) where: Base-Base interactions energy: -724.982 where: short stacking energy: -322.282 Base-Backbone interact. energy: -1.059 local terms energy: -345.481514 where: bonds (distance) C4'-P energy: -75.599 bonds (distance) P-C4' energy: -63.442 flat angles C4'-P-C4' energy: -84.072 flat angles P-C4'-P energy: -51.555 tors. eta vs tors. theta energy: -70.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -827.859314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.859314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.859314 (E_RNA) where: Base-Base interactions energy: -518.841 where: short stacking energy: -226.826 Base-Backbone interact. energy: -1.828 local terms energy: -307.190039 where: bonds (distance) C4'-P energy: -70.977 bonds (distance) P-C4' energy: -78.550 flat angles C4'-P-C4' energy: -68.259 flat angles P-C4'-P energy: -48.001 tors. eta vs tors. theta energy: -41.402 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: 4 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1889.550841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.550841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.550841 (E_RNA) where: Base-Base interactions energy: -1332.697 where: short stacking energy: -536.647 Base-Backbone interact. energy: -0.654 local terms energy: -556.199640 where: bonds (distance) C4'-P energy: -103.326 bonds (distance) P-C4' energy: -100.709 flat angles C4'-P-C4' energy: -111.465 flat angles P-C4'-P energy: -77.937 tors. eta vs tors. theta energy: -162.764 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: 2, replica: 3 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1812.923985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.923985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.923985 (E_RNA) where: Base-Base interactions energy: -1266.467 where: short stacking energy: -530.988 Base-Backbone interact. energy: -1.509 local terms energy: -544.948376 where: bonds (distance) C4'-P energy: -87.762 bonds (distance) P-C4' energy: -99.195 flat angles C4'-P-C4' energy: -111.032 flat angles P-C4'-P energy: -81.538 tors. eta vs tors. theta energy: -165.422 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: 9 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1738.402404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.402404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.402404 (E_RNA) where: Base-Base interactions energy: -1238.767 where: short stacking energy: -472.152 Base-Backbone interact. energy: -2.158 local terms energy: -497.477143 where: bonds (distance) C4'-P energy: -86.313 bonds (distance) P-C4' energy: -87.984 flat angles C4'-P-C4' energy: -112.659 flat angles P-C4'-P energy: -65.999 tors. eta vs tors. theta energy: -144.523 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: 4, replica: 1 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1634.293538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.293538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.293538 (E_RNA) where: Base-Base interactions energy: -1137.643 where: short stacking energy: -463.582 Base-Backbone interact. energy: 1.373 local terms energy: -498.023959 where: bonds (distance) C4'-P energy: -82.048 bonds (distance) P-C4' energy: -90.766 flat angles C4'-P-C4' energy: -108.794 flat angles P-C4'-P energy: -73.886 tors. eta vs tors. theta energy: -142.529 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: 8 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -1578.667085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.667085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.667085 (E_RNA) where: Base-Base interactions energy: -1094.378 where: short stacking energy: -454.991 Base-Backbone interact. energy: -0.670 local terms energy: -483.618983 where: bonds (distance) C4'-P energy: -89.385 bonds (distance) P-C4' energy: -98.956 flat angles C4'-P-C4' energy: -107.242 flat angles P-C4'-P energy: -55.213 tors. eta vs tors. theta energy: -132.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1520.801388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.801388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.801388 (E_RNA) where: Base-Base interactions energy: -1081.716 where: short stacking energy: -428.764 Base-Backbone interact. energy: -1.630 local terms energy: -437.455873 where: bonds (distance) C4'-P energy: -69.878 bonds (distance) P-C4' energy: -86.954 flat angles C4'-P-C4' energy: -94.499 flat angles P-C4'-P energy: -63.008 tors. eta vs tors. theta energy: -123.118 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: 2 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1359.752162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.752162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.752162 (E_RNA) where: Base-Base interactions energy: -938.819 where: short stacking energy: -386.603 Base-Backbone interact. energy: 0.595 local terms energy: -421.527668 where: bonds (distance) C4'-P energy: -77.028 bonds (distance) P-C4' energy: -90.678 flat angles C4'-P-C4' energy: -97.480 flat angles P-C4'-P energy: -59.559 tors. eta vs tors. theta energy: -96.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1267.781124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.781124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.781124 (E_RNA) where: Base-Base interactions energy: -864.262 where: short stacking energy: -364.410 Base-Backbone interact. energy: 0.002 local terms energy: -403.521625 where: bonds (distance) C4'-P energy: -75.775 bonds (distance) P-C4' energy: -67.321 flat angles C4'-P-C4' energy: -91.869 flat angles P-C4'-P energy: -63.609 tors. eta vs tors. theta energy: -104.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -1089.026052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.026052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.026052 (E_RNA) where: Base-Base interactions energy: -724.596 where: short stacking energy: -322.044 Base-Backbone interact. energy: 0.998 local terms energy: -365.427709 where: bonds (distance) C4'-P energy: -79.604 bonds (distance) P-C4' energy: -67.893 flat angles C4'-P-C4' energy: -86.035 flat angles P-C4'-P energy: -48.914 tors. eta vs tors. theta energy: -82.981 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: 10, replica: 7 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -927.732588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.732588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.732588 (E_RNA) where: Base-Base interactions energy: -600.382 where: short stacking energy: -252.733 Base-Backbone interact. energy: 1.135 local terms energy: -328.485012 where: bonds (distance) C4'-P energy: -67.701 bonds (distance) P-C4' energy: -88.467 flat angles C4'-P-C4' energy: -69.271 flat angles P-C4'-P energy: -54.044 tors. eta vs tors. theta energy: -49.002 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: 4 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1903.819319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.819319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.819319 (E_RNA) where: Base-Base interactions energy: -1363.041 where: short stacking energy: -526.426 Base-Backbone interact. energy: -1.342 local terms energy: -539.436916 where: bonds (distance) C4'-P energy: -83.004 bonds (distance) P-C4' energy: -99.103 flat angles C4'-P-C4' energy: -116.771 flat angles P-C4'-P energy: -75.520 tors. eta vs tors. theta energy: -165.040 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: 3 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -1814.845304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.845304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.845304 (E_RNA) where: Base-Base interactions energy: -1267.858 where: short stacking energy: -516.138 Base-Backbone interact. energy: -2.719 local terms energy: -544.268701 where: bonds (distance) C4'-P energy: -93.369 bonds (distance) P-C4' energy: -88.864 flat angles C4'-P-C4' energy: -115.438 flat angles P-C4'-P energy: -83.898 tors. eta vs tors. theta energy: -162.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1757.823975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.823975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.823975 (E_RNA) where: Base-Base interactions energy: -1239.244 where: short stacking energy: -493.224 Base-Backbone interact. energy: -0.548 local terms energy: -518.031531 where: bonds (distance) C4'-P energy: -81.973 bonds (distance) P-C4' energy: -99.367 flat angles C4'-P-C4' energy: -105.962 flat angles P-C4'-P energy: -82.846 tors. eta vs tors. theta energy: -147.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1659.280934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.280934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.280934 (E_RNA) where: Base-Base interactions energy: -1143.982 where: short stacking energy: -448.923 Base-Backbone interact. energy: -0.200 local terms energy: -515.098804 where: bonds (distance) C4'-P energy: -84.240 bonds (distance) P-C4' energy: -95.613 flat angles C4'-P-C4' energy: -110.755 flat angles P-C4'-P energy: -77.461 tors. eta vs tors. theta energy: -147.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -1590.318477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.318477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.318477 (E_RNA) where: Base-Base interactions energy: -1108.448 where: short stacking energy: -452.706 Base-Backbone interact. energy: -2.461 local terms energy: -479.408590 where: bonds (distance) C4'-P energy: -88.981 bonds (distance) P-C4' energy: -91.080 flat angles C4'-P-C4' energy: -101.436 flat angles P-C4'-P energy: -71.294 tors. eta vs tors. theta energy: -126.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1479.684068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.684068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.684068 (E_RNA) where: Base-Base interactions energy: -1016.665 where: short stacking energy: -406.061 Base-Backbone interact. energy: -0.907 local terms energy: -462.112419 where: bonds (distance) C4'-P energy: -81.655 bonds (distance) P-C4' energy: -90.734 flat angles C4'-P-C4' energy: -94.133 flat angles P-C4'-P energy: -73.185 tors. eta vs tors. theta energy: -122.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1366.477757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.477757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.477757 (E_RNA) where: Base-Base interactions energy: -930.248 where: short stacking energy: -394.809 Base-Backbone interact. energy: 2.079 local terms energy: -438.308906 where: bonds (distance) C4'-P energy: -75.033 bonds (distance) P-C4' energy: -84.360 flat angles C4'-P-C4' energy: -94.457 flat angles P-C4'-P energy: -68.302 tors. eta vs tors. theta energy: -116.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1288.817383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.817383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.817383 (E_RNA) where: Base-Base interactions energy: -867.369 where: short stacking energy: -362.715 Base-Backbone interact. energy: 5.440 local terms energy: -426.889263 where: bonds (distance) C4'-P energy: -83.817 bonds (distance) P-C4' energy: -89.283 flat angles C4'-P-C4' energy: -88.552 flat angles P-C4'-P energy: -68.692 tors. eta vs tors. theta energy: -96.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -1067.215133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.215133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.215133 (E_RNA) where: Base-Base interactions energy: -723.272 where: short stacking energy: -307.426 Base-Backbone interact. energy: -1.672 local terms energy: -342.271425 where: bonds (distance) C4'-P energy: -69.749 bonds (distance) P-C4' energy: -80.341 flat angles C4'-P-C4' energy: -79.522 flat angles P-C4'-P energy: -44.435 tors. eta vs tors. theta energy: -68.223 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: 7 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -975.411695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.411695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.411695 (E_RNA) where: Base-Base interactions energy: -644.508 where: short stacking energy: -259.735 Base-Backbone interact. energy: 2.968 local terms energy: -333.870997 where: bonds (distance) C4'-P energy: -87.975 bonds (distance) P-C4' energy: -69.826 flat angles C4'-P-C4' energy: -73.829 flat angles P-C4'-P energy: -43.524 tors. eta vs tors. theta energy: -58.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1899.986706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.986706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.986706 (E_RNA) where: Base-Base interactions energy: -1347.339 where: short stacking energy: -524.440 Base-Backbone interact. energy: -2.560 local terms energy: -550.087888 where: bonds (distance) C4'-P energy: -104.792 bonds (distance) P-C4' energy: -88.196 flat angles C4'-P-C4' energy: -111.955 flat angles P-C4'-P energy: -84.600 tors. eta vs tors. theta energy: -160.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1803.783541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.783541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.783541 (E_RNA) where: Base-Base interactions energy: -1265.829 where: short stacking energy: -515.760 Base-Backbone interact. energy: -0.376 local terms energy: -537.578827 where: bonds (distance) C4'-P energy: -90.718 bonds (distance) P-C4' energy: -93.910 flat angles C4'-P-C4' energy: -112.851 flat angles P-C4'-P energy: -78.282 tors. eta vs tors. theta energy: -161.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1769.045449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.045449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.045449 (E_RNA) where: Base-Base interactions energy: -1229.175 where: short stacking energy: -505.359 Base-Backbone interact. energy: -1.604 local terms energy: -538.266015 where: bonds (distance) C4'-P energy: -102.420 bonds (distance) P-C4' energy: -84.850 flat angles C4'-P-C4' energy: -108.205 flat angles P-C4'-P energy: -70.095 tors. eta vs tors. theta energy: -172.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1656.229959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.229959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.229959 (E_RNA) where: Base-Base interactions energy: -1162.150 where: short stacking energy: -483.994 Base-Backbone interact. energy: -1.813 local terms energy: -492.267173 where: bonds (distance) C4'-P energy: -84.179 bonds (distance) P-C4' energy: -84.146 flat angles C4'-P-C4' energy: -105.419 flat angles P-C4'-P energy: -62.689 tors. eta vs tors. theta energy: -155.834 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: 8 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1587.569764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.569764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.569764 (E_RNA) where: Base-Base interactions energy: -1104.011 where: short stacking energy: -483.586 Base-Backbone interact. energy: -1.177 local terms energy: -482.382170 where: bonds (distance) C4'-P energy: -82.594 bonds (distance) P-C4' energy: -75.847 flat angles C4'-P-C4' energy: -103.186 flat angles P-C4'-P energy: -72.928 tors. eta vs tors. theta energy: -147.827 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: 5 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1475.108310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.108310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.108310 (E_RNA) where: Base-Base interactions energy: -1039.197 where: short stacking energy: -420.451 Base-Backbone interact. energy: -1.200 local terms energy: -434.711746 where: bonds (distance) C4'-P energy: -64.140 bonds (distance) P-C4' energy: -87.560 flat angles C4'-P-C4' energy: -102.368 flat angles P-C4'-P energy: -65.731 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: 7, replica: 2 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1359.239408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.239408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.239408 (E_RNA) where: Base-Base interactions energy: -907.759 where: short stacking energy: -377.622 Base-Backbone interact. energy: -2.582 local terms energy: -448.898285 where: bonds (distance) C4'-P energy: -79.512 bonds (distance) P-C4' energy: -79.146 flat angles C4'-P-C4' energy: -98.862 flat angles P-C4'-P energy: -69.505 tors. eta vs tors. theta energy: -121.873 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: 10 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1262.566586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.566586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.566586 (E_RNA) where: Base-Base interactions energy: -860.299 where: short stacking energy: -361.594 Base-Backbone interact. energy: 1.788 local terms energy: -404.055014 where: bonds (distance) C4'-P energy: -69.826 bonds (distance) P-C4' energy: -85.517 flat angles C4'-P-C4' energy: -83.409 flat angles P-C4'-P energy: -60.593 tors. eta vs tors. theta energy: -104.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -1077.692015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.692015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.692015 (E_RNA) where: Base-Base interactions energy: -722.634 where: short stacking energy: -312.653 Base-Backbone interact. energy: -2.244 local terms energy: -352.814431 where: bonds (distance) C4'-P energy: -71.826 bonds (distance) P-C4' energy: -80.116 flat angles C4'-P-C4' energy: -88.610 flat angles P-C4'-P energy: -33.656 tors. eta vs tors. theta energy: -78.608 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: 7 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -1020.967369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.967369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.967369 (E_RNA) where: Base-Base interactions energy: -639.820 where: short stacking energy: -265.240 Base-Backbone interact. energy: -0.249 local terms energy: -380.897583 where: bonds (distance) C4'-P energy: -74.419 bonds (distance) P-C4' energy: -97.002 flat angles C4'-P-C4' energy: -96.413 flat angles P-C4'-P energy: -45.778 tors. eta vs tors. theta energy: -67.287 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: 4 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1905.014454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.014454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.014454 (E_RNA) where: Base-Base interactions energy: -1354.998 where: short stacking energy: -540.638 Base-Backbone interact. energy: -1.981 local terms energy: -548.035149 where: bonds (distance) C4'-P energy: -96.616 bonds (distance) P-C4' energy: -97.385 flat angles C4'-P-C4' energy: -113.235 flat angles P-C4'-P energy: -73.262 tors. eta vs tors. theta energy: -167.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1806.950886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.950886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.950886 (E_RNA) where: Base-Base interactions energy: -1264.394 where: short stacking energy: -503.965 Base-Backbone interact. energy: -0.329 local terms energy: -542.228617 where: bonds (distance) C4'-P energy: -96.252 bonds (distance) P-C4' energy: -97.402 flat angles C4'-P-C4' energy: -108.549 flat angles P-C4'-P energy: -78.610 tors. eta vs tors. theta energy: -161.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1757.997034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.997034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.997034 (E_RNA) where: Base-Base interactions energy: -1248.319 where: short stacking energy: -514.858 Base-Backbone interact. energy: -1.670 local terms energy: -508.007937 where: bonds (distance) C4'-P energy: -79.111 bonds (distance) P-C4' energy: -93.796 flat angles C4'-P-C4' energy: -108.238 flat angles P-C4'-P energy: -70.280 tors. eta vs tors. theta energy: -156.582 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: 1 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1645.680586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.680586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.680586 (E_RNA) where: Base-Base interactions energy: -1144.674 where: short stacking energy: -479.037 Base-Backbone interact. energy: -0.230 local terms energy: -500.776555 where: bonds (distance) C4'-P energy: -87.715 bonds (distance) P-C4' energy: -82.775 flat angles C4'-P-C4' energy: -112.546 flat angles P-C4'-P energy: -69.879 tors. eta vs tors. theta energy: -147.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -1602.778631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.778631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.778631 (E_RNA) where: Base-Base interactions energy: -1126.285 where: short stacking energy: -463.825 Base-Backbone interact. energy: -0.500 local terms energy: -475.993452 where: bonds (distance) C4'-P energy: -69.530 bonds (distance) P-C4' energy: -84.688 flat angles C4'-P-C4' energy: -105.003 flat angles P-C4'-P energy: -67.142 tors. eta vs tors. theta energy: -149.630 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: 5 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1494.087946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.087946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.087946 (E_RNA) where: Base-Base interactions energy: -1027.249 where: short stacking energy: -414.416 Base-Backbone interact. energy: -1.141 local terms energy: -465.698482 where: bonds (distance) C4'-P energy: -90.501 bonds (distance) P-C4' energy: -90.913 flat angles C4'-P-C4' energy: -91.595 flat angles P-C4'-P energy: -66.925 tors. eta vs tors. theta energy: -125.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1362.988023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.988023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.988023 (E_RNA) where: Base-Base interactions energy: -938.039 where: short stacking energy: -400.612 Base-Backbone interact. energy: 2.347 local terms energy: -427.296432 where: bonds (distance) C4'-P energy: -75.990 bonds (distance) P-C4' energy: -86.072 flat angles C4'-P-C4' energy: -100.194 flat angles P-C4'-P energy: -57.586 tors. eta vs tors. theta energy: -107.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1250.877635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.877635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.877635 (E_RNA) where: Base-Base interactions energy: -840.223 where: short stacking energy: -343.969 Base-Backbone interact. energy: -0.797 local terms energy: -409.857665 where: bonds (distance) C4'-P energy: -76.166 bonds (distance) P-C4' energy: -81.847 flat angles C4'-P-C4' energy: -97.303 flat angles P-C4'-P energy: -62.338 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: 9, replica: 6 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -1071.964430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.964430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.964430 (E_RNA) where: Base-Base interactions energy: -720.221 where: short stacking energy: -306.242 Base-Backbone interact. energy: -1.791 local terms energy: -349.952103 where: bonds (distance) C4'-P energy: -68.648 bonds (distance) P-C4' energy: -85.122 flat angles C4'-P-C4' energy: -91.068 flat angles P-C4'-P energy: -36.099 tors. eta vs tors. theta energy: -69.016 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: 10, replica: 7 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -980.423207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.423207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.423207 (E_RNA) where: Base-Base interactions energy: -634.657 where: short stacking energy: -277.645 Base-Backbone interact. energy: -0.589 local terms energy: -345.176480 where: bonds (distance) C4'-P energy: -85.732 bonds (distance) P-C4' energy: -71.770 flat angles C4'-P-C4' energy: -77.154 flat angles P-C4'-P energy: -40.946 tors. eta vs tors. theta energy: -69.575 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: 4 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1887.981532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.981532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.981532 (E_RNA) where: Base-Base interactions energy: -1344.759 where: short stacking energy: -533.149 Base-Backbone interact. energy: -1.402 local terms energy: -541.820139 where: bonds (distance) C4'-P energy: -98.726 bonds (distance) P-C4' energy: -94.796 flat angles C4'-P-C4' energy: -104.383 flat angles P-C4'-P energy: -83.421 tors. eta vs tors. theta energy: -160.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1785.675694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.675694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.675694 (E_RNA) where: Base-Base interactions energy: -1270.440 where: short stacking energy: -519.926 Base-Backbone interact. energy: 0.577 local terms energy: -515.812673 where: bonds (distance) C4'-P energy: -85.713 bonds (distance) P-C4' energy: -91.922 flat angles C4'-P-C4' energy: -108.201 flat angles P-C4'-P energy: -71.406 tors. eta vs tors. theta energy: -158.570 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: 9 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1776.990642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.990642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.990642 (E_RNA) where: Base-Base interactions energy: -1231.035 where: short stacking energy: -502.691 Base-Backbone interact. energy: 1.060 local terms energy: -547.015018 where: bonds (distance) C4'-P energy: -100.123 bonds (distance) P-C4' energy: -92.967 flat angles C4'-P-C4' energy: -118.748 flat angles P-C4'-P energy: -80.043 tors. eta vs tors. theta energy: -155.134 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: 8 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1626.941677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.941677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.941677 (E_RNA) where: Base-Base interactions energy: -1115.981 where: short stacking energy: -460.733 Base-Backbone interact. energy: -1.716 local terms energy: -509.244867 where: bonds (distance) C4'-P energy: -95.948 bonds (distance) P-C4' energy: -103.670 flat angles C4'-P-C4' energy: -103.664 flat angles P-C4'-P energy: -71.409 tors. eta vs tors. theta energy: -134.553 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: 1 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1610.919375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.919375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.919375 (E_RNA) where: Base-Base interactions energy: -1128.842 where: short stacking energy: -470.729 Base-Backbone interact. energy: -2.592 local terms energy: -479.485637 where: bonds (distance) C4'-P energy: -66.648 bonds (distance) P-C4' energy: -89.340 flat angles C4'-P-C4' energy: -106.491 flat angles P-C4'-P energy: -72.122 tors. eta vs tors. theta energy: -144.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1494.297306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.297306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.297306 (E_RNA) where: Base-Base interactions energy: -1058.953 where: short stacking energy: -426.560 Base-Backbone interact. energy: -0.191 local terms energy: -435.153908 where: bonds (distance) C4'-P energy: -81.399 bonds (distance) P-C4' energy: -76.564 flat angles C4'-P-C4' energy: -101.856 flat angles P-C4'-P energy: -57.695 tors. eta vs tors. theta energy: -117.639 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: 2 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1296.057165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.057165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.057165 (E_RNA) where: Base-Base interactions energy: -858.840 where: short stacking energy: -367.719 Base-Backbone interact. energy: -1.214 local terms energy: -436.002467 where: bonds (distance) C4'-P energy: -85.033 bonds (distance) P-C4' energy: -75.467 flat angles C4'-P-C4' energy: -92.437 flat angles P-C4'-P energy: -70.077 tors. eta vs tors. theta energy: -112.988 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: 10 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1259.930492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.930492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.930492 (E_RNA) where: Base-Base interactions energy: -879.057 where: short stacking energy: -393.163 Base-Backbone interact. energy: 0.340 local terms energy: -381.213315 where: bonds (distance) C4'-P energy: -72.744 bonds (distance) P-C4' energy: -66.725 flat angles C4'-P-C4' energy: -92.100 flat angles P-C4'-P energy: -50.183 tors. eta vs tors. theta energy: -99.461 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: 6 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -1097.139768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.139768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.139768 (E_RNA) where: Base-Base interactions energy: -711.989 where: short stacking energy: -291.356 Base-Backbone interact. energy: -1.461 local terms energy: -383.689795 where: bonds (distance) C4'-P energy: -70.091 bonds (distance) P-C4' energy: -91.436 flat angles C4'-P-C4' energy: -88.732 flat angles P-C4'-P energy: -58.625 tors. eta vs tors. theta energy: -74.806 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: 7 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -974.929495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.929495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.929495 (E_RNA) where: Base-Base interactions energy: -643.504 where: short stacking energy: -260.564 Base-Backbone interact. energy: 4.343 local terms energy: -335.767839 where: bonds (distance) C4'-P energy: -66.040 bonds (distance) P-C4' energy: -65.939 flat angles C4'-P-C4' energy: -88.478 flat angles P-C4'-P energy: -50.308 tors. eta vs tors. theta energy: -65.003 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: 4 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1895.961864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.961864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.961864 (E_RNA) where: Base-Base interactions energy: -1343.422 where: short stacking energy: -537.982 Base-Backbone interact. energy: -1.492 local terms energy: -551.047733 where: bonds (distance) C4'-P energy: -84.568 bonds (distance) P-C4' energy: -107.635 flat angles C4'-P-C4' energy: -113.355 flat angles P-C4'-P energy: -77.100 tors. eta vs tors. theta energy: -168.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1768.071322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.071322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.071322 (E_RNA) where: Base-Base interactions energy: -1257.767 where: short stacking energy: -519.157 Base-Backbone interact. energy: -0.124 local terms energy: -510.180826 where: bonds (distance) C4'-P energy: -84.658 bonds (distance) P-C4' energy: -84.885 flat angles C4'-P-C4' energy: -114.021 flat angles P-C4'-P energy: -76.234 tors. eta vs tors. theta energy: -150.384 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: 9 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1773.381791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.381791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.381791 (E_RNA) where: Base-Base interactions energy: -1251.765 where: short stacking energy: -489.439 Base-Backbone interact. energy: -0.460 local terms energy: -521.156834 where: bonds (distance) C4'-P energy: -84.713 bonds (distance) P-C4' energy: -96.189 flat angles C4'-P-C4' energy: -109.432 flat angles P-C4'-P energy: -72.862 tors. eta vs tors. theta energy: -157.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1623.388283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.388283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.388283 (E_RNA) where: Base-Base interactions energy: -1113.030 where: short stacking energy: -472.734 Base-Backbone interact. energy: -0.523 local terms energy: -509.834939 where: bonds (distance) C4'-P energy: -95.524 bonds (distance) P-C4' energy: -90.241 flat angles C4'-P-C4' energy: -107.098 flat angles P-C4'-P energy: -77.720 tors. eta vs tors. theta energy: -139.252 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: 1 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1644.379259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.379259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.379259 (E_RNA) where: Base-Base interactions energy: -1132.272 where: short stacking energy: -467.620 Base-Backbone interact. energy: -1.910 local terms energy: -510.196901 where: bonds (distance) C4'-P energy: -87.330 bonds (distance) P-C4' energy: -105.021 flat angles C4'-P-C4' energy: -103.025 flat angles P-C4'-P energy: -75.282 tors. eta vs tors. theta energy: -139.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1490.063561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.063561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.063561 (E_RNA) where: Base-Base interactions energy: -1020.451 where: short stacking energy: -400.963 Base-Backbone interact. energy: -1.701 local terms energy: -467.911525 where: bonds (distance) C4'-P energy: -86.382 bonds (distance) P-C4' energy: -98.018 flat angles C4'-P-C4' energy: -100.772 flat angles P-C4'-P energy: -59.031 tors. eta vs tors. theta energy: -123.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1338.070742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.070742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.070742 (E_RNA) where: Base-Base interactions energy: -918.856 where: short stacking energy: -368.927 Base-Backbone interact. energy: -1.236 local terms energy: -417.979456 where: bonds (distance) C4'-P energy: -85.802 bonds (distance) P-C4' energy: -86.930 flat angles C4'-P-C4' energy: -94.060 flat angles P-C4'-P energy: -53.066 tors. eta vs tors. theta energy: -98.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1280.031606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.031606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.031606 (E_RNA) where: Base-Base interactions energy: -885.821 where: short stacking energy: -358.323 Base-Backbone interact. energy: -0.720 local terms energy: -393.491403 where: bonds (distance) C4'-P energy: -75.501 bonds (distance) P-C4' energy: -62.180 flat angles C4'-P-C4' energy: -97.094 flat angles P-C4'-P energy: -59.563 tors. eta vs tors. theta energy: -99.153 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: 6 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -1121.235047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.235047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.235047 (E_RNA) where: Base-Base interactions energy: -735.383 where: short stacking energy: -306.160 Base-Backbone interact. energy: -0.619 local terms energy: -385.233188 where: bonds (distance) C4'-P energy: -72.977 bonds (distance) P-C4' energy: -85.875 flat angles C4'-P-C4' energy: -86.787 flat angles P-C4'-P energy: -61.882 tors. eta vs tors. theta energy: -77.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -985.899705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.899705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.899705 (E_RNA) where: Base-Base interactions energy: -643.396 where: short stacking energy: -269.235 Base-Backbone interact. energy: -1.322 local terms energy: -341.182276 where: bonds (distance) C4'-P energy: -68.953 bonds (distance) P-C4' energy: -77.080 flat angles C4'-P-C4' energy: -81.594 flat angles P-C4'-P energy: -53.654 tors. eta vs tors. theta energy: -59.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1902.532481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.532481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.532481 (E_RNA) where: Base-Base interactions energy: -1357.257 where: short stacking energy: -548.965 Base-Backbone interact. energy: -0.878 local terms energy: -544.397578 where: bonds (distance) C4'-P energy: -97.671 bonds (distance) P-C4' energy: -85.544 flat angles C4'-P-C4' energy: -114.260 flat angles P-C4'-P energy: -75.995 tors. eta vs tors. theta energy: -170.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1770.201685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.201685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.201685 (E_RNA) where: Base-Base interactions energy: -1235.715 where: short stacking energy: -512.631 Base-Backbone interact. energy: -1.346 local terms energy: -533.139799 where: bonds (distance) C4'-P energy: -90.585 bonds (distance) P-C4' energy: -91.546 flat angles C4'-P-C4' energy: -112.339 flat angles P-C4'-P energy: -81.517 tors. eta vs tors. theta energy: -157.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -1765.212179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.212179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.212179 (E_RNA) where: Base-Base interactions energy: -1234.745 where: short stacking energy: -491.355 Base-Backbone interact. energy: -0.381 local terms energy: -530.086420 where: bonds (distance) C4'-P energy: -95.803 bonds (distance) P-C4' energy: -94.587 flat angles C4'-P-C4' energy: -113.686 flat angles P-C4'-P energy: -77.103 tors. eta vs tors. theta energy: -148.907 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: 1 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1653.562424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.562424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.562424 (E_RNA) where: Base-Base interactions energy: -1153.169 where: short stacking energy: -469.833 Base-Backbone interact. energy: -0.576 local terms energy: -499.817343 where: bonds (distance) C4'-P energy: -78.053 bonds (distance) P-C4' energy: -87.860 flat angles C4'-P-C4' energy: -101.825 flat angles P-C4'-P energy: -90.215 tors. eta vs tors. theta energy: -141.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -1568.572079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.572079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.572079 (E_RNA) where: Base-Base interactions energy: -1099.389 where: short stacking energy: -458.600 Base-Backbone interact. energy: 0.214 local terms energy: -469.397724 where: bonds (distance) C4'-P energy: -87.395 bonds (distance) P-C4' energy: -82.099 flat angles C4'-P-C4' energy: -96.550 flat angles P-C4'-P energy: -63.999 tors. eta vs tors. theta energy: -139.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1509.648140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.648140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.648140 (E_RNA) where: Base-Base interactions energy: -1058.377 where: short stacking energy: -436.940 Base-Backbone interact. energy: -0.903 local terms energy: -450.368169 where: bonds (distance) C4'-P energy: -84.784 bonds (distance) P-C4' energy: -73.394 flat angles C4'-P-C4' energy: -94.442 flat angles P-C4'-P energy: -68.088 tors. eta vs tors. theta energy: -129.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1360.331104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.331104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.331104 (E_RNA) where: Base-Base interactions energy: -929.612 where: short stacking energy: -379.994 Base-Backbone interact. energy: -1.850 local terms energy: -428.868278 where: bonds (distance) C4'-P energy: -86.162 bonds (distance) P-C4' energy: -91.999 flat angles C4'-P-C4' energy: -82.002 flat angles P-C4'-P energy: -71.308 tors. eta vs tors. theta energy: -97.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1253.976322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.976322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.976322 (E_RNA) where: Base-Base interactions energy: -871.600 where: short stacking energy: -347.945 Base-Backbone interact. energy: 1.160 local terms energy: -383.536632 where: bonds (distance) C4'-P energy: -72.794 bonds (distance) P-C4' energy: -83.815 flat angles C4'-P-C4' energy: -80.302 flat angles P-C4'-P energy: -57.174 tors. eta vs tors. theta energy: -89.451 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: 6 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -1082.056585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.056585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.056585 (E_RNA) where: Base-Base interactions energy: -716.759 where: short stacking energy: -315.138 Base-Backbone interact. energy: -0.027 local terms energy: -365.269737 where: bonds (distance) C4'-P energy: -70.236 bonds (distance) P-C4' energy: -90.320 flat angles C4'-P-C4' energy: -76.077 flat angles P-C4'-P energy: -50.756 tors. eta vs tors. theta energy: -77.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -1017.269378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.269378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.269378 (E_RNA) where: Base-Base interactions energy: -673.969 where: short stacking energy: -296.225 Base-Backbone interact. energy: 1.462 local terms energy: -344.761887 where: bonds (distance) C4'-P energy: -83.975 bonds (distance) P-C4' energy: -81.880 flat angles C4'-P-C4' energy: -73.253 flat angles P-C4'-P energy: -40.218 tors. eta vs tors. theta energy: -65.435 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: 1, replica: 4 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1880.390976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.390976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.390976 (E_RNA) where: Base-Base interactions energy: -1340.351 where: short stacking energy: -531.014 Base-Backbone interact. energy: -1.286 local terms energy: -538.754117 where: bonds (distance) C4'-P energy: -87.480 bonds (distance) P-C4' energy: -102.499 flat angles C4'-P-C4' energy: -113.139 flat angles P-C4'-P energy: -67.640 tors. eta vs tors. theta energy: -167.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1795.908780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.908780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.908780 (E_RNA) where: Base-Base interactions energy: -1269.708 where: short stacking energy: -539.444 Base-Backbone interact. energy: -1.105 local terms energy: -525.095760 where: bonds (distance) C4'-P energy: -91.352 bonds (distance) P-C4' energy: -93.465 flat angles C4'-P-C4' energy: -113.916 flat angles P-C4'-P energy: -67.106 tors. eta vs tors. theta energy: -159.257 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: 3, replica: 9 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1776.617356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.617356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.617356 (E_RNA) where: Base-Base interactions energy: -1248.248 where: short stacking energy: -498.258 Base-Backbone interact. energy: 3.171 local terms energy: -531.540743 where: bonds (distance) C4'-P energy: -93.536 bonds (distance) P-C4' energy: -87.967 flat angles C4'-P-C4' energy: -112.453 flat angles P-C4'-P energy: -75.567 tors. eta vs tors. theta energy: -162.019 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: 4, replica: 1 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1634.899612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.899612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.899612 (E_RNA) where: Base-Base interactions energy: -1136.698 where: short stacking energy: -480.235 Base-Backbone interact. energy: -2.682 local terms energy: -495.519555 where: bonds (distance) C4'-P energy: -80.468 bonds (distance) P-C4' energy: -94.674 flat angles C4'-P-C4' energy: -99.955 flat angles P-C4'-P energy: -67.509 tors. eta vs tors. theta energy: -152.914 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: 324 Temperature: 1.100000 Total energy: -1557.115986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.115986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.115986 (E_RNA) where: Base-Base interactions energy: -1067.464 where: short stacking energy: -455.071 Base-Backbone interact. energy: 0.606 local terms energy: -490.257819 where: bonds (distance) C4'-P energy: -74.047 bonds (distance) P-C4' energy: -91.982 flat angles C4'-P-C4' energy: -109.740 flat angles P-C4'-P energy: -75.186 tors. eta vs tors. theta energy: -139.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1492.814794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.814794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.814794 (E_RNA) where: Base-Base interactions energy: -1016.194 where: short stacking energy: -412.543 Base-Backbone interact. energy: -0.524 local terms energy: -476.096659 where: bonds (distance) C4'-P energy: -85.249 bonds (distance) P-C4' energy: -91.608 flat angles C4'-P-C4' energy: -98.101 flat angles P-C4'-P energy: -70.015 tors. eta vs tors. theta energy: -131.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1307.131292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.131292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.131292 (E_RNA) where: Base-Base interactions energy: -873.853 where: short stacking energy: -359.652 Base-Backbone interact. energy: -0.462 local terms energy: -432.815890 where: bonds (distance) C4'-P energy: -77.145 bonds (distance) P-C4' energy: -92.590 flat angles C4'-P-C4' energy: -89.705 flat angles P-C4'-P energy: -64.540 tors. eta vs tors. theta energy: -108.835 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: 10 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1257.021743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.021743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.021743 (E_RNA) where: Base-Base interactions energy: -862.524 where: short stacking energy: -350.448 Base-Backbone interact. energy: 0.120 local terms energy: -394.617869 where: bonds (distance) C4'-P energy: -80.775 bonds (distance) P-C4' energy: -72.683 flat angles C4'-P-C4' energy: -90.536 flat angles P-C4'-P energy: -59.613 tors. eta vs tors. theta energy: -91.011 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: 9, replica: 6 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -1085.044273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.044273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.044273 (E_RNA) where: Base-Base interactions energy: -709.677 where: short stacking energy: -302.489 Base-Backbone interact. energy: -1.707 local terms energy: -373.659661 where: bonds (distance) C4'-P energy: -88.026 bonds (distance) P-C4' energy: -86.178 flat angles C4'-P-C4' energy: -75.952 flat angles P-C4'-P energy: -43.159 tors. eta vs tors. theta energy: -80.345 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: 7 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -1019.674039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.674039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.674039 (E_RNA) where: Base-Base interactions energy: -691.143 where: short stacking energy: -278.882 Base-Backbone interact. energy: -2.917 local terms energy: -325.613760 where: bonds (distance) C4'-P energy: -57.091 bonds (distance) P-C4' energy: -79.622 flat angles C4'-P-C4' energy: -81.176 flat angles P-C4'-P energy: -40.365 tors. eta vs tors. theta energy: -67.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1906.892910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.892910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.892910 (E_RNA) where: Base-Base interactions energy: -1356.964 where: short stacking energy: -541.188 Base-Backbone interact. energy: 2.236 local terms energy: -552.164380 where: bonds (distance) C4'-P energy: -84.960 bonds (distance) P-C4' energy: -102.270 flat angles C4'-P-C4' energy: -114.890 flat angles P-C4'-P energy: -85.184 tors. eta vs tors. theta energy: -164.861 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: 2, replica: 3 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1812.467635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.467635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.467635 (E_RNA) where: Base-Base interactions energy: -1260.248 where: short stacking energy: -517.366 Base-Backbone interact. energy: 0.440 local terms energy: -552.659473 where: bonds (distance) C4'-P energy: -90.036 bonds (distance) P-C4' energy: -109.222 flat angles C4'-P-C4' energy: -109.702 flat angles P-C4'-P energy: -76.453 tors. eta vs tors. theta energy: -167.247 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: 3, replica: 9 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1765.067978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.067978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.067978 (E_RNA) where: Base-Base interactions energy: -1221.094 where: short stacking energy: -492.956 Base-Backbone interact. energy: 0.122 local terms energy: -544.096684 where: bonds (distance) C4'-P energy: -93.270 bonds (distance) P-C4' energy: -108.000 flat angles C4'-P-C4' energy: -113.614 flat angles P-C4'-P energy: -71.060 tors. eta vs tors. theta energy: -158.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1637.511762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.511762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.511762 (E_RNA) where: Base-Base interactions energy: -1113.056 where: short stacking energy: -458.129 Base-Backbone interact. energy: -2.457 local terms energy: -521.999486 where: bonds (distance) C4'-P energy: -90.027 bonds (distance) P-C4' energy: -98.319 flat angles C4'-P-C4' energy: -107.683 flat angles P-C4'-P energy: -77.176 tors. eta vs tors. theta energy: -148.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -1592.248598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.248598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.248598 (E_RNA) where: Base-Base interactions energy: -1080.121 where: short stacking energy: -443.370 Base-Backbone interact. energy: -0.312 local terms energy: -511.816233 where: bonds (distance) C4'-P energy: -96.725 bonds (distance) P-C4' energy: -87.805 flat angles C4'-P-C4' energy: -113.169 flat angles P-C4'-P energy: -73.193 tors. eta vs tors. theta energy: -140.924 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: 5 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -1476.774230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.774230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.774230 (E_RNA) where: Base-Base interactions energy: -1025.568 where: short stacking energy: -423.928 Base-Backbone interact. energy: 1.828 local terms energy: -453.034439 where: bonds (distance) C4'-P energy: -77.810 bonds (distance) P-C4' energy: -86.770 flat angles C4'-P-C4' energy: -91.844 flat angles P-C4'-P energy: -72.858 tors. eta vs tors. theta energy: -123.751 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: 7, replica: 2 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1305.766861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.766861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.766861 (E_RNA) where: Base-Base interactions energy: -880.053 where: short stacking energy: -365.515 Base-Backbone interact. energy: -0.572 local terms energy: -425.142448 where: bonds (distance) C4'-P energy: -75.517 bonds (distance) P-C4' energy: -94.483 flat angles C4'-P-C4' energy: -92.665 flat angles P-C4'-P energy: -52.798 tors. eta vs tors. theta energy: -109.680 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: 10 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1255.161021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.161021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.161021 (E_RNA) where: Base-Base interactions energy: -834.987 where: short stacking energy: -318.616 Base-Backbone interact. energy: -0.815 local terms energy: -419.358625 where: bonds (distance) C4'-P energy: -73.986 bonds (distance) P-C4' energy: -78.977 flat angles C4'-P-C4' energy: -103.789 flat angles P-C4'-P energy: -72.242 tors. eta vs tors. theta energy: -90.364 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: 6 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -1068.252596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.252596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.252596 (E_RNA) where: Base-Base interactions energy: -723.136 where: short stacking energy: -304.827 Base-Backbone interact. energy: -0.601 local terms energy: -344.515949 where: bonds (distance) C4'-P energy: -80.604 bonds (distance) P-C4' energy: -68.838 flat angles C4'-P-C4' energy: -79.651 flat angles P-C4'-P energy: -47.017 tors. eta vs tors. theta energy: -68.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -991.049422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.049422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.049422 (E_RNA) where: Base-Base interactions energy: -642.570 where: short stacking energy: -275.987 Base-Backbone interact. energy: -2.973 local terms energy: -345.506688 where: bonds (distance) C4'-P energy: -83.514 bonds (distance) P-C4' energy: -67.081 flat angles C4'-P-C4' energy: -74.871 flat angles P-C4'-P energy: -62.058 tors. eta vs tors. theta energy: -57.982 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: 1, replica: 4 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1918.297358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.297358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.297358 (E_RNA) where: Base-Base interactions energy: -1356.317 where: short stacking energy: -543.720 Base-Backbone interact. energy: -0.705 local terms energy: -561.275238 where: bonds (distance) C4'-P energy: -96.947 bonds (distance) P-C4' energy: -95.879 flat angles C4'-P-C4' energy: -117.464 flat angles P-C4'-P energy: -77.352 tors. eta vs tors. theta energy: -173.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1799.610865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.610865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.610865 (E_RNA) where: Base-Base interactions energy: -1248.971 where: short stacking energy: -526.660 Base-Backbone interact. energy: 2.267 local terms energy: -552.907275 where: bonds (distance) C4'-P energy: -99.268 bonds (distance) P-C4' energy: -99.078 flat angles C4'-P-C4' energy: -108.269 flat angles P-C4'-P energy: -81.060 tors. eta vs tors. theta energy: -165.232 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: 9 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1788.376281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.376281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.376281 (E_RNA) where: Base-Base interactions energy: -1267.963 where: short stacking energy: -512.023 Base-Backbone interact. energy: -2.363 local terms energy: -518.050325 where: bonds (distance) C4'-P energy: -85.541 bonds (distance) P-C4' energy: -76.527 flat angles C4'-P-C4' energy: -111.825 flat angles P-C4'-P energy: -87.780 tors. eta vs tors. theta energy: -156.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -1647.567131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.567131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.567131 (E_RNA) where: Base-Base interactions energy: -1142.696 where: short stacking energy: -470.669 Base-Backbone interact. energy: 0.608 local terms energy: -505.479405 where: bonds (distance) C4'-P energy: -84.044 bonds (distance) P-C4' energy: -93.059 flat angles C4'-P-C4' energy: -113.837 flat angles P-C4'-P energy: -65.312 tors. eta vs tors. theta energy: -149.228 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: 8 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -1565.516389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.516389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.516389 (E_RNA) where: Base-Base interactions energy: -1092.783 where: short stacking energy: -465.222 Base-Backbone interact. energy: -1.079 local terms energy: -471.654211 where: bonds (distance) C4'-P energy: -77.055 bonds (distance) P-C4' energy: -93.441 flat angles C4'-P-C4' energy: -105.674 flat angles P-C4'-P energy: -57.969 tors. eta vs tors. theta energy: -137.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -1486.255023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.255023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.255023 (E_RNA) where: Base-Base interactions energy: -1048.917 where: short stacking energy: -430.245 Base-Backbone interact. energy: -0.754 local terms energy: -436.584443 where: bonds (distance) C4'-P energy: -76.103 bonds (distance) P-C4' energy: -83.376 flat angles C4'-P-C4' energy: -99.226 flat angles P-C4'-P energy: -64.757 tors. eta vs tors. theta energy: -113.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1295.866539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.866539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.866539 (E_RNA) where: Base-Base interactions energy: -891.014 where: short stacking energy: -365.554 Base-Backbone interact. energy: -1.717 local terms energy: -403.134961 where: bonds (distance) C4'-P energy: -74.624 bonds (distance) P-C4' energy: -82.018 flat angles C4'-P-C4' energy: -87.367 flat angles P-C4'-P energy: -61.833 tors. eta vs tors. theta energy: -97.292 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: 10 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1326.758947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.758947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.758947 (E_RNA) where: Base-Base interactions energy: -897.640 where: short stacking energy: -372.746 Base-Backbone interact. energy: -0.242 local terms energy: -428.877041 where: bonds (distance) C4'-P energy: -97.103 bonds (distance) P-C4' energy: -79.832 flat angles C4'-P-C4' energy: -90.557 flat angles P-C4'-P energy: -57.301 tors. eta vs tors. theta energy: -104.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -1080.502150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.502150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.502150 (E_RNA) where: Base-Base interactions energy: -714.048 where: short stacking energy: -302.280 Base-Backbone interact. energy: 4.646 local terms energy: -371.100828 where: bonds (distance) C4'-P energy: -82.406 bonds (distance) P-C4' energy: -82.001 flat angles C4'-P-C4' energy: -82.221 flat angles P-C4'-P energy: -55.990 tors. eta vs tors. theta energy: -68.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -1023.637768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.637768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.637768 (E_RNA) where: Base-Base interactions energy: -667.881 where: short stacking energy: -292.782 Base-Backbone interact. energy: -2.421 local terms energy: -353.335400 where: bonds (distance) C4'-P energy: -78.640 bonds (distance) P-C4' energy: -85.532 flat angles C4'-P-C4' energy: -68.295 flat angles P-C4'-P energy: -57.057 tors. eta vs tors. theta energy: -63.811 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: 4 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1916.732503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.732503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.732503 (E_RNA) where: Base-Base interactions energy: -1365.333 where: short stacking energy: -543.449 Base-Backbone interact. energy: 2.295 local terms energy: -553.695009 where: bonds (distance) C4'-P energy: -88.664 bonds (distance) P-C4' energy: -97.694 flat angles C4'-P-C4' energy: -116.496 flat angles P-C4'-P energy: -84.813 tors. eta vs tors. theta energy: -166.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1807.949354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.949354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.949354 (E_RNA) where: Base-Base interactions energy: -1279.949 where: short stacking energy: -529.217 Base-Backbone interact. energy: -1.179 local terms energy: -526.821654 where: bonds (distance) C4'-P energy: -77.545 bonds (distance) P-C4' energy: -85.668 flat angles C4'-P-C4' energy: -111.145 flat angles P-C4'-P energy: -76.933 tors. eta vs tors. theta energy: -175.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1766.889007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.889007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.889007 (E_RNA) where: Base-Base interactions energy: -1229.259 where: short stacking energy: -486.745 Base-Backbone interact. energy: -1.273 local terms energy: -536.356537 where: bonds (distance) C4'-P energy: -77.422 bonds (distance) P-C4' energy: -105.883 flat angles C4'-P-C4' energy: -111.737 flat angles P-C4'-P energy: -80.932 tors. eta vs tors. theta energy: -160.382 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: 1 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1660.125245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.125245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.125245 (E_RNA) where: Base-Base interactions energy: -1148.056 where: short stacking energy: -457.417 Base-Backbone interact. energy: -2.135 local terms energy: -509.933882 where: bonds (distance) C4'-P energy: -82.681 bonds (distance) P-C4' energy: -102.999 flat angles C4'-P-C4' energy: -103.960 flat angles P-C4'-P energy: -71.407 tors. eta vs tors. theta energy: -148.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -1545.955111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.955111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.955111 (E_RNA) where: Base-Base interactions energy: -1092.869 where: short stacking energy: -450.501 Base-Backbone interact. energy: -1.887 local terms energy: -451.199126 where: bonds (distance) C4'-P energy: -75.869 bonds (distance) P-C4' energy: -75.128 flat angles C4'-P-C4' energy: -104.164 flat angles P-C4'-P energy: -62.377 tors. eta vs tors. theta energy: -133.661 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: 5 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1489.374978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.374978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.374978 (E_RNA) where: Base-Base interactions energy: -1025.280 where: short stacking energy: -425.697 Base-Backbone interact. energy: 1.097 local terms energy: -465.192312 where: bonds (distance) C4'-P energy: -79.208 bonds (distance) P-C4' energy: -83.157 flat angles C4'-P-C4' energy: -103.615 flat angles P-C4'-P energy: -80.705 tors. eta vs tors. theta energy: -118.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1317.204534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.204534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.204534 (E_RNA) where: Base-Base interactions energy: -907.099 where: short stacking energy: -373.576 Base-Backbone interact. energy: 3.653 local terms energy: -413.757840 where: bonds (distance) C4'-P energy: -70.477 bonds (distance) P-C4' energy: -82.239 flat angles C4'-P-C4' energy: -99.588 flat angles P-C4'-P energy: -52.055 tors. eta vs tors. theta energy: -109.398 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: 10 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1273.793087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.793087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.793087 (E_RNA) where: Base-Base interactions energy: -862.089 where: short stacking energy: -356.912 Base-Backbone interact. energy: 0.978 local terms energy: -412.681340 where: bonds (distance) C4'-P energy: -87.019 bonds (distance) P-C4' energy: -77.349 flat angles C4'-P-C4' energy: -88.162 flat angles P-C4'-P energy: -56.772 tors. eta vs tors. theta energy: -103.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -1096.017178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.017178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.017178 (E_RNA) where: Base-Base interactions energy: -713.320 where: short stacking energy: -302.674 Base-Backbone interact. energy: -0.414 local terms energy: -382.282816 where: bonds (distance) C4'-P energy: -78.348 bonds (distance) P-C4' energy: -90.157 flat angles C4'-P-C4' energy: -80.146 flat angles P-C4'-P energy: -57.509 tors. eta vs tors. theta energy: -76.123 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: 7 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -994.481249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.481249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.481249 (E_RNA) where: Base-Base interactions energy: -664.372 where: short stacking energy: -272.318 Base-Backbone interact. energy: 1.548 local terms energy: -331.656479 where: bonds (distance) C4'-P energy: -85.482 bonds (distance) P-C4' energy: -77.748 flat angles C4'-P-C4' energy: -76.407 flat angles P-C4'-P energy: -34.216 tors. eta vs tors. theta energy: -57.803 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: 1, replica: 4 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1908.197798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.197798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.197798 (E_RNA) where: Base-Base interactions energy: -1369.119 where: short stacking energy: -525.247 Base-Backbone interact. energy: -0.844 local terms energy: -538.235537 where: bonds (distance) C4'-P energy: -90.876 bonds (distance) P-C4' energy: -98.857 flat angles C4'-P-C4' energy: -115.259 flat angles P-C4'-P energy: -72.338 tors. eta vs tors. theta energy: -160.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1792.874305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.874305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.874305 (E_RNA) where: Base-Base interactions energy: -1255.426 where: short stacking energy: -523.865 Base-Backbone interact. energy: -0.868 local terms energy: -536.580787 where: bonds (distance) C4'-P energy: -94.161 bonds (distance) P-C4' energy: -89.481 flat angles C4'-P-C4' energy: -115.636 flat angles P-C4'-P energy: -80.891 tors. eta vs tors. theta energy: -156.412 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: 9 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1767.347392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.347392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.347392 (E_RNA) where: Base-Base interactions energy: -1264.274 where: short stacking energy: -501.687 Base-Backbone interact. energy: 0.122 local terms energy: -503.195300 where: bonds (distance) C4'-P energy: -77.326 bonds (distance) P-C4' energy: -98.718 flat angles C4'-P-C4' energy: -103.277 flat angles P-C4'-P energy: -73.853 tors. eta vs tors. theta energy: -150.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1667.768956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.768956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.768956 (E_RNA) where: Base-Base interactions energy: -1160.351 where: short stacking energy: -450.256 Base-Backbone interact. energy: -1.563 local terms energy: -505.854459 where: bonds (distance) C4'-P energy: -95.519 bonds (distance) P-C4' energy: -85.882 flat angles C4'-P-C4' energy: -108.658 flat angles P-C4'-P energy: -79.141 tors. eta vs tors. theta energy: -136.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -1569.150281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.150281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.150281 (E_RNA) where: Base-Base interactions energy: -1115.885 where: short stacking energy: -464.557 Base-Backbone interact. energy: -0.340 local terms energy: -452.925556 where: bonds (distance) C4'-P energy: -73.979 bonds (distance) P-C4' energy: -80.806 flat angles C4'-P-C4' energy: -102.544 flat angles P-C4'-P energy: -59.878 tors. eta vs tors. theta energy: -135.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1444.074204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.074204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.074204 (E_RNA) where: Base-Base interactions energy: -984.597 where: short stacking energy: -398.453 Base-Backbone interact. energy: -1.317 local terms energy: -458.160341 where: bonds (distance) C4'-P energy: -83.014 bonds (distance) P-C4' energy: -90.533 flat angles C4'-P-C4' energy: -101.048 flat angles P-C4'-P energy: -67.293 tors. eta vs tors. theta energy: -116.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1321.216456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.216456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.216456 (E_RNA) where: Base-Base interactions energy: -886.618 where: short stacking energy: -372.460 Base-Backbone interact. energy: 5.566 local terms energy: -440.163558 where: bonds (distance) C4'-P energy: -96.877 bonds (distance) P-C4' energy: -89.067 flat angles C4'-P-C4' energy: -92.608 flat angles P-C4'-P energy: -51.924 tors. eta vs tors. theta energy: -109.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1255.874566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.874566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.874566 (E_RNA) where: Base-Base interactions energy: -840.204 where: short stacking energy: -368.538 Base-Backbone interact. energy: -1.339 local terms energy: -414.331968 where: bonds (distance) C4'-P energy: -82.102 bonds (distance) P-C4' energy: -85.614 flat angles C4'-P-C4' energy: -89.830 flat angles P-C4'-P energy: -59.896 tors. eta vs tors. theta energy: -96.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -1087.343164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.343164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.343164 (E_RNA) where: Base-Base interactions energy: -695.179 where: short stacking energy: -296.348 Base-Backbone interact. energy: 7.737 local terms energy: -399.900959 where: bonds (distance) C4'-P energy: -84.183 bonds (distance) P-C4' energy: -81.884 flat angles C4'-P-C4' energy: -99.101 flat angles P-C4'-P energy: -58.056 tors. eta vs tors. theta energy: -76.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -992.035177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.035177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.035177 (E_RNA) where: Base-Base interactions energy: -652.268 where: short stacking energy: -277.636 Base-Backbone interact. energy: 0.331 local terms energy: -340.098381 where: bonds (distance) C4'-P energy: -63.905 bonds (distance) P-C4' energy: -82.003 flat angles C4'-P-C4' energy: -70.132 flat angles P-C4'-P energy: -63.707 tors. eta vs tors. theta energy: -60.353 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: 4 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1915.512698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.512698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.512698 (E_RNA) where: Base-Base interactions energy: -1374.968 where: short stacking energy: -528.562 Base-Backbone interact. energy: -3.032 local terms energy: -537.512541 where: bonds (distance) C4'-P energy: -87.405 bonds (distance) P-C4' energy: -99.446 flat angles C4'-P-C4' energy: -107.985 flat angles P-C4'-P energy: -78.053 tors. eta vs tors. theta energy: -164.624 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: 2, replica: 3 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1809.917212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.917212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.917212 (E_RNA) where: Base-Base interactions energy: -1267.489 where: short stacking energy: -518.956 Base-Backbone interact. energy: 0.323 local terms energy: -542.750726 where: bonds (distance) C4'-P energy: -84.248 bonds (distance) P-C4' energy: -93.392 flat angles C4'-P-C4' energy: -113.658 flat angles P-C4'-P energy: -86.367 tors. eta vs tors. theta energy: -165.087 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: 9 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1749.200003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.200003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.200003 (E_RNA) where: Base-Base interactions energy: -1220.562 where: short stacking energy: -484.185 Base-Backbone interact. energy: -3.472 local terms energy: -525.165349 where: bonds (distance) C4'-P energy: -85.232 bonds (distance) P-C4' energy: -88.517 flat angles C4'-P-C4' energy: -117.690 flat angles P-C4'-P energy: -81.656 tors. eta vs tors. theta energy: -152.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1623.896039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.896039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.896039 (E_RNA) where: Base-Base interactions energy: -1128.478 where: short stacking energy: -471.709 Base-Backbone interact. energy: -0.622 local terms energy: -494.795833 where: bonds (distance) C4'-P energy: -86.193 bonds (distance) P-C4' energy: -97.309 flat angles C4'-P-C4' energy: -100.852 flat angles P-C4'-P energy: -61.647 tors. eta vs tors. theta energy: -148.795 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: 1 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -1615.057546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.057546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.057546 (E_RNA) where: Base-Base interactions energy: -1116.227 where: short stacking energy: -461.948 Base-Backbone interact. energy: -0.812 local terms energy: -498.018507 where: bonds (distance) C4'-P energy: -84.106 bonds (distance) P-C4' energy: -93.382 flat angles C4'-P-C4' energy: -108.611 flat angles P-C4'-P energy: -66.288 tors. eta vs tors. theta energy: -145.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1449.061240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.061240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.061240 (E_RNA) where: Base-Base interactions energy: -1000.945 where: short stacking energy: -418.450 Base-Backbone interact. energy: -1.171 local terms energy: -446.945889 where: bonds (distance) C4'-P energy: -91.984 bonds (distance) P-C4' energy: -71.016 flat angles C4'-P-C4' energy: -100.582 flat angles P-C4'-P energy: -59.088 tors. eta vs tors. theta energy: -124.277 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: 10 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1311.194765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.194765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.194765 (E_RNA) where: Base-Base interactions energy: -866.470 where: short stacking energy: -361.304 Base-Backbone interact. energy: -0.741 local terms energy: -443.983916 where: bonds (distance) C4'-P energy: -78.087 bonds (distance) P-C4' energy: -89.309 flat angles C4'-P-C4' energy: -103.483 flat angles P-C4'-P energy: -74.598 tors. eta vs tors. theta energy: -98.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1227.899611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.899611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.899611 (E_RNA) where: Base-Base interactions energy: -827.693 where: short stacking energy: -343.593 Base-Backbone interact. energy: -1.954 local terms energy: -398.252911 where: bonds (distance) C4'-P energy: -92.461 bonds (distance) P-C4' energy: -78.507 flat angles C4'-P-C4' energy: -84.233 flat angles P-C4'-P energy: -56.892 tors. eta vs tors. theta energy: -86.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -1104.433348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.433348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.433348 (E_RNA) where: Base-Base interactions energy: -711.375 where: short stacking energy: -302.363 Base-Backbone interact. energy: 0.059 local terms energy: -393.116991 where: bonds (distance) C4'-P energy: -73.953 bonds (distance) P-C4' energy: -92.186 flat angles C4'-P-C4' energy: -92.757 flat angles P-C4'-P energy: -53.350 tors. eta vs tors. theta energy: -80.870 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: 10, replica: 7 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -1000.608951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.608951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.608951 (E_RNA) where: Base-Base interactions energy: -655.487 where: short stacking energy: -269.945 Base-Backbone interact. energy: 0.330 local terms energy: -345.451941 where: bonds (distance) C4'-P energy: -77.387 bonds (distance) P-C4' energy: -85.238 flat angles C4'-P-C4' energy: -74.421 flat angles P-C4'-P energy: -48.808 tors. eta vs tors. theta energy: -59.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1921.606123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.606123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.606123 (E_RNA) where: Base-Base interactions energy: -1385.426 where: short stacking energy: -546.655 Base-Backbone interact. energy: -1.468 local terms energy: -534.712299 where: bonds (distance) C4'-P energy: -90.528 bonds (distance) P-C4' energy: -82.842 flat angles C4'-P-C4' energy: -107.611 flat angles P-C4'-P energy: -84.459 tors. eta vs tors. theta energy: -169.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1817.850277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.850277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.850277 (E_RNA) where: Base-Base interactions energy: -1265.475 where: short stacking energy: -550.366 Base-Backbone interact. energy: 1.174 local terms energy: -553.549788 where: bonds (distance) C4'-P energy: -90.368 bonds (distance) P-C4' energy: -101.665 flat angles C4'-P-C4' energy: -118.081 flat angles P-C4'-P energy: -74.857 tors. eta vs tors. theta energy: -168.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1755.044734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.044734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.044734 (E_RNA) where: Base-Base interactions energy: -1236.051 where: short stacking energy: -494.915 Base-Backbone interact. energy: -2.589 local terms energy: -516.404864 where: bonds (distance) C4'-P energy: -85.215 bonds (distance) P-C4' energy: -88.982 flat angles C4'-P-C4' energy: -112.216 flat angles P-C4'-P energy: -66.856 tors. eta vs tors. theta energy: -163.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1608.867966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.867966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.867966 (E_RNA) where: Base-Base interactions energy: -1109.174 where: short stacking energy: -461.308 Base-Backbone interact. energy: -0.810 local terms energy: -498.884295 where: bonds (distance) C4'-P energy: -82.485 bonds (distance) P-C4' energy: -89.644 flat angles C4'-P-C4' energy: -111.899 flat angles P-C4'-P energy: -72.506 tors. eta vs tors. theta energy: -142.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -1595.967696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.967696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.967696 (E_RNA) where: Base-Base interactions energy: -1115.014 where: short stacking energy: -453.192 Base-Backbone interact. energy: -0.092 local terms energy: -480.861698 where: bonds (distance) C4'-P energy: -89.813 bonds (distance) P-C4' energy: -91.482 flat angles C4'-P-C4' energy: -94.695 flat angles P-C4'-P energy: -70.446 tors. eta vs tors. theta energy: -134.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1390.460602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.460602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.460602 (E_RNA) where: Base-Base interactions energy: -961.301 where: short stacking energy: -380.372 Base-Backbone interact. energy: 0.614 local terms energy: -429.774079 where: bonds (distance) C4'-P energy: -67.183 bonds (distance) P-C4' energy: -99.795 flat angles C4'-P-C4' energy: -106.134 flat angles P-C4'-P energy: -51.678 tors. eta vs tors. theta energy: -104.985 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: 10 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1303.391307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.391307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.391307 (E_RNA) where: Base-Base interactions energy: -893.271 where: short stacking energy: -365.914 Base-Backbone interact. energy: -0.213 local terms energy: -409.908044 where: bonds (distance) C4'-P energy: -82.855 bonds (distance) P-C4' energy: -79.483 flat angles C4'-P-C4' energy: -86.113 flat angles P-C4'-P energy: -63.235 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: 8, replica: 2 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1225.300809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.300809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.300809 (E_RNA) where: Base-Base interactions energy: -848.575 where: short stacking energy: -333.248 Base-Backbone interact. energy: 0.473 local terms energy: -377.198726 where: bonds (distance) C4'-P energy: -63.310 bonds (distance) P-C4' energy: -81.434 flat angles C4'-P-C4' energy: -88.016 flat angles P-C4'-P energy: -55.777 tors. eta vs tors. theta energy: -88.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -1159.374813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.374813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.374813 (E_RNA) where: Base-Base interactions energy: -763.859 where: short stacking energy: -316.052 Base-Backbone interact. energy: -1.669 local terms energy: -393.846776 where: bonds (distance) C4'-P energy: -75.463 bonds (distance) P-C4' energy: -83.414 flat angles C4'-P-C4' energy: -75.814 flat angles P-C4'-P energy: -67.149 tors. eta vs tors. theta energy: -92.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -991.524359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.524359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.524359 (E_RNA) where: Base-Base interactions energy: -628.182 where: short stacking energy: -277.496 Base-Backbone interact. energy: -0.733 local terms energy: -362.609429 where: bonds (distance) C4'-P energy: -73.797 bonds (distance) P-C4' energy: -74.800 flat angles C4'-P-C4' energy: -85.038 flat angles P-C4'-P energy: -63.838 tors. eta vs tors. theta energy: -65.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1914.195276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.195276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.195276 (E_RNA) where: Base-Base interactions energy: -1363.281 where: short stacking energy: -532.644 Base-Backbone interact. energy: -2.347 local terms energy: -548.567883 where: bonds (distance) C4'-P energy: -104.953 bonds (distance) P-C4' energy: -88.103 flat angles C4'-P-C4' energy: -116.383 flat angles P-C4'-P energy: -75.164 tors. eta vs tors. theta energy: -163.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1794.553889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.553889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.553889 (E_RNA) where: Base-Base interactions energy: -1260.098 where: short stacking energy: -515.258 Base-Backbone interact. energy: -1.046 local terms energy: -533.409732 where: bonds (distance) C4'-P energy: -94.749 bonds (distance) P-C4' energy: -90.563 flat angles C4'-P-C4' energy: -114.121 flat angles P-C4'-P energy: -69.590 tors. eta vs tors. theta energy: -164.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1743.511107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.511107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.511107 (E_RNA) where: Base-Base interactions energy: -1231.616 where: short stacking energy: -488.555 Base-Backbone interact. energy: -2.141 local terms energy: -509.753828 where: bonds (distance) C4'-P energy: -78.183 bonds (distance) P-C4' energy: -94.802 flat angles C4'-P-C4' energy: -106.272 flat angles P-C4'-P energy: -79.994 tors. eta vs tors. theta energy: -150.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1587.574333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.574333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.574333 (E_RNA) where: Base-Base interactions energy: -1073.028 where: short stacking energy: -429.046 Base-Backbone interact. energy: -1.604 local terms energy: -512.942393 where: bonds (distance) C4'-P energy: -100.340 bonds (distance) P-C4' energy: -104.169 flat angles C4'-P-C4' energy: -98.880 flat angles P-C4'-P energy: -77.503 tors. eta vs tors. theta energy: -132.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1588.045291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.045291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.045291 (E_RNA) where: Base-Base interactions energy: -1100.820 where: short stacking energy: -454.866 Base-Backbone interact. energy: -1.008 local terms energy: -486.217010 where: bonds (distance) C4'-P energy: -94.572 bonds (distance) P-C4' energy: -74.799 flat angles C4'-P-C4' energy: -100.786 flat angles P-C4'-P energy: -77.155 tors. eta vs tors. theta energy: -138.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1398.398464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.398464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.398464 (E_RNA) where: Base-Base interactions energy: -949.044 where: short stacking energy: -376.841 Base-Backbone interact. energy: -1.859 local terms energy: -447.495347 where: bonds (distance) C4'-P energy: -85.814 bonds (distance) P-C4' energy: -85.177 flat angles C4'-P-C4' energy: -94.271 flat angles P-C4'-P energy: -66.552 tors. eta vs tors. theta energy: -115.683 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: 7, replica: 10 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1337.817679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.817679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.817679 (E_RNA) where: Base-Base interactions energy: -899.048 where: short stacking energy: -364.261 Base-Backbone interact. energy: 0.437 local terms energy: -439.206732 where: bonds (distance) C4'-P energy: -92.591 bonds (distance) P-C4' energy: -90.559 flat angles C4'-P-C4' energy: -93.694 flat angles P-C4'-P energy: -63.118 tors. eta vs tors. theta energy: -99.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1241.953824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.953824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.953824 (E_RNA) where: Base-Base interactions energy: -844.905 where: short stacking energy: -362.477 Base-Backbone interact. energy: -0.197 local terms energy: -396.852287 where: bonds (distance) C4'-P energy: -69.030 bonds (distance) P-C4' energy: -85.246 flat angles C4'-P-C4' energy: -96.528 flat angles P-C4'-P energy: -48.032 tors. eta vs tors. theta energy: -98.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -1152.122005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.122005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.122005 (E_RNA) where: Base-Base interactions energy: -768.946 where: short stacking energy: -314.445 Base-Backbone interact. energy: 1.919 local terms energy: -385.094920 where: bonds (distance) C4'-P energy: -81.635 bonds (distance) P-C4' energy: -77.650 flat angles C4'-P-C4' energy: -90.672 flat angles P-C4'-P energy: -53.292 tors. eta vs tors. theta energy: -81.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -952.658485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.658485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.658485 (E_RNA) where: Base-Base interactions energy: -634.392 where: short stacking energy: -269.496 Base-Backbone interact. energy: 0.123 local terms energy: -318.390247 where: bonds (distance) C4'-P energy: -67.807 bonds (distance) P-C4' energy: -83.643 flat angles C4'-P-C4' energy: -73.770 flat angles P-C4'-P energy: -48.254 tors. eta vs tors. theta energy: -44.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1946.182052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.182052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.182052 (E_RNA) where: Base-Base interactions energy: -1371.551 where: short stacking energy: -553.215 Base-Backbone interact. energy: -1.517 local terms energy: -573.114949 where: bonds (distance) C4'-P energy: -112.711 bonds (distance) P-C4' energy: -97.149 flat angles C4'-P-C4' energy: -108.847 flat angles P-C4'-P energy: -81.459 tors. eta vs tors. theta energy: -172.950 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: 3 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1794.318258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.318258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.318258 (E_RNA) where: Base-Base interactions energy: -1257.626 where: short stacking energy: -517.382 Base-Backbone interact. energy: -2.207 local terms energy: -534.485261 where: bonds (distance) C4'-P energy: -92.494 bonds (distance) P-C4' energy: -94.085 flat angles C4'-P-C4' energy: -104.123 flat angles P-C4'-P energy: -80.826 tors. eta vs tors. theta energy: -162.957 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: 9 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1741.649274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.649274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.649274 (E_RNA) where: Base-Base interactions energy: -1233.615 where: short stacking energy: -505.705 Base-Backbone interact. energy: 1.630 local terms energy: -509.664536 where: bonds (distance) C4'-P energy: -82.509 bonds (distance) P-C4' energy: -89.382 flat angles C4'-P-C4' energy: -102.754 flat angles P-C4'-P energy: -79.828 tors. eta vs tors. theta energy: -155.191 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: 4, replica: 8 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1585.480180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.480180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.480180 (E_RNA) where: Base-Base interactions energy: -1107.739 where: short stacking energy: -451.436 Base-Backbone interact. energy: -1.517 local terms energy: -476.224319 where: bonds (distance) C4'-P energy: -76.406 bonds (distance) P-C4' energy: -88.716 flat angles C4'-P-C4' energy: -110.130 flat angles P-C4'-P energy: -67.823 tors. eta vs tors. theta energy: -133.149 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: 1 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -1593.720992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.720992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.720992 (E_RNA) where: Base-Base interactions energy: -1137.434 where: short stacking energy: -453.559 Base-Backbone interact. energy: -1.503 local terms energy: -454.784361 where: bonds (distance) C4'-P energy: -88.649 bonds (distance) P-C4' energy: -87.376 flat angles C4'-P-C4' energy: -96.931 flat angles P-C4'-P energy: -50.336 tors. eta vs tors. theta energy: -131.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1446.920430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.920430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.920430 (E_RNA) where: Base-Base interactions energy: -997.402 where: short stacking energy: -391.379 Base-Backbone interact. energy: -2.817 local terms energy: -446.700820 where: bonds (distance) C4'-P energy: -73.616 bonds (distance) P-C4' energy: -103.430 flat angles C4'-P-C4' energy: -97.526 flat angles P-C4'-P energy: -52.197 tors. eta vs tors. theta energy: -119.932 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: 10 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1329.454649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.454649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.454649 (E_RNA) where: Base-Base interactions energy: -901.966 where: short stacking energy: -379.366 Base-Backbone interact. energy: -2.296 local terms energy: -425.192450 where: bonds (distance) C4'-P energy: -82.120 bonds (distance) P-C4' energy: -87.692 flat angles C4'-P-C4' energy: -93.955 flat angles P-C4'-P energy: -55.031 tors. eta vs tors. theta energy: -106.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1266.529619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.529619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.529619 (E_RNA) where: Base-Base interactions energy: -879.891 where: short stacking energy: -369.232 Base-Backbone interact. energy: 1.024 local terms energy: -387.662917 where: bonds (distance) C4'-P energy: -81.585 bonds (distance) P-C4' energy: -66.138 flat angles C4'-P-C4' energy: -84.329 flat angles P-C4'-P energy: -62.974 tors. eta vs tors. theta energy: -92.638 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: 6 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -1195.143054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.143054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.143054 (E_RNA) where: Base-Base interactions energy: -795.162 where: short stacking energy: -313.451 Base-Backbone interact. energy: -1.396 local terms energy: -398.585162 where: bonds (distance) C4'-P energy: -70.928 bonds (distance) P-C4' energy: -90.579 flat angles C4'-P-C4' energy: -91.179 flat angles P-C4'-P energy: -54.411 tors. eta vs tors. theta energy: -91.488 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: 10, replica: 7 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -958.405915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.405915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.405915 (E_RNA) where: Base-Base interactions energy: -615.941 where: short stacking energy: -274.798 Base-Backbone interact. energy: -0.848 local terms energy: -341.617422 where: bonds (distance) C4'-P energy: -65.205 bonds (distance) P-C4' energy: -91.509 flat angles C4'-P-C4' energy: -86.355 flat angles P-C4'-P energy: -43.545 tors. eta vs tors. theta energy: -55.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1905.591259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.591259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.591259 (E_RNA) where: Base-Base interactions energy: -1366.324 where: short stacking energy: -543.544 Base-Backbone interact. energy: -1.142 local terms energy: -538.125460 where: bonds (distance) C4'-P energy: -93.695 bonds (distance) P-C4' energy: -87.795 flat angles C4'-P-C4' energy: -111.312 flat angles P-C4'-P energy: -77.063 tors. eta vs tors. theta energy: -168.261 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: 2, replica: 3 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1806.321437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.321437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.321437 (E_RNA) where: Base-Base interactions energy: -1261.903 where: short stacking energy: -531.910 Base-Backbone interact. energy: -1.964 local terms energy: -542.454122 where: bonds (distance) C4'-P energy: -89.025 bonds (distance) P-C4' energy: -93.841 flat angles C4'-P-C4' energy: -107.437 flat angles P-C4'-P energy: -84.437 tors. eta vs tors. theta energy: -167.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1748.131131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.131131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.131131 (E_RNA) where: Base-Base interactions energy: -1212.812 where: short stacking energy: -497.857 Base-Backbone interact. energy: -3.413 local terms energy: -531.906749 where: bonds (distance) C4'-P energy: -92.405 bonds (distance) P-C4' energy: -93.779 flat angles C4'-P-C4' energy: -109.537 flat angles P-C4'-P energy: -84.808 tors. eta vs tors. theta energy: -151.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1564.872429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.872429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.872429 (E_RNA) where: Base-Base interactions energy: -1105.085 where: short stacking energy: -466.643 Base-Backbone interact. energy: -2.624 local terms energy: -457.163071 where: bonds (distance) C4'-P energy: -80.052 bonds (distance) P-C4' energy: -80.551 flat angles C4'-P-C4' energy: -100.496 flat angles P-C4'-P energy: -62.602 tors. eta vs tors. theta energy: -133.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -1542.049877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.049877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.049877 (E_RNA) where: Base-Base interactions energy: -1073.946 where: short stacking energy: -456.385 Base-Backbone interact. energy: 1.882 local terms energy: -469.986319 where: bonds (distance) C4'-P energy: -74.046 bonds (distance) P-C4' energy: -94.433 flat angles C4'-P-C4' energy: -108.510 flat angles P-C4'-P energy: -53.463 tors. eta vs tors. theta energy: -139.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1501.252241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.252241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.252241 (E_RNA) where: Base-Base interactions energy: -1059.780 where: short stacking energy: -420.221 Base-Backbone interact. energy: 1.349 local terms energy: -442.821407 where: bonds (distance) C4'-P energy: -78.606 bonds (distance) P-C4' energy: -82.378 flat angles C4'-P-C4' energy: -94.682 flat angles P-C4'-P energy: -71.336 tors. eta vs tors. theta energy: -115.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1319.471979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.471979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.471979 (E_RNA) where: Base-Base interactions energy: -891.717 where: short stacking energy: -381.710 Base-Backbone interact. energy: 1.639 local terms energy: -429.394392 where: bonds (distance) C4'-P energy: -85.197 bonds (distance) P-C4' energy: -78.080 flat angles C4'-P-C4' energy: -94.648 flat angles P-C4'-P energy: -63.388 tors. eta vs tors. theta energy: -108.082 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: 2 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1288.639137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.639137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.639137 (E_RNA) where: Base-Base interactions energy: -876.318 where: short stacking energy: -370.901 Base-Backbone interact. energy: -0.845 local terms energy: -411.475892 where: bonds (distance) C4'-P energy: -77.013 bonds (distance) P-C4' energy: -71.298 flat angles C4'-P-C4' energy: -106.313 flat angles P-C4'-P energy: -61.239 tors. eta vs tors. theta energy: -95.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -1194.242524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.242524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.242524 (E_RNA) where: Base-Base interactions energy: -814.375 where: short stacking energy: -347.025 Base-Backbone interact. energy: 1.170 local terms energy: -381.037640 where: bonds (distance) C4'-P energy: -79.272 bonds (distance) P-C4' energy: -82.606 flat angles C4'-P-C4' energy: -76.697 flat angles P-C4'-P energy: -49.755 tors. eta vs tors. theta energy: -92.709 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: 10, replica: 7 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -950.192592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.192592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.192592 (E_RNA) where: Base-Base interactions energy: -593.724 where: short stacking energy: -262.412 Base-Backbone interact. energy: 1.446 local terms energy: -357.914562 where: bonds (distance) C4'-P energy: -79.095 bonds (distance) P-C4' energy: -89.714 flat angles C4'-P-C4' energy: -80.742 flat angles P-C4'-P energy: -44.002 tors. eta vs tors. theta energy: -64.361 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: 4 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1912.565897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.565897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.565897 (E_RNA) where: Base-Base interactions energy: -1351.210 where: short stacking energy: -531.823 Base-Backbone interact. energy: -1.184 local terms energy: -560.172751 where: bonds (distance) C4'-P energy: -97.113 bonds (distance) P-C4' energy: -97.590 flat angles C4'-P-C4' energy: -109.006 flat angles P-C4'-P energy: -87.368 tors. eta vs tors. theta energy: -169.096 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: 3 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1816.806938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.806938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.806938 (E_RNA) where: Base-Base interactions energy: -1275.669 where: short stacking energy: -532.118 Base-Backbone interact. energy: -1.896 local terms energy: -539.241750 where: bonds (distance) C4'-P energy: -79.528 bonds (distance) P-C4' energy: -96.195 flat angles C4'-P-C4' energy: -112.919 flat angles P-C4'-P energy: -81.170 tors. eta vs tors. theta energy: -169.431 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: 9 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1767.344508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.344508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.344508 (E_RNA) where: Base-Base interactions energy: -1248.747 where: short stacking energy: -500.056 Base-Backbone interact. energy: -4.205 local terms energy: -514.393019 where: bonds (distance) C4'-P energy: -82.608 bonds (distance) P-C4' energy: -89.160 flat angles C4'-P-C4' energy: -118.522 flat angles P-C4'-P energy: -62.690 tors. eta vs tors. theta energy: -161.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1588.921153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.921153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.921153 (E_RNA) where: Base-Base interactions energy: -1114.828 where: short stacking energy: -434.271 Base-Backbone interact. energy: -1.626 local terms energy: -472.466848 where: bonds (distance) C4'-P energy: -87.699 bonds (distance) P-C4' energy: -92.359 flat angles C4'-P-C4' energy: -96.912 flat angles P-C4'-P energy: -69.762 tors. eta vs tors. theta energy: -125.735 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: 5, replica: 8 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1540.563947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.563947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.563947 (E_RNA) where: Base-Base interactions energy: -1042.259 where: short stacking energy: -436.526 Base-Backbone interact. energy: -0.808 local terms energy: -497.496741 where: bonds (distance) C4'-P energy: -96.586 bonds (distance) P-C4' energy: -93.565 flat angles C4'-P-C4' energy: -110.421 flat angles P-C4'-P energy: -62.864 tors. eta vs tors. theta energy: -134.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1466.548302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.548302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.548302 (E_RNA) where: Base-Base interactions energy: -1015.909 where: short stacking energy: -408.170 Base-Backbone interact. energy: -1.595 local terms energy: -449.044600 where: bonds (distance) C4'-P energy: -70.736 bonds (distance) P-C4' energy: -94.743 flat angles C4'-P-C4' energy: -105.719 flat angles P-C4'-P energy: -59.078 tors. eta vs tors. theta energy: -118.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1350.135031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.135031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.135031 (E_RNA) where: Base-Base interactions energy: -931.923 where: short stacking energy: -395.745 Base-Backbone interact. energy: -1.297 local terms energy: -416.915348 where: bonds (distance) C4'-P energy: -81.687 bonds (distance) P-C4' energy: -79.977 flat angles C4'-P-C4' energy: -89.622 flat angles P-C4'-P energy: -47.726 tors. eta vs tors. theta energy: -117.904 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: 2 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1282.010111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.010111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.010111 (E_RNA) where: Base-Base interactions energy: -870.482 where: short stacking energy: -355.116 Base-Backbone interact. energy: -0.301 local terms energy: -411.226747 where: bonds (distance) C4'-P energy: -87.474 bonds (distance) P-C4' energy: -80.318 flat angles C4'-P-C4' energy: -94.141 flat angles P-C4'-P energy: -58.351 tors. eta vs tors. theta energy: -90.942 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: 6 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -1232.181983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.181983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.181983 (E_RNA) where: Base-Base interactions energy: -843.258 where: short stacking energy: -329.215 Base-Backbone interact. energy: -1.506 local terms energy: -387.418654 where: bonds (distance) C4'-P energy: -76.108 bonds (distance) P-C4' energy: -84.344 flat angles C4'-P-C4' energy: -80.248 flat angles P-C4'-P energy: -64.096 tors. eta vs tors. theta energy: -82.623 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: 7 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -947.737886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.737886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.737886 (E_RNA) where: Base-Base interactions energy: -606.661 where: short stacking energy: -259.744 Base-Backbone interact. energy: -0.817 local terms energy: -340.259695 where: bonds (distance) C4'-P energy: -83.373 bonds (distance) P-C4' energy: -79.099 flat angles C4'-P-C4' energy: -68.878 flat angles P-C4'-P energy: -52.480 tors. eta vs tors. theta energy: -56.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1894.516708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.516708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.516708 (E_RNA) where: Base-Base interactions energy: -1362.611 where: short stacking energy: -527.891 Base-Backbone interact. energy: 4.824 local terms energy: -536.729495 where: bonds (distance) C4'-P energy: -90.559 bonds (distance) P-C4' energy: -95.501 flat angles C4'-P-C4' energy: -109.182 flat angles P-C4'-P energy: -74.291 tors. eta vs tors. theta energy: -167.196 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: 335 Temperature: 0.950000 Total energy: -1782.320023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.320023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.320023 (E_RNA) where: Base-Base interactions energy: -1250.619 where: short stacking energy: -509.897 Base-Backbone interact. energy: -1.063 local terms energy: -530.638066 where: bonds (distance) C4'-P energy: -94.905 bonds (distance) P-C4' energy: -102.025 flat angles C4'-P-C4' energy: -106.533 flat angles P-C4'-P energy: -76.895 tors. eta vs tors. theta energy: -150.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1789.529758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.529758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.529758 (E_RNA) where: Base-Base interactions energy: -1259.194 where: short stacking energy: -510.660 Base-Backbone interact. energy: -2.321 local terms energy: -528.014650 where: bonds (distance) C4'-P energy: -85.190 bonds (distance) P-C4' energy: -87.028 flat angles C4'-P-C4' energy: -108.168 flat angles P-C4'-P energy: -80.270 tors. eta vs tors. theta energy: -167.359 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: 8 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1593.444293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.444293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.444293 (E_RNA) where: Base-Base interactions energy: -1120.001 where: short stacking energy: -475.544 Base-Backbone interact. energy: -2.606 local terms energy: -470.836925 where: bonds (distance) C4'-P energy: -89.933 bonds (distance) P-C4' energy: -87.278 flat angles C4'-P-C4' energy: -91.585 flat angles P-C4'-P energy: -59.639 tors. eta vs tors. theta energy: -142.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1555.634536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.634536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.634536 (E_RNA) where: Base-Base interactions energy: -1087.021 where: short stacking energy: -442.042 Base-Backbone interact. energy: -2.151 local terms energy: -466.462023 where: bonds (distance) C4'-P energy: -85.567 bonds (distance) P-C4' energy: -81.536 flat angles C4'-P-C4' energy: -98.705 flat angles P-C4'-P energy: -66.262 tors. eta vs tors. theta energy: -134.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1468.786044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.786044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.786044 (E_RNA) where: Base-Base interactions energy: -1009.703 where: short stacking energy: -391.525 Base-Backbone interact. energy: -2.271 local terms energy: -456.812300 where: bonds (distance) C4'-P energy: -86.718 bonds (distance) P-C4' energy: -93.082 flat angles C4'-P-C4' energy: -102.361 flat angles P-C4'-P energy: -66.213 tors. eta vs tors. theta energy: -108.439 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: 10 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1362.496629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.496629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.496629 (E_RNA) where: Base-Base interactions energy: -930.033 where: short stacking energy: -389.825 Base-Backbone interact. energy: -1.140 local terms energy: -431.323043 where: bonds (distance) C4'-P energy: -78.771 bonds (distance) P-C4' energy: -94.917 flat angles C4'-P-C4' energy: -89.112 flat angles P-C4'-P energy: -62.736 tors. eta vs tors. theta energy: -105.787 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: 2 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1282.796569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.796569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.796569 (E_RNA) where: Base-Base interactions energy: -858.144 where: short stacking energy: -381.021 Base-Backbone interact. energy: 3.156 local terms energy: -427.808386 where: bonds (distance) C4'-P energy: -78.545 bonds (distance) P-C4' energy: -81.678 flat angles C4'-P-C4' energy: -89.376 flat angles P-C4'-P energy: -67.505 tors. eta vs tors. theta energy: -110.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -1224.078364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.078364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.078364 (E_RNA) where: Base-Base interactions energy: -810.797 where: short stacking energy: -325.641 Base-Backbone interact. energy: 2.037 local terms energy: -415.318472 where: bonds (distance) C4'-P energy: -79.618 bonds (distance) P-C4' energy: -83.318 flat angles C4'-P-C4' energy: -89.195 flat angles P-C4'-P energy: -60.303 tors. eta vs tors. theta energy: -102.884 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: 7 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -960.591906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.591906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.591906 (E_RNA) where: Base-Base interactions energy: -615.097 where: short stacking energy: -273.327 Base-Backbone interact. energy: -1.341 local terms energy: -344.153292 where: bonds (distance) C4'-P energy: -82.570 bonds (distance) P-C4' energy: -67.183 flat angles C4'-P-C4' energy: -79.736 flat angles P-C4'-P energy: -49.517 tors. eta vs tors. theta energy: -65.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1911.608418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.608418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.608418 (E_RNA) where: Base-Base interactions energy: -1346.250 where: short stacking energy: -545.973 Base-Backbone interact. energy: -0.144 local terms energy: -565.214947 where: bonds (distance) C4'-P energy: -108.274 bonds (distance) P-C4' energy: -97.534 flat angles C4'-P-C4' energy: -106.473 flat angles P-C4'-P energy: -86.465 tors. eta vs tors. theta energy: -166.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1786.421021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.421021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.421021 (E_RNA) where: Base-Base interactions energy: -1255.332 where: short stacking energy: -506.120 Base-Backbone interact. energy: -1.680 local terms energy: -529.408652 where: bonds (distance) C4'-P energy: -88.737 bonds (distance) P-C4' energy: -91.567 flat angles C4'-P-C4' energy: -112.182 flat angles P-C4'-P energy: -79.974 tors. eta vs tors. theta energy: -156.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1763.622091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.622091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.622091 (E_RNA) where: Base-Base interactions energy: -1232.028 where: short stacking energy: -494.092 Base-Backbone interact. energy: -2.012 local terms energy: -529.581801 where: bonds (distance) C4'-P energy: -91.123 bonds (distance) P-C4' energy: -93.797 flat angles C4'-P-C4' energy: -111.247 flat angles P-C4'-P energy: -75.759 tors. eta vs tors. theta energy: -157.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1569.713837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.713837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.713837 (E_RNA) where: Base-Base interactions energy: -1083.814 where: short stacking energy: -451.307 Base-Backbone interact. energy: 1.460 local terms energy: -487.360186 where: bonds (distance) C4'-P energy: -88.889 bonds (distance) P-C4' energy: -88.356 flat angles C4'-P-C4' energy: -110.803 flat angles P-C4'-P energy: -70.683 tors. eta vs tors. theta energy: -128.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -1524.036360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.036360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.036360 (E_RNA) where: Base-Base interactions energy: -1045.124 where: short stacking energy: -418.766 Base-Backbone interact. energy: -3.368 local terms energy: -475.544164 where: bonds (distance) C4'-P energy: -71.409 bonds (distance) P-C4' energy: -103.313 flat angles C4'-P-C4' energy: -104.179 flat angles P-C4'-P energy: -69.907 tors. eta vs tors. theta energy: -126.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1463.153437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.153437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.153437 (E_RNA) where: Base-Base interactions energy: -1017.620 where: short stacking energy: -409.348 Base-Backbone interact. energy: 0.630 local terms energy: -446.163624 where: bonds (distance) C4'-P energy: -83.359 bonds (distance) P-C4' energy: -85.608 flat angles C4'-P-C4' energy: -93.328 flat angles P-C4'-P energy: -65.140 tors. eta vs tors. theta energy: -118.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1306.005735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.005735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.005735 (E_RNA) where: Base-Base interactions energy: -900.335 where: short stacking energy: -378.266 Base-Backbone interact. energy: -1.450 local terms energy: -404.220174 where: bonds (distance) C4'-P energy: -72.823 bonds (distance) P-C4' energy: -75.894 flat angles C4'-P-C4' energy: -91.180 flat angles P-C4'-P energy: -62.979 tors. eta vs tors. theta energy: -101.344 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: 10 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1254.835996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.835996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.835996 (E_RNA) where: Base-Base interactions energy: -857.944 where: short stacking energy: -347.336 Base-Backbone interact. energy: 7.258 local terms energy: -404.150782 where: bonds (distance) C4'-P energy: -79.135 bonds (distance) P-C4' energy: -76.968 flat angles C4'-P-C4' energy: -93.112 flat angles P-C4'-P energy: -57.758 tors. eta vs tors. theta energy: -97.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -1213.379344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.379344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.379344 (E_RNA) where: Base-Base interactions energy: -808.511 where: short stacking energy: -334.544 Base-Backbone interact. energy: -1.076 local terms energy: -403.792258 where: bonds (distance) C4'-P energy: -75.541 bonds (distance) P-C4' energy: -75.163 flat angles C4'-P-C4' energy: -99.551 flat angles P-C4'-P energy: -59.622 tors. eta vs tors. theta energy: -93.915 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: 7 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -966.695195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.695195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.695195 (E_RNA) where: Base-Base interactions energy: -627.625 where: short stacking energy: -262.516 Base-Backbone interact. energy: 0.157 local terms energy: -339.226643 where: bonds (distance) C4'-P energy: -72.209 bonds (distance) P-C4' energy: -96.887 flat angles C4'-P-C4' energy: -71.485 flat angles P-C4'-P energy: -38.394 tors. eta vs tors. theta energy: -60.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1925.850621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.850621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.850621 (E_RNA) where: Base-Base interactions energy: -1366.192 where: short stacking energy: -550.501 Base-Backbone interact. energy: -1.304 local terms energy: -558.354441 where: bonds (distance) C4'-P energy: -101.007 bonds (distance) P-C4' energy: -100.768 flat angles C4'-P-C4' energy: -112.551 flat angles P-C4'-P energy: -78.640 tors. eta vs tors. theta energy: -165.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1802.687565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.687565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.687565 (E_RNA) where: Base-Base interactions energy: -1239.126 where: short stacking energy: -516.294 Base-Backbone interact. energy: -1.721 local terms energy: -561.840873 where: bonds (distance) C4'-P energy: -101.630 bonds (distance) P-C4' energy: -102.024 flat angles C4'-P-C4' energy: -115.897 flat angles P-C4'-P energy: -74.775 tors. eta vs tors. theta energy: -167.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1764.788880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.788880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.788880 (E_RNA) where: Base-Base interactions energy: -1249.189 where: short stacking energy: -501.171 Base-Backbone interact. energy: 1.937 local terms energy: -517.536762 where: bonds (distance) C4'-P energy: -94.525 bonds (distance) P-C4' energy: -91.259 flat angles C4'-P-C4' energy: -107.116 flat angles P-C4'-P energy: -66.405 tors. eta vs tors. theta energy: -158.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1595.836308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.836308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.836308 (E_RNA) where: Base-Base interactions energy: -1116.109 where: short stacking energy: -466.784 Base-Backbone interact. energy: 1.242 local terms energy: -480.969379 where: bonds (distance) C4'-P energy: -97.869 bonds (distance) P-C4' energy: -83.903 flat angles C4'-P-C4' energy: -96.500 flat angles P-C4'-P energy: -62.676 tors. eta vs tors. theta energy: -140.021 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: 1 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -1515.192690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.192690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.192690 (E_RNA) where: Base-Base interactions energy: -1045.883 where: short stacking energy: -430.912 Base-Backbone interact. energy: -2.245 local terms energy: -467.064318 where: bonds (distance) C4'-P energy: -86.222 bonds (distance) P-C4' energy: -80.730 flat angles C4'-P-C4' energy: -105.744 flat angles P-C4'-P energy: -63.988 tors. eta vs tors. theta energy: -130.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1448.056945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.056945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.056945 (E_RNA) where: Base-Base interactions energy: -1028.550 where: short stacking energy: -404.009 Base-Backbone interact. energy: -0.494 local terms energy: -419.012650 where: bonds (distance) C4'-P energy: -63.894 bonds (distance) P-C4' energy: -76.716 flat angles C4'-P-C4' energy: -106.593 flat angles P-C4'-P energy: -58.281 tors. eta vs tors. theta energy: -113.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1319.594481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.594481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.594481 (E_RNA) where: Base-Base interactions energy: -900.351 where: short stacking energy: -383.690 Base-Backbone interact. energy: 1.435 local terms energy: -420.678422 where: bonds (distance) C4'-P energy: -82.606 bonds (distance) P-C4' energy: -73.314 flat angles C4'-P-C4' energy: -95.620 flat angles P-C4'-P energy: -59.608 tors. eta vs tors. theta energy: -109.529 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: 6 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1228.551453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.551453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.551453 (E_RNA) where: Base-Base interactions energy: -828.210 where: short stacking energy: -349.599 Base-Backbone interact. energy: 1.560 local terms energy: -401.900717 where: bonds (distance) C4'-P energy: -86.451 bonds (distance) P-C4' energy: -82.920 flat angles C4'-P-C4' energy: -86.359 flat angles P-C4'-P energy: -68.535 tors. eta vs tors. theta energy: -77.636 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: 10 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -1222.362692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.362692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.362692 (E_RNA) where: Base-Base interactions energy: -826.731 where: short stacking energy: -351.554 Base-Backbone interact. energy: 0.454 local terms energy: -396.085432 where: bonds (distance) C4'-P energy: -68.267 bonds (distance) P-C4' energy: -86.054 flat angles C4'-P-C4' energy: -95.637 flat angles P-C4'-P energy: -50.797 tors. eta vs tors. theta energy: -95.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -947.776458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.776458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.776458 (E_RNA) where: Base-Base interactions energy: -586.192 where: short stacking energy: -247.606 Base-Backbone interact. energy: 0.807 local terms energy: -362.391016 where: bonds (distance) C4'-P energy: -93.365 bonds (distance) P-C4' energy: -81.564 flat angles C4'-P-C4' energy: -82.959 flat angles P-C4'-P energy: -46.286 tors. eta vs tors. theta energy: -58.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1909.354416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.354416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.354416 (E_RNA) where: Base-Base interactions energy: -1368.590 where: short stacking energy: -548.323 Base-Backbone interact. energy: 1.528 local terms energy: -542.292919 where: bonds (distance) C4'-P energy: -88.665 bonds (distance) P-C4' energy: -84.141 flat angles C4'-P-C4' energy: -114.922 flat angles P-C4'-P energy: -79.509 tors. eta vs tors. theta energy: -175.055 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: 3 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1794.922025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.922025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.922025 (E_RNA) where: Base-Base interactions energy: -1235.821 where: short stacking energy: -530.411 Base-Backbone interact. energy: -1.133 local terms energy: -557.968497 where: bonds (distance) C4'-P energy: -97.847 bonds (distance) P-C4' energy: -98.821 flat angles C4'-P-C4' energy: -111.436 flat angles P-C4'-P energy: -85.328 tors. eta vs tors. theta energy: -164.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1782.800520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.800520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.800520 (E_RNA) where: Base-Base interactions energy: -1246.206 where: short stacking energy: -488.425 Base-Backbone interact. energy: -0.299 local terms energy: -536.296026 where: bonds (distance) C4'-P energy: -86.746 bonds (distance) P-C4' energy: -98.553 flat angles C4'-P-C4' energy: -114.772 flat angles P-C4'-P energy: -83.080 tors. eta vs tors. theta energy: -153.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1599.365418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.365418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.365418 (E_RNA) where: Base-Base interactions energy: -1112.558 where: short stacking energy: -456.052 Base-Backbone interact. energy: -0.253 local terms energy: -486.553986 where: bonds (distance) C4'-P energy: -94.127 bonds (distance) P-C4' energy: -89.616 flat angles C4'-P-C4' energy: -92.445 flat angles P-C4'-P energy: -63.342 tors. eta vs tors. theta energy: -147.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -1489.388219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.388219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.388219 (E_RNA) where: Base-Base interactions energy: -1034.971 where: short stacking energy: -389.181 Base-Backbone interact. energy: -2.277 local terms energy: -452.140516 where: bonds (distance) C4'-P energy: -87.262 bonds (distance) P-C4' energy: -88.864 flat angles C4'-P-C4' energy: -101.389 flat angles P-C4'-P energy: -63.525 tors. eta vs tors. theta energy: -111.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -1487.825012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.825012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.825012 (E_RNA) where: Base-Base interactions energy: -1013.248 where: short stacking energy: -412.416 Base-Backbone interact. energy: -1.448 local terms energy: -473.128895 where: bonds (distance) C4'-P energy: -83.278 bonds (distance) P-C4' energy: -75.446 flat angles C4'-P-C4' energy: -100.007 flat angles P-C4'-P energy: -79.810 tors. eta vs tors. theta energy: -134.588 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: 2 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1322.313117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.313117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.313117 (E_RNA) where: Base-Base interactions energy: -888.322 where: short stacking energy: -367.087 Base-Backbone interact. energy: -0.224 local terms energy: -433.766531 where: bonds (distance) C4'-P energy: -87.188 bonds (distance) P-C4' energy: -89.553 flat angles C4'-P-C4' energy: -95.419 flat angles P-C4'-P energy: -55.958 tors. eta vs tors. theta energy: -105.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1266.032847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.032847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.032847 (E_RNA) where: Base-Base interactions energy: -853.039 where: short stacking energy: -359.698 Base-Backbone interact. energy: 0.319 local terms energy: -413.312486 where: bonds (distance) C4'-P energy: -87.317 bonds (distance) P-C4' energy: -79.054 flat angles C4'-P-C4' energy: -87.326 flat angles P-C4'-P energy: -54.460 tors. eta vs tors. theta energy: -105.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -1273.067024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.067024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.067024 (E_RNA) where: Base-Base interactions energy: -866.254 where: short stacking energy: -349.177 Base-Backbone interact. energy: -1.776 local terms energy: -405.036992 where: bonds (distance) C4'-P energy: -64.791 bonds (distance) P-C4' energy: -86.036 flat angles C4'-P-C4' energy: -94.347 flat angles P-C4'-P energy: -58.043 tors. eta vs tors. theta energy: -101.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -922.098598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.098598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.098598 (E_RNA) where: Base-Base interactions energy: -605.570 where: short stacking energy: -262.161 Base-Backbone interact. energy: 1.098 local terms energy: -317.627006 where: bonds (distance) C4'-P energy: -68.388 bonds (distance) P-C4' energy: -78.924 flat angles C4'-P-C4' energy: -75.140 flat angles P-C4'-P energy: -46.751 tors. eta vs tors. theta energy: -48.424 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: 1, replica: 4 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1915.253074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.253074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.253074 (E_RNA) where: Base-Base interactions energy: -1366.363 where: short stacking energy: -529.329 Base-Backbone interact. energy: -1.518 local terms energy: -547.371529 where: bonds (distance) C4'-P energy: -82.399 bonds (distance) P-C4' energy: -101.382 flat angles C4'-P-C4' energy: -119.962 flat angles P-C4'-P energy: -82.089 tors. eta vs tors. theta energy: -161.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1794.957564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.957564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.957564 (E_RNA) where: Base-Base interactions energy: -1249.525 where: short stacking energy: -521.253 Base-Backbone interact. energy: 0.781 local terms energy: -546.213651 where: bonds (distance) C4'-P energy: -95.243 bonds (distance) P-C4' energy: -96.642 flat angles C4'-P-C4' energy: -114.661 flat angles P-C4'-P energy: -73.515 tors. eta vs tors. theta energy: -166.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1759.261608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.261608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.261608 (E_RNA) where: Base-Base interactions energy: -1238.828 where: short stacking energy: -492.544 Base-Backbone interact. energy: -0.581 local terms energy: -519.851872 where: bonds (distance) C4'-P energy: -79.079 bonds (distance) P-C4' energy: -89.328 flat angles C4'-P-C4' energy: -112.467 flat angles P-C4'-P energy: -78.981 tors. eta vs tors. theta energy: -159.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1632.450475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.450475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.450475 (E_RNA) where: Base-Base interactions energy: -1149.313 where: short stacking energy: -450.631 Base-Backbone interact. energy: -0.958 local terms energy: -482.179431 where: bonds (distance) C4'-P energy: -85.834 bonds (distance) P-C4' energy: -81.778 flat angles C4'-P-C4' energy: -106.532 flat angles P-C4'-P energy: -74.234 tors. eta vs tors. theta energy: -133.802 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: 339 Temperature: 1.100000 Total energy: -1504.050647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.050647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.050647 (E_RNA) where: Base-Base interactions energy: -1045.887 where: short stacking energy: -415.906 Base-Backbone interact. energy: -0.669 local terms energy: -457.494632 where: bonds (distance) C4'-P energy: -85.426 bonds (distance) P-C4' energy: -90.692 flat angles C4'-P-C4' energy: -94.295 flat angles P-C4'-P energy: -65.427 tors. eta vs tors. theta energy: -121.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -1485.167539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.167539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.167539 (E_RNA) where: Base-Base interactions energy: -1021.248 where: short stacking energy: -420.774 Base-Backbone interact. energy: -1.838 local terms energy: -462.081718 where: bonds (distance) C4'-P energy: -84.684 bonds (distance) P-C4' energy: -83.220 flat angles C4'-P-C4' energy: -98.253 flat angles P-C4'-P energy: -61.947 tors. eta vs tors. theta energy: -133.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1311.764690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.764690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.764690 (E_RNA) where: Base-Base interactions energy: -886.600 where: short stacking energy: -373.446 Base-Backbone interact. energy: -2.637 local terms energy: -422.528050 where: bonds (distance) C4'-P energy: -87.360 bonds (distance) P-C4' energy: -86.792 flat angles C4'-P-C4' energy: -96.865 flat angles P-C4'-P energy: -51.267 tors. eta vs tors. theta energy: -100.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1327.984667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.984667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.984667 (E_RNA) where: Base-Base interactions energy: -909.119 where: short stacking energy: -360.876 Base-Backbone interact. energy: -1.329 local terms energy: -417.536585 where: bonds (distance) C4'-P energy: -84.926 bonds (distance) P-C4' energy: -83.448 flat angles C4'-P-C4' energy: -86.029 flat angles P-C4'-P energy: -65.873 tors. eta vs tors. theta energy: -97.260 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: 6 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -1257.995328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.995328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.995328 (E_RNA) where: Base-Base interactions energy: -845.698 where: short stacking energy: -361.767 Base-Backbone interact. energy: -1.353 local terms energy: -410.944441 where: bonds (distance) C4'-P energy: -77.335 bonds (distance) P-C4' energy: -88.764 flat angles C4'-P-C4' energy: -89.602 flat angles P-C4'-P energy: -59.038 tors. eta vs tors. theta energy: -96.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -932.740454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.740454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.740454 (E_RNA) where: Base-Base interactions energy: -610.448 where: short stacking energy: -263.218 Base-Backbone interact. energy: -2.548 local terms energy: -319.744894 where: bonds (distance) C4'-P energy: -60.955 bonds (distance) P-C4' energy: -79.170 flat angles C4'-P-C4' energy: -77.788 flat angles P-C4'-P energy: -48.364 tors. eta vs tors. theta energy: -53.469 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: 4 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1919.699203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.699203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.699203 (E_RNA) where: Base-Base interactions energy: -1358.030 where: short stacking energy: -545.598 Base-Backbone interact. energy: 0.941 local terms energy: -562.610237 where: bonds (distance) C4'-P energy: -98.183 bonds (distance) P-C4' energy: -98.395 flat angles C4'-P-C4' energy: -122.175 flat angles P-C4'-P energy: -77.483 tors. eta vs tors. theta energy: -166.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1784.039681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.039681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.039681 (E_RNA) where: Base-Base interactions energy: -1239.523 where: short stacking energy: -500.947 Base-Backbone interact. energy: -1.331 local terms energy: -543.186046 where: bonds (distance) C4'-P energy: -90.126 bonds (distance) P-C4' energy: -94.208 flat angles C4'-P-C4' energy: -115.591 flat angles P-C4'-P energy: -81.560 tors. eta vs tors. theta energy: -161.701 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: 9 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1769.119148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.119148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.119148 (E_RNA) where: Base-Base interactions energy: -1231.932 where: short stacking energy: -494.911 Base-Backbone interact. energy: -1.365 local terms energy: -535.821909 where: bonds (distance) C4'-P energy: -77.953 bonds (distance) P-C4' energy: -105.958 flat angles C4'-P-C4' energy: -115.132 flat angles P-C4'-P energy: -75.747 tors. eta vs tors. theta energy: -161.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1649.757423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.757423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.757423 (E_RNA) where: Base-Base interactions energy: -1137.893 where: short stacking energy: -460.608 Base-Backbone interact. energy: -1.341 local terms energy: -510.523415 where: bonds (distance) C4'-P energy: -82.435 bonds (distance) P-C4' energy: -97.406 flat angles C4'-P-C4' energy: -106.213 flat angles P-C4'-P energy: -75.790 tors. eta vs tors. theta energy: -148.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -1492.845525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.845525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.845525 (E_RNA) where: Base-Base interactions energy: -1022.409 where: short stacking energy: -432.531 Base-Backbone interact. energy: -1.073 local terms energy: -469.363867 where: bonds (distance) C4'-P energy: -86.382 bonds (distance) P-C4' energy: -88.274 flat angles C4'-P-C4' energy: -94.718 flat angles P-C4'-P energy: -67.734 tors. eta vs tors. theta energy: -132.256 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: 1 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1531.489837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.489837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.489837 (E_RNA) where: Base-Base interactions energy: -1064.438 where: short stacking energy: -441.296 Base-Backbone interact. energy: 0.606 local terms energy: -467.658622 where: bonds (distance) C4'-P energy: -80.191 bonds (distance) P-C4' energy: -91.654 flat angles C4'-P-C4' energy: -93.643 flat angles P-C4'-P energy: -73.122 tors. eta vs tors. theta energy: -129.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1365.882111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.882111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.882111 (E_RNA) where: Base-Base interactions energy: -945.585 where: short stacking energy: -386.499 Base-Backbone interact. energy: 1.505 local terms energy: -421.801952 where: bonds (distance) C4'-P energy: -82.500 bonds (distance) P-C4' energy: -64.433 flat angles C4'-P-C4' energy: -98.888 flat angles P-C4'-P energy: -70.607 tors. eta vs tors. theta energy: -105.375 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: 8, replica: 2 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1273.716972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.716972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.716972 (E_RNA) where: Base-Base interactions energy: -859.707 where: short stacking energy: -360.050 Base-Backbone interact. energy: 3.456 local terms energy: -417.465133 where: bonds (distance) C4'-P energy: -84.460 bonds (distance) P-C4' energy: -80.216 flat angles C4'-P-C4' energy: -89.882 flat angles P-C4'-P energy: -59.380 tors. eta vs tors. theta energy: -103.527 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: 6 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -1236.142156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.142156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.142156 (E_RNA) where: Base-Base interactions energy: -842.149 where: short stacking energy: -357.051 Base-Backbone interact. energy: -2.132 local terms energy: -391.860679 where: bonds (distance) C4'-P energy: -53.340 bonds (distance) P-C4' energy: -87.032 flat angles C4'-P-C4' energy: -95.360 flat angles P-C4'-P energy: -61.677 tors. eta vs tors. theta energy: -94.453 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: 7 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -941.803751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.803751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.803751 (E_RNA) where: Base-Base interactions energy: -604.309 where: short stacking energy: -262.345 Base-Backbone interact. energy: 2.941 local terms energy: -340.435835 where: bonds (distance) C4'-P energy: -72.372 bonds (distance) P-C4' energy: -69.558 flat angles C4'-P-C4' energy: -78.927 flat angles P-C4'-P energy: -62.219 tors. eta vs tors. theta energy: -57.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1912.341382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.341382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.341382 (E_RNA) where: Base-Base interactions energy: -1360.261 where: short stacking energy: -531.302 Base-Backbone interact. energy: -1.305 local terms energy: -550.775156 where: bonds (distance) C4'-P energy: -94.535 bonds (distance) P-C4' energy: -97.261 flat angles C4'-P-C4' energy: -113.756 flat angles P-C4'-P energy: -78.458 tors. eta vs tors. theta energy: -166.766 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: 9 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1781.637692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.637692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.637692 (E_RNA) where: Base-Base interactions energy: -1249.233 where: short stacking energy: -514.447 Base-Backbone interact. energy: 0.909 local terms energy: -533.314064 where: bonds (distance) C4'-P energy: -100.635 bonds (distance) P-C4' energy: -81.774 flat angles C4'-P-C4' energy: -115.936 flat angles P-C4'-P energy: -80.571 tors. eta vs tors. theta energy: -154.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1776.635809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.635809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.635809 (E_RNA) where: Base-Base interactions energy: -1230.640 where: short stacking energy: -520.584 Base-Backbone interact. energy: -4.152 local terms energy: -541.844378 where: bonds (distance) C4'-P energy: -96.288 bonds (distance) P-C4' energy: -91.121 flat angles C4'-P-C4' energy: -117.211 flat angles P-C4'-P energy: -73.502 tors. eta vs tors. theta energy: -163.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1669.754069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.754069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.754069 (E_RNA) where: Base-Base interactions energy: -1170.633 where: short stacking energy: -486.235 Base-Backbone interact. energy: -2.016 local terms energy: -497.105154 where: bonds (distance) C4'-P energy: -89.250 bonds (distance) P-C4' energy: -86.680 flat angles C4'-P-C4' energy: -102.873 flat angles P-C4'-P energy: -70.303 tors. eta vs tors. theta energy: -148.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1483.365268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.365268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.365268 (E_RNA) where: Base-Base interactions energy: -1022.698 where: short stacking energy: -417.179 Base-Backbone interact. energy: -0.702 local terms energy: -459.965216 where: bonds (distance) C4'-P energy: -85.284 bonds (distance) P-C4' energy: -82.286 flat angles C4'-P-C4' energy: -108.497 flat angles P-C4'-P energy: -59.128 tors. eta vs tors. theta energy: -124.771 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: 1 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1544.065611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.065611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.065611 (E_RNA) where: Base-Base interactions energy: -1102.772 where: short stacking energy: -442.303 Base-Backbone interact. energy: -0.234 local terms energy: -441.059256 where: bonds (distance) C4'-P energy: -77.672 bonds (distance) P-C4' energy: -81.912 flat angles C4'-P-C4' energy: -87.976 flat angles P-C4'-P energy: -65.099 tors. eta vs tors. theta energy: -128.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1326.871853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.871853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.871853 (E_RNA) where: Base-Base interactions energy: -926.093 where: short stacking energy: -382.223 Base-Backbone interact. energy: 0.408 local terms energy: -401.187059 where: bonds (distance) C4'-P energy: -67.858 bonds (distance) P-C4' energy: -82.434 flat angles C4'-P-C4' energy: -94.172 flat angles P-C4'-P energy: -55.768 tors. eta vs tors. theta energy: -100.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1302.961180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.961180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.961180 (E_RNA) where: Base-Base interactions energy: -889.133 where: short stacking energy: -377.301 Base-Backbone interact. energy: -0.072 local terms energy: -413.756040 where: bonds (distance) C4'-P energy: -78.538 bonds (distance) P-C4' energy: -80.483 flat angles C4'-P-C4' energy: -89.237 flat angles P-C4'-P energy: -56.190 tors. eta vs tors. theta energy: -109.308 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: 6 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -1214.000801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.000801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.000801 (E_RNA) where: Base-Base interactions energy: -825.315 where: short stacking energy: -334.303 Base-Backbone interact. energy: 2.451 local terms energy: -391.136703 where: bonds (distance) C4'-P energy: -67.780 bonds (distance) P-C4' energy: -84.371 flat angles C4'-P-C4' energy: -89.369 flat angles P-C4'-P energy: -64.907 tors. eta vs tors. theta energy: -84.709 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: 10, replica: 7 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -958.102380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.102380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.102380 (E_RNA) where: Base-Base interactions energy: -645.222 where: short stacking energy: -276.562 Base-Backbone interact. energy: -0.690 local terms energy: -312.191133 where: bonds (distance) C4'-P energy: -73.585 bonds (distance) P-C4' energy: -78.182 flat angles C4'-P-C4' energy: -65.758 flat angles P-C4'-P energy: -46.799 tors. eta vs tors. theta energy: -47.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1911.779127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.779127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.779127 (E_RNA) where: Base-Base interactions energy: -1345.850 where: short stacking energy: -519.655 Base-Backbone interact. energy: 0.544 local terms energy: -566.472897 where: bonds (distance) C4'-P energy: -104.645 bonds (distance) P-C4' energy: -100.701 flat angles C4'-P-C4' energy: -117.969 flat angles P-C4'-P energy: -75.523 tors. eta vs tors. theta energy: -167.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1803.788779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.788779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.788779 (E_RNA) where: Base-Base interactions energy: -1256.358 where: short stacking energy: -513.384 Base-Backbone interact. energy: 2.088 local terms energy: -549.518502 where: bonds (distance) C4'-P energy: -104.379 bonds (distance) P-C4' energy: -87.554 flat angles C4'-P-C4' energy: -115.074 flat angles P-C4'-P energy: -83.698 tors. eta vs tors. theta energy: -158.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1749.606110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.606110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.606110 (E_RNA) where: Base-Base interactions energy: -1233.723 where: short stacking energy: -532.097 Base-Backbone interact. energy: -0.804 local terms energy: -515.078465 where: bonds (distance) C4'-P energy: -82.130 bonds (distance) P-C4' energy: -84.560 flat angles C4'-P-C4' energy: -104.004 flat angles P-C4'-P energy: -80.331 tors. eta vs tors. theta energy: -164.053 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: 8 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1644.226755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.226755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.226755 (E_RNA) where: Base-Base interactions energy: -1139.265 where: short stacking energy: -473.763 Base-Backbone interact. energy: 0.012 local terms energy: -504.974043 where: bonds (distance) C4'-P energy: -89.966 bonds (distance) P-C4' energy: -85.718 flat angles C4'-P-C4' energy: -99.217 flat angles P-C4'-P energy: -79.353 tors. eta vs tors. theta energy: -150.721 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: 1 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1596.809104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.809104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.809104 (E_RNA) where: Base-Base interactions energy: -1121.845 where: short stacking energy: -448.169 Base-Backbone interact. energy: -0.645 local terms energy: -474.319445 where: bonds (distance) C4'-P energy: -86.952 bonds (distance) P-C4' energy: -84.469 flat angles C4'-P-C4' energy: -94.503 flat angles P-C4'-P energy: -76.232 tors. eta vs tors. theta energy: -132.164 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: 5 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1444.766200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.766200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.766200 (E_RNA) where: Base-Base interactions energy: -983.314 where: short stacking energy: -385.648 Base-Backbone interact. energy: -1.679 local terms energy: -459.772942 where: bonds (distance) C4'-P energy: -96.643 bonds (distance) P-C4' energy: -90.459 flat angles C4'-P-C4' energy: -100.898 flat angles P-C4'-P energy: -50.931 tors. eta vs tors. theta energy: -120.842 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: 10 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1332.292291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.292291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.292291 (E_RNA) where: Base-Base interactions energy: -903.680 where: short stacking energy: -380.416 Base-Backbone interact. energy: 0.354 local terms energy: -428.965701 where: bonds (distance) C4'-P energy: -78.913 bonds (distance) P-C4' energy: -79.600 flat angles C4'-P-C4' energy: -97.405 flat angles P-C4'-P energy: -62.490 tors. eta vs tors. theta energy: -110.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1257.099478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.099478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.099478 (E_RNA) where: Base-Base interactions energy: -836.917 where: short stacking energy: -344.780 Base-Backbone interact. energy: 1.420 local terms energy: -421.602695 where: bonds (distance) C4'-P energy: -79.166 bonds (distance) P-C4' energy: -79.650 flat angles C4'-P-C4' energy: -96.243 flat angles P-C4'-P energy: -65.306 tors. eta vs tors. theta energy: -101.237 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: 6 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -1215.547225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.547225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.547225 (E_RNA) where: Base-Base interactions energy: -832.448 where: short stacking energy: -350.841 Base-Backbone interact. energy: -0.580 local terms energy: -382.519652 where: bonds (distance) C4'-P energy: -77.188 bonds (distance) P-C4' energy: -73.432 flat angles C4'-P-C4' energy: -84.250 flat angles P-C4'-P energy: -48.708 tors. eta vs tors. theta energy: -98.941 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: 10, replica: 7 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -890.817801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.817801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.817801 (E_RNA) where: Base-Base interactions energy: -579.589 where: short stacking energy: -250.813 Base-Backbone interact. energy: 1.489 local terms energy: -312.717857 where: bonds (distance) C4'-P energy: -78.761 bonds (distance) P-C4' energy: -71.007 flat angles C4'-P-C4' energy: -64.132 flat angles P-C4'-P energy: -54.765 tors. eta vs tors. theta energy: -44.052 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: 4 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1904.219658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.219658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.219658 (E_RNA) where: Base-Base interactions energy: -1355.147 where: short stacking energy: -531.766 Base-Backbone interact. energy: -1.235 local terms energy: -547.838259 where: bonds (distance) C4'-P energy: -102.303 bonds (distance) P-C4' energy: -97.288 flat angles C4'-P-C4' energy: -112.916 flat angles P-C4'-P energy: -71.734 tors. eta vs tors. theta energy: -163.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1788.332726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.332726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.332726 (E_RNA) where: Base-Base interactions energy: -1248.927 where: short stacking energy: -498.003 Base-Backbone interact. energy: 0.002 local terms energy: -539.407741 where: bonds (distance) C4'-P energy: -95.925 bonds (distance) P-C4' energy: -96.535 flat angles C4'-P-C4' energy: -111.511 flat angles P-C4'-P energy: -85.751 tors. eta vs tors. theta energy: -149.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1740.545441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.545441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.545441 (E_RNA) where: Base-Base interactions energy: -1208.247 where: short stacking energy: -518.569 Base-Backbone interact. energy: -1.038 local terms energy: -531.259835 where: bonds (distance) C4'-P energy: -90.043 bonds (distance) P-C4' energy: -93.609 flat angles C4'-P-C4' energy: -114.926 flat angles P-C4'-P energy: -78.826 tors. eta vs tors. theta energy: -153.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -1624.308908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.308908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.308908 (E_RNA) where: Base-Base interactions energy: -1123.999 where: short stacking energy: -457.291 Base-Backbone interact. energy: -1.837 local terms energy: -498.473592 where: bonds (distance) C4'-P energy: -82.150 bonds (distance) P-C4' energy: -82.723 flat angles C4'-P-C4' energy: -111.729 flat angles P-C4'-P energy: -69.205 tors. eta vs tors. theta energy: -152.667 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: 1 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -1625.362270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.362270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.362270 (E_RNA) where: Base-Base interactions energy: -1136.848 where: short stacking energy: -476.543 Base-Backbone interact. energy: -0.615 local terms energy: -487.898952 where: bonds (distance) C4'-P energy: -90.315 bonds (distance) P-C4' energy: -79.318 flat angles C4'-P-C4' energy: -102.769 flat angles P-C4'-P energy: -69.676 tors. eta vs tors. theta energy: -145.821 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: 6, replica: 5 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1454.985797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.985797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.985797 (E_RNA) where: Base-Base interactions energy: -1014.154 where: short stacking energy: -438.052 Base-Backbone interact. energy: -0.582 local terms energy: -440.250079 where: bonds (distance) C4'-P energy: -69.819 bonds (distance) P-C4' energy: -79.813 flat angles C4'-P-C4' energy: -103.242 flat angles P-C4'-P energy: -62.533 tors. eta vs tors. theta energy: -124.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1343.850256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.850256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.850256 (E_RNA) where: Base-Base interactions energy: -897.976 where: short stacking energy: -381.534 Base-Backbone interact. energy: -0.421 local terms energy: -445.452787 where: bonds (distance) C4'-P energy: -82.855 bonds (distance) P-C4' energy: -93.818 flat angles C4'-P-C4' energy: -94.860 flat angles P-C4'-P energy: -65.253 tors. eta vs tors. theta energy: -108.666 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: 2 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1278.178822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.178822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.178822 (E_RNA) where: Base-Base interactions energy: -879.474 where: short stacking energy: -372.055 Base-Backbone interact. energy: 0.339 local terms energy: -399.043023 where: bonds (distance) C4'-P energy: -62.228 bonds (distance) P-C4' energy: -81.170 flat angles C4'-P-C4' energy: -87.410 flat angles P-C4'-P energy: -65.210 tors. eta vs tors. theta energy: -103.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -1251.560174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.560174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.560174 (E_RNA) where: Base-Base interactions energy: -850.187 where: short stacking energy: -355.379 Base-Backbone interact. energy: 0.457 local terms energy: -401.830734 where: bonds (distance) C4'-P energy: -84.911 bonds (distance) P-C4' energy: -70.893 flat angles C4'-P-C4' energy: -82.897 flat angles P-C4'-P energy: -70.702 tors. eta vs tors. theta energy: -92.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -855.134920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.134920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.134920 (E_RNA) where: Base-Base interactions energy: -565.615 where: short stacking energy: -258.061 Base-Backbone interact. energy: -2.410 local terms energy: -287.110338 where: bonds (distance) C4'-P energy: -56.374 bonds (distance) P-C4' energy: -72.800 flat angles C4'-P-C4' energy: -70.453 flat angles P-C4'-P energy: -34.414 tors. eta vs tors. theta energy: -53.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1925.880018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.880018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.880018 (E_RNA) where: Base-Base interactions energy: -1342.812 where: short stacking energy: -541.107 Base-Backbone interact. energy: 0.757 local terms energy: -583.825219 where: bonds (distance) C4'-P energy: -112.004 bonds (distance) P-C4' energy: -100.854 flat angles C4'-P-C4' energy: -119.141 flat angles P-C4'-P energy: -83.789 tors. eta vs tors. theta energy: -168.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1811.664948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.664948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.664948 (E_RNA) where: Base-Base interactions energy: -1286.086 where: short stacking energy: -517.900 Base-Backbone interact. energy: -0.847 local terms energy: -524.731857 where: bonds (distance) C4'-P energy: -94.221 bonds (distance) P-C4' energy: -104.300 flat angles C4'-P-C4' energy: -98.144 flat angles P-C4'-P energy: -80.830 tors. eta vs tors. theta energy: -147.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1750.664799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.664799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.664799 (E_RNA) where: Base-Base interactions energy: -1205.545 where: short stacking energy: -501.812 Base-Backbone interact. energy: 2.343 local terms energy: -547.463016 where: bonds (distance) C4'-P energy: -88.123 bonds (distance) P-C4' energy: -92.525 flat angles C4'-P-C4' energy: -121.799 flat angles P-C4'-P energy: -86.034 tors. eta vs tors. theta energy: -158.982 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: 8 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1613.228535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.228535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.228535 (E_RNA) where: Base-Base interactions energy: -1129.586 where: short stacking energy: -441.573 Base-Backbone interact. energy: -1.014 local terms energy: -482.628017 where: bonds (distance) C4'-P energy: -89.559 bonds (distance) P-C4' energy: -88.279 flat angles C4'-P-C4' energy: -97.609 flat angles P-C4'-P energy: -76.402 tors. eta vs tors. theta energy: -130.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1627.534921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.534921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.534921 (E_RNA) where: Base-Base interactions energy: -1136.041 where: short stacking energy: -456.480 Base-Backbone interact. energy: -0.167 local terms energy: -491.326929 where: bonds (distance) C4'-P energy: -80.263 bonds (distance) P-C4' energy: -95.349 flat angles C4'-P-C4' energy: -100.532 flat angles P-C4'-P energy: -74.494 tors. eta vs tors. theta energy: -140.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1440.507086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.507086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.507086 (E_RNA) where: Base-Base interactions energy: -993.287 where: short stacking energy: -394.613 Base-Backbone interact. energy: -1.259 local terms energy: -445.960809 where: bonds (distance) C4'-P energy: -77.378 bonds (distance) P-C4' energy: -83.834 flat angles C4'-P-C4' energy: -104.538 flat angles P-C4'-P energy: -63.704 tors. eta vs tors. theta energy: -116.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1333.033885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.033885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.033885 (E_RNA) where: Base-Base interactions energy: -919.906 where: short stacking energy: -383.378 Base-Backbone interact. energy: 4.414 local terms energy: -417.541410 where: bonds (distance) C4'-P energy: -79.473 bonds (distance) P-C4' energy: -87.940 flat angles C4'-P-C4' energy: -94.467 flat angles P-C4'-P energy: -49.715 tors. eta vs tors. theta energy: -105.946 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: 8, replica: 2 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1304.506328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.506328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.506328 (E_RNA) where: Base-Base interactions energy: -886.510 where: short stacking energy: -353.848 Base-Backbone interact. energy: -0.986 local terms energy: -417.010300 where: bonds (distance) C4'-P energy: -80.280 bonds (distance) P-C4' energy: -73.639 flat angles C4'-P-C4' energy: -87.997 flat angles P-C4'-P energy: -77.905 tors. eta vs tors. theta energy: -97.190 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: 6 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -1237.413010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.413010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.413010 (E_RNA) where: Base-Base interactions energy: -854.092 where: short stacking energy: -350.558 Base-Backbone interact. energy: -0.198 local terms energy: -383.122587 where: bonds (distance) C4'-P energy: -73.879 bonds (distance) P-C4' energy: -85.892 flat angles C4'-P-C4' energy: -75.070 flat angles P-C4'-P energy: -57.754 tors. eta vs tors. theta energy: -90.528 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: 7 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -888.551109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.551109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.551109 (E_RNA) where: Base-Base interactions energy: -587.381 where: short stacking energy: -260.529 Base-Backbone interact. energy: -1.169 local terms energy: -300.000960 where: bonds (distance) C4'-P energy: -46.281 bonds (distance) P-C4' energy: -69.665 flat angles C4'-P-C4' energy: -82.875 flat angles P-C4'-P energy: -55.532 tors. eta vs tors. theta energy: -45.648 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: 4 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1921.115256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.115256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.115256 (E_RNA) where: Base-Base interactions energy: -1367.502 where: short stacking energy: -534.110 Base-Backbone interact. energy: -1.739 local terms energy: -551.874893 where: bonds (distance) C4'-P energy: -103.975 bonds (distance) P-C4' energy: -97.344 flat angles C4'-P-C4' energy: -108.430 flat angles P-C4'-P energy: -71.849 tors. eta vs tors. theta energy: -170.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1776.653366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.653366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.653366 (E_RNA) where: Base-Base interactions energy: -1257.455 where: short stacking energy: -493.951 Base-Backbone interact. energy: -2.669 local terms energy: -516.528670 where: bonds (distance) C4'-P energy: -86.218 bonds (distance) P-C4' energy: -95.736 flat angles C4'-P-C4' energy: -107.417 flat angles P-C4'-P energy: -79.288 tors. eta vs tors. theta energy: -147.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -1728.060651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.060651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.060651 (E_RNA) where: Base-Base interactions energy: -1202.559 where: short stacking energy: -509.930 Base-Backbone interact. energy: 2.824 local terms energy: -528.326098 where: bonds (distance) C4'-P energy: -101.361 bonds (distance) P-C4' energy: -83.264 flat angles C4'-P-C4' energy: -112.028 flat angles P-C4'-P energy: -77.554 tors. eta vs tors. theta energy: -154.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1630.032383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.032383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.032383 (E_RNA) where: Base-Base interactions energy: -1128.244 where: short stacking energy: -470.323 Base-Backbone interact. energy: -2.563 local terms energy: -499.225186 where: bonds (distance) C4'-P energy: -87.151 bonds (distance) P-C4' energy: -89.431 flat angles C4'-P-C4' energy: -96.278 flat angles P-C4'-P energy: -82.596 tors. eta vs tors. theta energy: -143.769 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: 5, replica: 1 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -1637.525688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.525688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.525688 (E_RNA) where: Base-Base interactions energy: -1147.021 where: short stacking energy: -468.492 Base-Backbone interact. energy: 0.069 local terms energy: -490.574172 where: bonds (distance) C4'-P energy: -73.431 bonds (distance) P-C4' energy: -88.976 flat angles C4'-P-C4' energy: -105.453 flat angles P-C4'-P energy: -81.179 tors. eta vs tors. theta energy: -141.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -1447.770394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.770394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.770394 (E_RNA) where: Base-Base interactions energy: -1005.547 where: short stacking energy: -416.671 Base-Backbone interact. energy: -0.999 local terms energy: -441.224347 where: bonds (distance) C4'-P energy: -76.680 bonds (distance) P-C4' energy: -86.622 flat angles C4'-P-C4' energy: -104.281 flat angles P-C4'-P energy: -53.615 tors. eta vs tors. theta energy: -120.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1337.718457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.718457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.718457 (E_RNA) where: Base-Base interactions energy: -918.222 where: short stacking energy: -385.686 Base-Backbone interact. energy: -0.375 local terms energy: -419.120994 where: bonds (distance) C4'-P energy: -67.311 bonds (distance) P-C4' energy: -87.748 flat angles C4'-P-C4' energy: -87.760 flat angles P-C4'-P energy: -71.911 tors. eta vs tors. theta energy: -104.392 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: 2 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1298.904174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.904174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.904174 (E_RNA) where: Base-Base interactions energy: -890.950 where: short stacking energy: -370.417 Base-Backbone interact. energy: 2.762 local terms energy: -410.716512 where: bonds (distance) C4'-P energy: -70.797 bonds (distance) P-C4' energy: -86.942 flat angles C4'-P-C4' energy: -91.728 flat angles P-C4'-P energy: -58.671 tors. eta vs tors. theta energy: -102.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -1210.028618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.028618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.028618 (E_RNA) where: Base-Base interactions energy: -828.263 where: short stacking energy: -353.912 Base-Backbone interact. energy: -0.508 local terms energy: -381.257564 where: bonds (distance) C4'-P energy: -73.871 bonds (distance) P-C4' energy: -79.806 flat angles C4'-P-C4' energy: -81.184 flat angles P-C4'-P energy: -56.483 tors. eta vs tors. theta energy: -89.913 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: 345 Temperature: 1.350000 Total energy: -911.557647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.557647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.557647 (E_RNA) where: Base-Base interactions energy: -589.522 where: short stacking energy: -258.391 Base-Backbone interact. energy: -0.067 local terms energy: -321.967872 where: bonds (distance) C4'-P energy: -100.768 bonds (distance) P-C4' energy: -65.030 flat angles C4'-P-C4' energy: -72.008 flat angles P-C4'-P energy: -32.048 tors. eta vs tors. theta energy: -52.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1919.551561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.551561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.551561 (E_RNA) where: Base-Base interactions energy: -1344.827 where: short stacking energy: -529.671 Base-Backbone interact. energy: -1.231 local terms energy: -573.493401 where: bonds (distance) C4'-P energy: -99.191 bonds (distance) P-C4' energy: -105.999 flat angles C4'-P-C4' energy: -120.694 flat angles P-C4'-P energy: -83.581 tors. eta vs tors. theta energy: -164.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1786.708491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.708491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.708491 (E_RNA) where: Base-Base interactions energy: -1283.461 where: short stacking energy: -492.462 Base-Backbone interact. energy: -1.078 local terms energy: -502.169192 where: bonds (distance) C4'-P energy: -77.752 bonds (distance) P-C4' energy: -80.793 flat angles C4'-P-C4' energy: -111.015 flat angles P-C4'-P energy: -79.044 tors. eta vs tors. theta energy: -153.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1751.118728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.118728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.118728 (E_RNA) where: Base-Base interactions energy: -1231.263 where: short stacking energy: -516.982 Base-Backbone interact. energy: 0.136 local terms energy: -519.991678 where: bonds (distance) C4'-P energy: -93.010 bonds (distance) P-C4' energy: -89.380 flat angles C4'-P-C4' energy: -106.993 flat angles P-C4'-P energy: -69.766 tors. eta vs tors. theta energy: -160.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1594.804767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.804767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.804767 (E_RNA) where: Base-Base interactions energy: -1117.641 where: short stacking energy: -473.092 Base-Backbone interact. energy: -1.628 local terms energy: -475.535542 where: bonds (distance) C4'-P energy: -71.400 bonds (distance) P-C4' energy: -88.567 flat angles C4'-P-C4' energy: -103.152 flat angles P-C4'-P energy: -76.703 tors. eta vs tors. theta energy: -135.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1636.747747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.747747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.747747 (E_RNA) where: Base-Base interactions energy: -1160.649 where: short stacking energy: -478.232 Base-Backbone interact. energy: 0.786 local terms energy: -476.884068 where: bonds (distance) C4'-P energy: -84.263 bonds (distance) P-C4' energy: -82.051 flat angles C4'-P-C4' energy: -106.630 flat angles P-C4'-P energy: -58.211 tors. eta vs tors. theta energy: -145.729 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: 5 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1480.601249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.601249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.601249 (E_RNA) where: Base-Base interactions energy: -1015.215 where: short stacking energy: -406.793 Base-Backbone interact. energy: -1.462 local terms energy: -463.923826 where: bonds (distance) C4'-P energy: -90.408 bonds (distance) P-C4' energy: -90.133 flat angles C4'-P-C4' energy: -91.169 flat angles P-C4'-P energy: -71.541 tors. eta vs tors. theta energy: -120.673 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: 2 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1331.464316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.464316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.464316 (E_RNA) where: Base-Base interactions energy: -905.355 where: short stacking energy: -395.332 Base-Backbone interact. energy: 0.514 local terms energy: -426.623253 where: bonds (distance) C4'-P energy: -76.890 bonds (distance) P-C4' energy: -70.623 flat angles C4'-P-C4' energy: -102.424 flat angles P-C4'-P energy: -61.478 tors. eta vs tors. theta energy: -115.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1327.654688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.654688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.654688 (E_RNA) where: Base-Base interactions energy: -907.304 where: short stacking energy: -367.397 Base-Backbone interact. energy: 0.898 local terms energy: -421.249550 where: bonds (distance) C4'-P energy: -83.002 bonds (distance) P-C4' energy: -80.270 flat angles C4'-P-C4' energy: -99.345 flat angles P-C4'-P energy: -58.115 tors. eta vs tors. theta energy: -100.517 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: 6 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -1216.129574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.129574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.129574 (E_RNA) where: Base-Base interactions energy: -808.429 where: short stacking energy: -337.052 Base-Backbone interact. energy: -1.884 local terms energy: -405.816747 where: bonds (distance) C4'-P energy: -89.550 bonds (distance) P-C4' energy: -74.836 flat angles C4'-P-C4' energy: -83.373 flat angles P-C4'-P energy: -63.471 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: 10, replica: 7 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -926.062590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.062590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.062590 (E_RNA) where: Base-Base interactions energy: -566.355 where: short stacking energy: -251.242 Base-Backbone interact. energy: -0.729 local terms energy: -358.978745 where: bonds (distance) C4'-P energy: -66.573 bonds (distance) P-C4' energy: -96.464 flat angles C4'-P-C4' energy: -88.553 flat angles P-C4'-P energy: -52.114 tors. eta vs tors. theta energy: -55.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1913.915885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.915885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.915885 (E_RNA) where: Base-Base interactions energy: -1357.733 where: short stacking energy: -546.397 Base-Backbone interact. energy: -1.953 local terms energy: -554.229571 where: bonds (distance) C4'-P energy: -100.578 bonds (distance) P-C4' energy: -98.446 flat angles C4'-P-C4' energy: -107.247 flat angles P-C4'-P energy: -78.671 tors. eta vs tors. theta energy: -169.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1817.643056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.643056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.643056 (E_RNA) where: Base-Base interactions energy: -1257.837 where: short stacking energy: -501.982 Base-Backbone interact. energy: -0.505 local terms energy: -559.301084 where: bonds (distance) C4'-P energy: -105.899 bonds (distance) P-C4' energy: -96.961 flat angles C4'-P-C4' energy: -115.567 flat angles P-C4'-P energy: -87.140 tors. eta vs tors. theta energy: -153.733 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: 3 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1762.400022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.400022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.400022 (E_RNA) where: Base-Base interactions energy: -1231.243 where: short stacking energy: -516.111 Base-Backbone interact. energy: -0.190 local terms energy: -530.967104 where: bonds (distance) C4'-P energy: -95.657 bonds (distance) P-C4' energy: -86.358 flat angles C4'-P-C4' energy: -112.615 flat angles P-C4'-P energy: -73.027 tors. eta vs tors. theta energy: -163.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1649.223772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.223772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.223772 (E_RNA) where: Base-Base interactions energy: -1148.098 where: short stacking energy: -472.071 Base-Backbone interact. energy: -1.697 local terms energy: -499.428412 where: bonds (distance) C4'-P energy: -94.230 bonds (distance) P-C4' energy: -85.921 flat angles C4'-P-C4' energy: -104.757 flat angles P-C4'-P energy: -69.301 tors. eta vs tors. theta energy: -145.220 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: 8 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -1585.900625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.900625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.900625 (E_RNA) where: Base-Base interactions energy: -1092.174 where: short stacking energy: -434.975 Base-Backbone interact. energy: -0.031 local terms energy: -493.695581 where: bonds (distance) C4'-P energy: -86.184 bonds (distance) P-C4' energy: -89.803 flat angles C4'-P-C4' energy: -109.253 flat angles P-C4'-P energy: -73.343 tors. eta vs tors. theta energy: -135.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1449.540451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.540451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.540451 (E_RNA) where: Base-Base interactions energy: -1000.665 where: short stacking energy: -411.425 Base-Backbone interact. energy: -2.343 local terms energy: -446.532285 where: bonds (distance) C4'-P energy: -73.707 bonds (distance) P-C4' energy: -91.005 flat angles C4'-P-C4' energy: -99.307 flat angles P-C4'-P energy: -66.157 tors. eta vs tors. theta energy: -116.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1321.461184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.461184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.461184 (E_RNA) where: Base-Base interactions energy: -903.798 where: short stacking energy: -376.130 Base-Backbone interact. energy: -2.259 local terms energy: -415.403746 where: bonds (distance) C4'-P energy: -79.332 bonds (distance) P-C4' energy: -75.673 flat angles C4'-P-C4' energy: -99.873 flat angles P-C4'-P energy: -54.344 tors. eta vs tors. theta energy: -106.182 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: 347 Temperature: 1.250000 Total energy: -1332.107778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.107778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.107778 (E_RNA) where: Base-Base interactions energy: -895.848 where: short stacking energy: -372.992 Base-Backbone interact. energy: -1.865 local terms energy: -434.394647 where: bonds (distance) C4'-P energy: -87.425 bonds (distance) P-C4' energy: -89.415 flat angles C4'-P-C4' energy: -86.461 flat angles P-C4'-P energy: -67.627 tors. eta vs tors. theta energy: -103.465 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: 6 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -1201.916624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.916624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.916624 (E_RNA) where: Base-Base interactions energy: -801.608 where: short stacking energy: -330.163 Base-Backbone interact. energy: -0.880 local terms energy: -399.428549 where: bonds (distance) C4'-P energy: -73.441 bonds (distance) P-C4' energy: -78.951 flat angles C4'-P-C4' energy: -90.471 flat angles P-C4'-P energy: -59.961 tors. eta vs tors. theta energy: -96.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -910.683925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.683925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.683925 (E_RNA) where: Base-Base interactions energy: -579.499 where: short stacking energy: -248.741 Base-Backbone interact. energy: -0.672 local terms energy: -330.513389 where: bonds (distance) C4'-P energy: -78.871 bonds (distance) P-C4' energy: -80.855 flat angles C4'-P-C4' energy: -84.589 flat angles P-C4'-P energy: -44.521 tors. eta vs tors. theta energy: -41.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1901.690231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.690231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.690231 (E_RNA) where: Base-Base interactions energy: -1372.069 where: short stacking energy: -531.080 Base-Backbone interact. energy: 0.070 local terms energy: -529.690697 where: bonds (distance) C4'-P energy: -93.397 bonds (distance) P-C4' energy: -95.201 flat angles C4'-P-C4' energy: -109.015 flat angles P-C4'-P energy: -69.329 tors. eta vs tors. theta energy: -162.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1829.293038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.293038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.293038 (E_RNA) where: Base-Base interactions energy: -1293.273 where: short stacking energy: -515.616 Base-Backbone interact. energy: 0.241 local terms energy: -536.260556 where: bonds (distance) C4'-P energy: -89.597 bonds (distance) P-C4' energy: -90.674 flat angles C4'-P-C4' energy: -115.009 flat angles P-C4'-P energy: -88.680 tors. eta vs tors. theta energy: -152.301 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: 3 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1754.079286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.079286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.079286 (E_RNA) where: Base-Base interactions energy: -1250.039 where: short stacking energy: -504.465 Base-Backbone interact. energy: -2.063 local terms energy: -501.976886 where: bonds (distance) C4'-P energy: -87.520 bonds (distance) P-C4' energy: -90.417 flat angles C4'-P-C4' energy: -103.293 flat angles P-C4'-P energy: -66.200 tors. eta vs tors. theta energy: -154.547 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: 1 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1702.443991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.443991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.443991 (E_RNA) where: Base-Base interactions energy: -1190.760 where: short stacking energy: -481.793 Base-Backbone interact. energy: -0.779 local terms energy: -510.905234 where: bonds (distance) C4'-P energy: -79.490 bonds (distance) P-C4' energy: -90.205 flat angles C4'-P-C4' energy: -113.789 flat angles P-C4'-P energy: -73.815 tors. eta vs tors. theta energy: -153.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -1592.913740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.913740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.913740 (E_RNA) where: Base-Base interactions energy: -1106.808 where: short stacking energy: -470.793 Base-Backbone interact. energy: -0.941 local terms energy: -485.165188 where: bonds (distance) C4'-P energy: -80.852 bonds (distance) P-C4' energy: -83.264 flat angles C4'-P-C4' energy: -96.593 flat angles P-C4'-P energy: -75.145 tors. eta vs tors. theta energy: -149.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1436.455323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.455323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.455323 (E_RNA) where: Base-Base interactions energy: -991.121 where: short stacking energy: -410.022 Base-Backbone interact. energy: -0.387 local terms energy: -444.947303 where: bonds (distance) C4'-P energy: -90.395 bonds (distance) P-C4' energy: -95.882 flat angles C4'-P-C4' energy: -87.182 flat angles P-C4'-P energy: -57.747 tors. eta vs tors. theta energy: -113.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1348.753412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.753412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.753412 (E_RNA) where: Base-Base interactions energy: -928.042 where: short stacking energy: -365.317 Base-Backbone interact. energy: 0.465 local terms energy: -421.176180 where: bonds (distance) C4'-P energy: -73.761 bonds (distance) P-C4' energy: -86.874 flat angles C4'-P-C4' energy: -93.694 flat angles P-C4'-P energy: -62.270 tors. eta vs tors. theta energy: -104.576 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: 10 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1303.110477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.110477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.110477 (E_RNA) where: Base-Base interactions energy: -890.099 where: short stacking energy: -359.664 Base-Backbone interact. energy: -0.903 local terms energy: -412.108155 where: bonds (distance) C4'-P energy: -66.804 bonds (distance) P-C4' energy: -74.255 flat angles C4'-P-C4' energy: -102.167 flat angles P-C4'-P energy: -59.001 tors. eta vs tors. theta energy: -109.881 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: 6 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -1252.379932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.379932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.379932 (E_RNA) where: Base-Base interactions energy: -837.418 where: short stacking energy: -340.603 Base-Backbone interact. energy: 0.327 local terms energy: -415.289139 where: bonds (distance) C4'-P energy: -84.343 bonds (distance) P-C4' energy: -79.237 flat angles C4'-P-C4' energy: -91.296 flat angles P-C4'-P energy: -60.157 tors. eta vs tors. theta energy: -100.256 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: 10, replica: 7 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -953.654912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.654912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.654912 (E_RNA) where: Base-Base interactions energy: -618.920 where: short stacking energy: -249.494 Base-Backbone interact. energy: -1.794 local terms energy: -332.940688 where: bonds (distance) C4'-P energy: -84.400 bonds (distance) P-C4' energy: -75.059 flat angles C4'-P-C4' energy: -64.018 flat angles P-C4'-P energy: -45.774 tors. eta vs tors. theta energy: -63.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1923.728097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.728097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.728097 (E_RNA) where: Base-Base interactions energy: -1355.274 where: short stacking energy: -544.075 Base-Backbone interact. energy: -1.921 local terms energy: -566.533067 where: bonds (distance) C4'-P energy: -108.191 bonds (distance) P-C4' energy: -105.918 flat angles C4'-P-C4' energy: -105.717 flat angles P-C4'-P energy: -80.777 tors. eta vs tors. theta energy: -165.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1788.371350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.371350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.371350 (E_RNA) where: Base-Base interactions energy: -1271.634 where: short stacking energy: -493.918 Base-Backbone interact. energy: -0.823 local terms energy: -515.914290 where: bonds (distance) C4'-P energy: -106.065 bonds (distance) P-C4' energy: -94.463 flat angles C4'-P-C4' energy: -102.979 flat angles P-C4'-P energy: -61.185 tors. eta vs tors. theta energy: -151.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1753.379531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.379531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.379531 (E_RNA) where: Base-Base interactions energy: -1213.483 where: short stacking energy: -483.300 Base-Backbone interact. energy: -1.502 local terms energy: -538.394290 where: bonds (distance) C4'-P energy: -97.358 bonds (distance) P-C4' energy: -94.727 flat angles C4'-P-C4' energy: -111.030 flat angles P-C4'-P energy: -80.013 tors. eta vs tors. theta energy: -155.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -1653.077761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.077761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.077761 (E_RNA) where: Base-Base interactions energy: -1153.352 where: short stacking energy: -467.123 Base-Backbone interact. energy: -0.344 local terms energy: -499.381312 where: bonds (distance) C4'-P energy: -87.387 bonds (distance) P-C4' energy: -89.871 flat angles C4'-P-C4' energy: -97.272 flat angles P-C4'-P energy: -79.288 tors. eta vs tors. theta energy: -145.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -1545.699087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.699087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.699087 (E_RNA) where: Base-Base interactions energy: -1067.842 where: short stacking energy: -443.861 Base-Backbone interact. energy: 1.932 local terms energy: -479.789046 where: bonds (distance) C4'-P energy: -83.354 bonds (distance) P-C4' energy: -83.334 flat angles C4'-P-C4' energy: -110.611 flat angles P-C4'-P energy: -62.451 tors. eta vs tors. theta energy: -140.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1462.653685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.653685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.653685 (E_RNA) where: Base-Base interactions energy: -1016.567 where: short stacking energy: -422.018 Base-Backbone interact. energy: -2.617 local terms energy: -443.469776 where: bonds (distance) C4'-P energy: -77.450 bonds (distance) P-C4' energy: -75.901 flat angles C4'-P-C4' energy: -97.319 flat angles P-C4'-P energy: -68.091 tors. eta vs tors. theta energy: -124.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1316.058298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.058298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.058298 (E_RNA) where: Base-Base interactions energy: -905.471 where: short stacking energy: -380.830 Base-Backbone interact. energy: -1.138 local terms energy: -409.449459 where: bonds (distance) C4'-P energy: -83.886 bonds (distance) P-C4' energy: -74.177 flat angles C4'-P-C4' energy: -94.436 flat angles P-C4'-P energy: -52.887 tors. eta vs tors. theta energy: -104.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1282.684860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.684860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.684860 (E_RNA) where: Base-Base interactions energy: -879.230 where: short stacking energy: -364.055 Base-Backbone interact. energy: -0.506 local terms energy: -402.948771 where: bonds (distance) C4'-P energy: -64.358 bonds (distance) P-C4' energy: -83.669 flat angles C4'-P-C4' energy: -93.932 flat angles P-C4'-P energy: -63.568 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: 9, replica: 10 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -1231.026871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.026871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.026871 (E_RNA) where: Base-Base interactions energy: -820.542 where: short stacking energy: -343.882 Base-Backbone interact. energy: 0.374 local terms energy: -410.858500 where: bonds (distance) C4'-P energy: -83.536 bonds (distance) P-C4' energy: -81.624 flat angles C4'-P-C4' energy: -91.555 flat angles P-C4'-P energy: -58.506 tors. eta vs tors. theta energy: -95.637 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: 349 Temperature: 1.350000 Total energy: -969.332688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.332688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.332688 (E_RNA) where: Base-Base interactions energy: -628.775 where: short stacking energy: -280.633 Base-Backbone interact. energy: 0.988 local terms energy: -341.546234 where: bonds (distance) C4'-P energy: -76.243 bonds (distance) P-C4' energy: -62.270 flat angles C4'-P-C4' energy: -72.736 flat angles P-C4'-P energy: -63.329 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: 1, replica: 4 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1909.266313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.266313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.266313 (E_RNA) where: Base-Base interactions energy: -1344.889 where: short stacking energy: -537.706 Base-Backbone interact. energy: -1.814 local terms energy: -562.562903 where: bonds (distance) C4'-P energy: -101.346 bonds (distance) P-C4' energy: -103.260 flat angles C4'-P-C4' energy: -112.461 flat angles P-C4'-P energy: -87.228 tors. eta vs tors. theta energy: -158.268 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: 9 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1812.550339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.550339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.550339 (E_RNA) where: Base-Base interactions energy: -1288.989 where: short stacking energy: -521.456 Base-Backbone interact. energy: 1.557 local terms energy: -525.118651 where: bonds (distance) C4'-P energy: -92.249 bonds (distance) P-C4' energy: -98.464 flat angles C4'-P-C4' energy: -106.429 flat angles P-C4'-P energy: -73.348 tors. eta vs tors. theta energy: -154.629 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: 3 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1741.516067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.516067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.516067 (E_RNA) where: Base-Base interactions energy: -1208.969 where: short stacking energy: -507.283 Base-Backbone interact. energy: -0.364 local terms energy: -532.183589 where: bonds (distance) C4'-P energy: -84.026 bonds (distance) P-C4' energy: -99.810 flat angles C4'-P-C4' energy: -115.616 flat angles P-C4'-P energy: -72.278 tors. eta vs tors. theta energy: -160.454 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: 1 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -1670.711226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.711226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.711226 (E_RNA) where: Base-Base interactions energy: -1166.732 where: short stacking energy: -465.981 Base-Backbone interact. energy: 0.105 local terms energy: -504.084303 where: bonds (distance) C4'-P energy: -89.861 bonds (distance) P-C4' energy: -88.195 flat angles C4'-P-C4' energy: -109.547 flat angles P-C4'-P energy: -66.989 tors. eta vs tors. theta energy: -149.493 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: 5, replica: 8 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1533.541835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.541835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.541835 (E_RNA) where: Base-Base interactions energy: -1054.781 where: short stacking energy: -421.756 Base-Backbone interact. energy: -0.562 local terms energy: -478.199412 where: bonds (distance) C4'-P energy: -99.545 bonds (distance) P-C4' energy: -79.883 flat angles C4'-P-C4' energy: -105.459 flat angles P-C4'-P energy: -59.728 tors. eta vs tors. theta energy: -133.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1451.790717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.790717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.790717 (E_RNA) where: Base-Base interactions energy: -1011.464 where: short stacking energy: -399.450 Base-Backbone interact. energy: 0.584 local terms energy: -440.910603 where: bonds (distance) C4'-P energy: -88.251 bonds (distance) P-C4' energy: -78.793 flat angles C4'-P-C4' energy: -91.098 flat angles P-C4'-P energy: -70.072 tors. eta vs tors. theta energy: -112.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1355.299562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.299562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.299562 (E_RNA) where: Base-Base interactions energy: -918.324 where: short stacking energy: -379.899 Base-Backbone interact. energy: -1.380 local terms energy: -435.595959 where: bonds (distance) C4'-P energy: -80.179 bonds (distance) P-C4' energy: -87.091 flat angles C4'-P-C4' energy: -91.930 flat angles P-C4'-P energy: -66.441 tors. eta vs tors. theta energy: -109.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1250.610341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.610341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.610341 (E_RNA) where: Base-Base interactions energy: -866.774 where: short stacking energy: -353.744 Base-Backbone interact. energy: 0.736 local terms energy: -384.571662 where: bonds (distance) C4'-P energy: -76.835 bonds (distance) P-C4' energy: -70.108 flat angles C4'-P-C4' energy: -83.996 flat angles P-C4'-P energy: -51.832 tors. eta vs tors. theta energy: -101.800 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: 10 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -1242.190980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.190980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.190980 (E_RNA) where: Base-Base interactions energy: -838.002 where: short stacking energy: -355.435 Base-Backbone interact. energy: 2.861 local terms energy: -407.049945 where: bonds (distance) C4'-P energy: -71.874 bonds (distance) P-C4' energy: -88.435 flat angles C4'-P-C4' energy: -93.475 flat angles P-C4'-P energy: -50.304 tors. eta vs tors. theta energy: -102.962 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: 350 Temperature: 1.350000 Total energy: -1004.099833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.099833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.099833 (E_RNA) where: Base-Base interactions energy: -652.748 where: short stacking energy: -280.204 Base-Backbone interact. energy: 0.477 local terms energy: -351.828798 where: bonds (distance) C4'-P energy: -81.036 bonds (distance) P-C4' energy: -85.054 flat angles C4'-P-C4' energy: -75.565 flat angles P-C4'-P energy: -47.944 tors. eta vs tors. theta energy: -62.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1919.337952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.337952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.337952 (E_RNA) where: Base-Base interactions energy: -1364.818 where: short stacking energy: -542.162 Base-Backbone interact. energy: -0.610 local terms energy: -553.910138 where: bonds (distance) C4'-P energy: -97.811 bonds (distance) P-C4' energy: -94.316 flat angles C4'-P-C4' energy: -110.753 flat angles P-C4'-P energy: -81.768 tors. eta vs tors. theta energy: -169.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1799.711884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.711884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.711884 (E_RNA) where: Base-Base interactions energy: -1266.255 where: short stacking energy: -503.239 Base-Backbone interact. energy: -0.698 local terms energy: -532.758537 where: bonds (distance) C4'-P energy: -95.225 bonds (distance) P-C4' energy: -94.835 flat angles C4'-P-C4' energy: -108.792 flat angles P-C4'-P energy: -75.489 tors. eta vs tors. theta energy: -158.418 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: 3 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1745.388419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.388419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.388419 (E_RNA) where: Base-Base interactions energy: -1209.965 where: short stacking energy: -489.811 Base-Backbone interact. energy: -0.811 local terms energy: -534.612249 where: bonds (distance) C4'-P energy: -92.470 bonds (distance) P-C4' energy: -93.791 flat angles C4'-P-C4' energy: -114.213 flat angles P-C4'-P energy: -73.989 tors. eta vs tors. theta energy: -160.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1681.224293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.224293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.224293 (E_RNA) where: Base-Base interactions energy: -1158.766 where: short stacking energy: -485.271 Base-Backbone interact. energy: -0.492 local terms energy: -521.966371 where: bonds (distance) C4'-P energy: -96.022 bonds (distance) P-C4' energy: -94.295 flat angles C4'-P-C4' energy: -114.065 flat angles P-C4'-P energy: -63.675 tors. eta vs tors. theta energy: -153.909 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: 8 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -1551.721328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.721328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.721328 (E_RNA) where: Base-Base interactions energy: -1083.777 where: short stacking energy: -447.529 Base-Backbone interact. energy: 0.203 local terms energy: -468.147769 where: bonds (distance) C4'-P energy: -84.240 bonds (distance) P-C4' energy: -82.877 flat angles C4'-P-C4' energy: -108.358 flat angles P-C4'-P energy: -61.268 tors. eta vs tors. theta energy: -131.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1449.893096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.893096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.893096 (E_RNA) where: Base-Base interactions energy: -997.395 where: short stacking energy: -417.383 Base-Backbone interact. energy: -0.562 local terms energy: -451.936004 where: bonds (distance) C4'-P energy: -93.348 bonds (distance) P-C4' energy: -74.960 flat angles C4'-P-C4' energy: -95.690 flat angles P-C4'-P energy: -66.626 tors. eta vs tors. theta energy: -121.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1370.680417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.680417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.680417 (E_RNA) where: Base-Base interactions energy: -930.739 where: short stacking energy: -386.469 Base-Backbone interact. energy: 2.927 local terms energy: -442.868968 where: bonds (distance) C4'-P energy: -90.998 bonds (distance) P-C4' energy: -90.124 flat angles C4'-P-C4' energy: -99.804 flat angles P-C4'-P energy: -58.163 tors. eta vs tors. theta energy: -103.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1276.147302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.147302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.147302 (E_RNA) where: Base-Base interactions energy: -851.885 where: short stacking energy: -346.990 Base-Backbone interact. energy: 1.195 local terms energy: -425.457378 where: bonds (distance) C4'-P energy: -76.843 bonds (distance) P-C4' energy: -82.670 flat angles C4'-P-C4' energy: -99.876 flat angles P-C4'-P energy: -65.041 tors. eta vs tors. theta energy: -101.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -1260.322487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.322487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.322487 (E_RNA) where: Base-Base interactions energy: -859.161 where: short stacking energy: -351.043 Base-Backbone interact. energy: 0.365 local terms energy: -401.526691 where: bonds (distance) C4'-P energy: -70.211 bonds (distance) P-C4' energy: -84.106 flat angles C4'-P-C4' energy: -88.164 flat angles P-C4'-P energy: -60.666 tors. eta vs tors. theta energy: -98.380 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: 10, replica: 7 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -996.694412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.694412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.694412 (E_RNA) where: Base-Base interactions energy: -639.868 where: short stacking energy: -279.940 Base-Backbone interact. energy: 1.386 local terms energy: -358.212661 where: bonds (distance) C4'-P energy: -77.877 bonds (distance) P-C4' energy: -77.595 flat angles C4'-P-C4' energy: -82.234 flat angles P-C4'-P energy: -48.857 tors. eta vs tors. theta energy: -71.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1930.894131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.894131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.894131 (E_RNA) where: Base-Base interactions energy: -1375.812 where: short stacking energy: -551.393 Base-Backbone interact. energy: -2.560 local terms energy: -552.522146 where: bonds (distance) C4'-P energy: -96.859 bonds (distance) P-C4' energy: -97.377 flat angles C4'-P-C4' energy: -114.289 flat angles P-C4'-P energy: -79.001 tors. eta vs tors. theta energy: -164.996 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: 9 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1812.295516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.295516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.295516 (E_RNA) where: Base-Base interactions energy: -1282.329 where: short stacking energy: -519.977 Base-Backbone interact. energy: -1.936 local terms energy: -528.030463 where: bonds (distance) C4'-P energy: -96.421 bonds (distance) P-C4' energy: -97.134 flat angles C4'-P-C4' energy: -107.966 flat angles P-C4'-P energy: -71.662 tors. eta vs tors. theta energy: -154.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -1710.764238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.764238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.764238 (E_RNA) where: Base-Base interactions energy: -1175.682 where: short stacking energy: -472.047 Base-Backbone interact. energy: -2.127 local terms energy: -532.955089 where: bonds (distance) C4'-P energy: -105.056 bonds (distance) P-C4' energy: -86.239 flat angles C4'-P-C4' energy: -110.822 flat angles P-C4'-P energy: -81.002 tors. eta vs tors. theta energy: -149.836 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: 352 Temperature: 1.050000 Total energy: -1722.140036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.140036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.140036 (E_RNA) where: Base-Base interactions energy: -1196.879 where: short stacking energy: -493.585 Base-Backbone interact. energy: -0.703 local terms energy: -524.558606 where: bonds (distance) C4'-P energy: -84.549 bonds (distance) P-C4' energy: -89.255 flat angles C4'-P-C4' energy: -106.688 flat angles P-C4'-P energy: -77.618 tors. eta vs tors. theta energy: -166.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1562.536380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.536380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.536380 (E_RNA) where: Base-Base interactions energy: -1117.456 where: short stacking energy: -453.300 Base-Backbone interact. energy: -0.782 local terms energy: -444.298246 where: bonds (distance) C4'-P energy: -64.963 bonds (distance) P-C4' energy: -77.809 flat angles C4'-P-C4' energy: -96.148 flat angles P-C4'-P energy: -68.903 tors. eta vs tors. theta energy: -136.475 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: 5 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1484.676646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.676646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.676646 (E_RNA) where: Base-Base interactions energy: -1029.364 where: short stacking energy: -415.086 Base-Backbone interact. energy: -0.512 local terms energy: -454.800657 where: bonds (distance) C4'-P energy: -87.662 bonds (distance) P-C4' energy: -85.576 flat angles C4'-P-C4' energy: -93.176 flat angles P-C4'-P energy: -68.898 tors. eta vs tors. theta energy: -119.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1358.469250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.469250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.469250 (E_RNA) where: Base-Base interactions energy: -929.259 where: short stacking energy: -387.099 Base-Backbone interact. energy: -2.789 local terms energy: -426.421249 where: bonds (distance) C4'-P energy: -81.544 bonds (distance) P-C4' energy: -88.878 flat angles C4'-P-C4' energy: -91.069 flat angles P-C4'-P energy: -60.601 tors. eta vs tors. theta energy: -104.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1252.497060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.497060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.497060 (E_RNA) where: Base-Base interactions energy: -866.877 where: short stacking energy: -350.258 Base-Backbone interact. energy: -0.203 local terms energy: -385.417563 where: bonds (distance) C4'-P energy: -78.640 bonds (distance) P-C4' energy: -79.734 flat angles C4'-P-C4' energy: -92.879 flat angles P-C4'-P energy: -47.566 tors. eta vs tors. theta energy: -86.598 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: 6 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -1246.616029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.616029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.616029 (E_RNA) where: Base-Base interactions energy: -854.581 where: short stacking energy: -358.590 Base-Backbone interact. energy: -0.433 local terms energy: -391.602214 where: bonds (distance) C4'-P energy: -59.404 bonds (distance) P-C4' energy: -72.389 flat angles C4'-P-C4' energy: -103.222 flat angles P-C4'-P energy: -55.454 tors. eta vs tors. theta energy: -101.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -1009.759823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.759823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.759823 (E_RNA) where: Base-Base interactions energy: -681.838 where: short stacking energy: -304.565 Base-Backbone interact. energy: -2.130 local terms energy: -325.792632 where: bonds (distance) C4'-P energy: -77.438 bonds (distance) P-C4' energy: -80.035 flat angles C4'-P-C4' energy: -63.447 flat angles P-C4'-P energy: -43.086 tors. eta vs tors. theta energy: -61.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1908.250830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.250830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.250830 (E_RNA) where: Base-Base interactions energy: -1363.138 where: short stacking energy: -543.198 Base-Backbone interact. energy: 1.344 local terms energy: -546.457215 where: bonds (distance) C4'-P energy: -97.880 bonds (distance) P-C4' energy: -104.550 flat angles C4'-P-C4' energy: -104.840 flat angles P-C4'-P energy: -73.725 tors. eta vs tors. theta energy: -165.461 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: 9 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1824.288528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.288528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.288528 (E_RNA) where: Base-Base interactions energy: -1295.127 where: short stacking energy: -509.433 Base-Backbone interact. energy: -0.193 local terms energy: -528.968715 where: bonds (distance) C4'-P energy: -94.060 bonds (distance) P-C4' energy: -95.341 flat angles C4'-P-C4' energy: -106.108 flat angles P-C4'-P energy: -75.664 tors. eta vs tors. theta energy: -157.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1709.834669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.834669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.834669 (E_RNA) where: Base-Base interactions energy: -1191.355 where: short stacking energy: -489.687 Base-Backbone interact. energy: 2.396 local terms energy: -520.875662 where: bonds (distance) C4'-P energy: -88.884 bonds (distance) P-C4' energy: -95.327 flat angles C4'-P-C4' energy: -115.255 flat angles P-C4'-P energy: -68.648 tors. eta vs tors. theta energy: -152.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -1745.001988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.001988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.001988 (E_RNA) where: Base-Base interactions energy: -1231.493 where: short stacking energy: -487.338 Base-Backbone interact. energy: -2.608 local terms energy: -510.901046 where: bonds (distance) C4'-P energy: -86.298 bonds (distance) P-C4' energy: -85.704 flat angles C4'-P-C4' energy: -101.668 flat angles P-C4'-P energy: -80.175 tors. eta vs tors. theta energy: -157.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1575.717378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.717378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.717378 (E_RNA) where: Base-Base interactions energy: -1092.694 where: short stacking energy: -455.131 Base-Backbone interact. energy: 1.148 local terms energy: -484.170758 where: bonds (distance) C4'-P energy: -75.216 bonds (distance) P-C4' energy: -90.441 flat angles C4'-P-C4' energy: -99.967 flat angles P-C4'-P energy: -81.587 tors. eta vs tors. theta energy: -136.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -1469.347448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.347448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.347448 (E_RNA) where: Base-Base interactions energy: -1019.677 where: short stacking energy: -401.078 Base-Backbone interact. energy: -2.759 local terms energy: -446.910919 where: bonds (distance) C4'-P energy: -84.319 bonds (distance) P-C4' energy: -81.597 flat angles C4'-P-C4' energy: -89.915 flat angles P-C4'-P energy: -72.083 tors. eta vs tors. theta energy: -118.996 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: 2 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1369.055148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.055148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.055148 (E_RNA) where: Base-Base interactions energy: -938.088 where: short stacking energy: -390.573 Base-Backbone interact. energy: -1.998 local terms energy: -428.968750 where: bonds (distance) C4'-P energy: -75.699 bonds (distance) P-C4' energy: -87.641 flat angles C4'-P-C4' energy: -94.989 flat angles P-C4'-P energy: -64.187 tors. eta vs tors. theta energy: -106.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1322.696190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.696190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.696190 (E_RNA) where: Base-Base interactions energy: -904.957 where: short stacking energy: -369.290 Base-Backbone interact. energy: -0.339 local terms energy: -417.401004 where: bonds (distance) C4'-P energy: -89.371 bonds (distance) P-C4' energy: -86.684 flat angles C4'-P-C4' energy: -75.232 flat angles P-C4'-P energy: -64.124 tors. eta vs tors. theta energy: -101.990 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: 6 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -1266.688185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.688185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.688185 (E_RNA) where: Base-Base interactions energy: -865.433 where: short stacking energy: -374.639 Base-Backbone interact. energy: -0.656 local terms energy: -400.599366 where: bonds (distance) C4'-P energy: -72.907 bonds (distance) P-C4' energy: -91.838 flat angles C4'-P-C4' energy: -87.910 flat angles P-C4'-P energy: -48.769 tors. eta vs tors. theta energy: -99.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -1007.926961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.926961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.926961 (E_RNA) where: Base-Base interactions energy: -665.905 where: short stacking energy: -286.367 Base-Backbone interact. energy: 1.964 local terms energy: -343.986533 where: bonds (distance) C4'-P energy: -78.691 bonds (distance) P-C4' energy: -81.354 flat angles C4'-P-C4' energy: -76.920 flat angles P-C4'-P energy: -43.803 tors. eta vs tors. theta energy: -63.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1857.977589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.977589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.977589 (E_RNA) where: Base-Base interactions energy: -1296.444 where: short stacking energy: -500.901 Base-Backbone interact. energy: 0.384 local terms energy: -561.918224 where: bonds (distance) C4'-P energy: -99.719 bonds (distance) P-C4' energy: -102.031 flat angles C4'-P-C4' energy: -119.439 flat angles P-C4'-P energy: -84.927 tors. eta vs tors. theta energy: -155.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1867.456769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.456769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.456769 (E_RNA) where: Base-Base interactions energy: -1342.808 where: short stacking energy: -535.939 Base-Backbone interact. energy: 0.480 local terms energy: -525.128814 where: bonds (distance) C4'-P energy: -81.413 bonds (distance) P-C4' energy: -100.159 flat angles C4'-P-C4' energy: -112.236 flat angles P-C4'-P energy: -71.328 tors. eta vs tors. theta energy: -159.994 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: 3 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1768.716383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.716383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.716383 (E_RNA) where: Base-Base interactions energy: -1251.579 where: short stacking energy: -507.958 Base-Backbone interact. energy: -1.450 local terms energy: -515.686946 where: bonds (distance) C4'-P energy: -86.833 bonds (distance) P-C4' energy: -89.136 flat angles C4'-P-C4' energy: -112.013 flat angles P-C4'-P energy: -66.247 tors. eta vs tors. theta energy: -161.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -1667.749699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.749699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.749699 (E_RNA) where: Base-Base interactions energy: -1188.773 where: short stacking energy: -485.278 Base-Backbone interact. energy: -0.790 local terms energy: -478.186194 where: bonds (distance) C4'-P energy: -80.264 bonds (distance) P-C4' energy: -81.994 flat angles C4'-P-C4' energy: -101.203 flat angles P-C4'-P energy: -63.499 tors. eta vs tors. theta energy: -151.226 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: 8 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -1558.216776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.216776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.216776 (E_RNA) where: Base-Base interactions energy: -1084.253 where: short stacking energy: -449.059 Base-Backbone interact. energy: -1.544 local terms energy: -472.419808 where: bonds (distance) C4'-P energy: -85.116 bonds (distance) P-C4' energy: -90.619 flat angles C4'-P-C4' energy: -94.236 flat angles P-C4'-P energy: -70.184 tors. eta vs tors. theta energy: -132.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1455.944517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.944517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.944517 (E_RNA) where: Base-Base interactions energy: -1013.330 where: short stacking energy: -413.269 Base-Backbone interact. energy: -1.295 local terms energy: -441.319719 where: bonds (distance) C4'-P energy: -86.191 bonds (distance) P-C4' energy: -79.506 flat angles C4'-P-C4' energy: -89.988 flat angles P-C4'-P energy: -64.062 tors. eta vs tors. theta energy: -121.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1370.010329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.010329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.010329 (E_RNA) where: Base-Base interactions energy: -931.264 where: short stacking energy: -367.454 Base-Backbone interact. energy: -0.873 local terms energy: -437.872860 where: bonds (distance) C4'-P energy: -85.963 bonds (distance) P-C4' energy: -86.620 flat angles C4'-P-C4' energy: -84.766 flat angles P-C4'-P energy: -71.573 tors. eta vs tors. theta energy: -108.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1302.431279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.431279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.431279 (E_RNA) where: Base-Base interactions energy: -881.165 where: short stacking energy: -380.164 Base-Backbone interact. energy: -0.604 local terms energy: -420.661983 where: bonds (distance) C4'-P energy: -87.412 bonds (distance) P-C4' energy: -82.581 flat angles C4'-P-C4' energy: -83.460 flat angles P-C4'-P energy: -52.767 tors. eta vs tors. theta energy: -114.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -1242.218653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.218653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.218653 (E_RNA) where: Base-Base interactions energy: -858.163 where: short stacking energy: -366.355 Base-Backbone interact. energy: -1.321 local terms energy: -382.733712 where: bonds (distance) C4'-P energy: -56.499 bonds (distance) P-C4' energy: -80.454 flat angles C4'-P-C4' energy: -96.734 flat angles P-C4'-P energy: -56.849 tors. eta vs tors. theta energy: -92.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -1037.455333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.455333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.455333 (E_RNA) where: Base-Base interactions energy: -704.345 where: short stacking energy: -292.647 Base-Backbone interact. energy: -0.514 local terms energy: -332.596245 where: bonds (distance) C4'-P energy: -61.205 bonds (distance) P-C4' energy: -76.132 flat angles C4'-P-C4' energy: -66.999 flat angles P-C4'-P energy: -60.158 tors. eta vs tors. theta energy: -68.102 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: 1, replica: 9 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1838.262728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.262728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.262728 (E_RNA) where: Base-Base interactions energy: -1300.494 where: short stacking energy: -523.449 Base-Backbone interact. energy: -1.445 local terms energy: -536.324691 where: bonds (distance) C4'-P energy: -99.512 bonds (distance) P-C4' energy: -98.233 flat angles C4'-P-C4' energy: -116.274 flat angles P-C4'-P energy: -73.529 tors. eta vs tors. theta energy: -148.777 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: 2, replica: 4 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -1896.606194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.606194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.606194 (E_RNA) where: Base-Base interactions energy: -1357.587 where: short stacking energy: -542.849 Base-Backbone interact. energy: -1.873 local terms energy: -537.145998 where: bonds (distance) C4'-P energy: -89.434 bonds (distance) P-C4' energy: -87.802 flat angles C4'-P-C4' energy: -111.680 flat angles P-C4'-P energy: -82.509 tors. eta vs tors. theta energy: -165.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1756.983793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.983793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.983793 (E_RNA) where: Base-Base interactions energy: -1230.801 where: short stacking energy: -501.034 Base-Backbone interact. energy: 0.975 local terms energy: -527.158302 where: bonds (distance) C4'-P energy: -87.363 bonds (distance) P-C4' energy: -99.106 flat angles C4'-P-C4' energy: -108.309 flat angles P-C4'-P energy: -68.631 tors. eta vs tors. theta energy: -163.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1663.083402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.083402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.083402 (E_RNA) where: Base-Base interactions energy: -1149.927 where: short stacking energy: -464.078 Base-Backbone interact. energy: 0.509 local terms energy: -513.665931 where: bonds (distance) C4'-P energy: -97.843 bonds (distance) P-C4' energy: -95.783 flat angles C4'-P-C4' energy: -104.985 flat angles P-C4'-P energy: -66.392 tors. eta vs tors. theta energy: -148.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -1571.051859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.051859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.051859 (E_RNA) where: Base-Base interactions energy: -1105.236 where: short stacking energy: -459.459 Base-Backbone interact. energy: 0.693 local terms energy: -466.508523 where: bonds (distance) C4'-P energy: -84.203 bonds (distance) P-C4' energy: -83.693 flat angles C4'-P-C4' energy: -95.987 flat angles P-C4'-P energy: -57.754 tors. eta vs tors. theta energy: -144.872 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: 5 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1471.375364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.375364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.375364 (E_RNA) where: Base-Base interactions energy: -1036.082 where: short stacking energy: -419.361 Base-Backbone interact. energy: -2.124 local terms energy: -433.169372 where: bonds (distance) C4'-P energy: -75.429 bonds (distance) P-C4' energy: -82.332 flat angles C4'-P-C4' energy: -83.934 flat angles P-C4'-P energy: -74.644 tors. eta vs tors. theta energy: -116.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1413.235129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.235129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.235129 (E_RNA) where: Base-Base interactions energy: -974.545 where: short stacking energy: -391.112 Base-Backbone interact. energy: -1.076 local terms energy: -437.613973 where: bonds (distance) C4'-P energy: -93.647 bonds (distance) P-C4' energy: -75.070 flat angles C4'-P-C4' energy: -99.148 flat angles P-C4'-P energy: -60.926 tors. eta vs tors. theta energy: -108.823 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: 6 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1285.609467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.609467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.609467 (E_RNA) where: Base-Base interactions energy: -850.141 where: short stacking energy: -357.374 Base-Backbone interact. energy: 1.495 local terms energy: -436.963512 where: bonds (distance) C4'-P energy: -90.240 bonds (distance) P-C4' energy: -90.306 flat angles C4'-P-C4' energy: -95.168 flat angles P-C4'-P energy: -59.296 tors. eta vs tors. theta energy: -101.954 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: 9, replica: 2 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -1279.459528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.459528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.459528 (E_RNA) where: Base-Base interactions energy: -898.353 where: short stacking energy: -372.913 Base-Backbone interact. energy: 2.171 local terms energy: -383.278277 where: bonds (distance) C4'-P energy: -71.115 bonds (distance) P-C4' energy: -67.884 flat angles C4'-P-C4' energy: -98.137 flat angles P-C4'-P energy: -47.433 tors. eta vs tors. theta energy: -98.710 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: 10, replica: 7 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -1041.263591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.263591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.263591 (E_RNA) where: Base-Base interactions energy: -689.694 where: short stacking energy: -303.908 Base-Backbone interact. energy: -1.854 local terms energy: -349.716053 where: bonds (distance) C4'-P energy: -62.439 bonds (distance) P-C4' energy: -83.954 flat angles C4'-P-C4' energy: -85.453 flat angles P-C4'-P energy: -41.588 tors. eta vs tors. theta energy: -76.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1911.138347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.138347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.138347 (E_RNA) where: Base-Base interactions energy: -1368.448 where: short stacking energy: -535.245 Base-Backbone interact. energy: -2.199 local terms energy: -540.490648 where: bonds (distance) C4'-P energy: -104.245 bonds (distance) P-C4' energy: -95.068 flat angles C4'-P-C4' energy: -105.150 flat angles P-C4'-P energy: -68.031 tors. eta vs tors. theta energy: -167.997 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: 2, replica: 9 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1814.384288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.384288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.384288 (E_RNA) where: Base-Base interactions energy: -1280.726 where: short stacking energy: -502.634 Base-Backbone interact. energy: 1.278 local terms energy: -534.936214 where: bonds (distance) C4'-P energy: -93.723 bonds (distance) P-C4' energy: -100.949 flat angles C4'-P-C4' energy: -105.084 flat angles P-C4'-P energy: -81.493 tors. eta vs tors. theta energy: -153.687 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: 3 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1771.623863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.623863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.623863 (E_RNA) where: Base-Base interactions energy: -1233.108 where: short stacking energy: -489.742 Base-Backbone interact. energy: -2.555 local terms energy: -535.960940 where: bonds (distance) C4'-P energy: -83.484 bonds (distance) P-C4' energy: -92.697 flat angles C4'-P-C4' energy: -115.565 flat angles P-C4'-P energy: -83.602 tors. eta vs tors. theta energy: -160.613 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: 1 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1691.786803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.786803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.786803 (E_RNA) where: Base-Base interactions energy: -1190.663 where: short stacking energy: -504.975 Base-Backbone interact. energy: -2.235 local terms energy: -498.889021 where: bonds (distance) C4'-P energy: -85.851 bonds (distance) P-C4' energy: -86.223 flat angles C4'-P-C4' energy: -100.993 flat angles P-C4'-P energy: -76.342 tors. eta vs tors. theta energy: -149.479 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: 5, replica: 8 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -1561.282995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.282995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.282995 (E_RNA) where: Base-Base interactions energy: -1093.732 where: short stacking energy: -453.560 Base-Backbone interact. energy: -0.656 local terms energy: -466.895209 where: bonds (distance) C4'-P energy: -67.151 bonds (distance) P-C4' energy: -93.004 flat angles C4'-P-C4' energy: -105.449 flat angles P-C4'-P energy: -67.874 tors. eta vs tors. theta energy: -133.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -1437.449648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.449648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.449648 (E_RNA) where: Base-Base interactions energy: -1014.496 where: short stacking energy: -409.118 Base-Backbone interact. energy: 0.816 local terms energy: -423.769918 where: bonds (distance) C4'-P energy: -79.094 bonds (distance) P-C4' energy: -87.829 flat angles C4'-P-C4' energy: -89.058 flat angles P-C4'-P energy: -48.602 tors. eta vs tors. theta energy: -119.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1376.674022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.674022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.674022 (E_RNA) where: Base-Base interactions energy: -972.084 where: short stacking energy: -395.285 Base-Backbone interact. energy: -2.184 local terms energy: -402.406057 where: bonds (distance) C4'-P energy: -72.890 bonds (distance) P-C4' energy: -69.057 flat angles C4'-P-C4' energy: -91.929 flat angles P-C4'-P energy: -56.692 tors. eta vs tors. theta energy: -111.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1255.819720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.819720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.819720 (E_RNA) where: Base-Base interactions energy: -854.167 where: short stacking energy: -343.319 Base-Backbone interact. energy: 0.913 local terms energy: -402.565262 where: bonds (distance) C4'-P energy: -67.132 bonds (distance) P-C4' energy: -81.316 flat angles C4'-P-C4' energy: -86.123 flat angles P-C4'-P energy: -64.703 tors. eta vs tors. theta energy: -103.292 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: 2 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -1263.050020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.050020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.050020 (E_RNA) where: Base-Base interactions energy: -861.683 where: short stacking energy: -353.422 Base-Backbone interact. energy: 1.372 local terms energy: -402.738858 where: bonds (distance) C4'-P energy: -78.384 bonds (distance) P-C4' energy: -73.716 flat angles C4'-P-C4' energy: -92.018 flat angles P-C4'-P energy: -54.544 tors. eta vs tors. theta energy: -104.076 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: 356 Temperature: 1.350000 Total energy: -1026.304834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.304834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.304834 (E_RNA) where: Base-Base interactions energy: -678.497 where: short stacking energy: -284.290 Base-Backbone interact. energy: -0.361 local terms energy: -347.446442 where: bonds (distance) C4'-P energy: -83.385 bonds (distance) P-C4' energy: -78.563 flat angles C4'-P-C4' energy: -77.841 flat angles P-C4'-P energy: -42.527 tors. eta vs tors. theta energy: -65.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1917.295075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.295075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.295075 (E_RNA) where: Base-Base interactions energy: -1350.842 where: short stacking energy: -530.137 Base-Backbone interact. energy: -1.588 local terms energy: -564.865703 where: bonds (distance) C4'-P energy: -100.868 bonds (distance) P-C4' energy: -97.616 flat angles C4'-P-C4' energy: -119.232 flat angles P-C4'-P energy: -86.809 tors. eta vs tors. theta energy: -160.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1812.297007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.297007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.297007 (E_RNA) where: Base-Base interactions energy: -1267.024 where: short stacking energy: -533.355 Base-Backbone interact. energy: -2.171 local terms energy: -543.101917 where: bonds (distance) C4'-P energy: -83.410 bonds (distance) P-C4' energy: -96.721 flat angles C4'-P-C4' energy: -108.098 flat angles P-C4'-P energy: -85.347 tors. eta vs tors. theta energy: -169.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -1765.403271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.403271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.403271 (E_RNA) where: Base-Base interactions energy: -1254.114 where: short stacking energy: -494.102 Base-Backbone interact. energy: -1.166 local terms energy: -510.123453 where: bonds (distance) C4'-P energy: -88.279 bonds (distance) P-C4' energy: -96.769 flat angles C4'-P-C4' energy: -108.499 flat angles P-C4'-P energy: -66.870 tors. eta vs tors. theta energy: -149.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1689.923386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.923386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.923386 (E_RNA) where: Base-Base interactions energy: -1189.493 where: short stacking energy: -484.177 Base-Backbone interact. energy: -0.816 local terms energy: -499.613869 where: bonds (distance) C4'-P energy: -72.545 bonds (distance) P-C4' energy: -89.697 flat angles C4'-P-C4' energy: -117.113 flat angles P-C4'-P energy: -64.649 tors. eta vs tors. theta energy: -155.609 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: 8 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1565.446770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.446770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.446770 (E_RNA) where: Base-Base interactions energy: -1091.834 where: short stacking energy: -447.111 Base-Backbone interact. energy: 0.315 local terms energy: -473.928034 where: bonds (distance) C4'-P energy: -80.559 bonds (distance) P-C4' energy: -96.728 flat angles C4'-P-C4' energy: -111.730 flat angles P-C4'-P energy: -57.293 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: 6, replica: 5 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1507.092285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.092285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.092285 (E_RNA) where: Base-Base interactions energy: -1052.970 where: short stacking energy: -417.295 Base-Backbone interact. energy: 1.958 local terms energy: -456.080054 where: bonds (distance) C4'-P energy: -83.259 bonds (distance) P-C4' energy: -87.651 flat angles C4'-P-C4' energy: -109.980 flat angles P-C4'-P energy: -67.842 tors. eta vs tors. theta energy: -107.349 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: 7, replica: 10 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1436.930042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.930042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.930042 (E_RNA) where: Base-Base interactions energy: -999.147 where: short stacking energy: -396.708 Base-Backbone interact. energy: -0.856 local terms energy: -436.927274 where: bonds (distance) C4'-P energy: -77.626 bonds (distance) P-C4' energy: -86.461 flat angles C4'-P-C4' energy: -93.691 flat angles P-C4'-P energy: -70.900 tors. eta vs tors. theta energy: -108.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1281.866369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.866369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.866369 (E_RNA) where: Base-Base interactions energy: -877.218 where: short stacking energy: -370.449 Base-Backbone interact. energy: -1.032 local terms energy: -403.616189 where: bonds (distance) C4'-P energy: -71.897 bonds (distance) P-C4' energy: -90.104 flat angles C4'-P-C4' energy: -96.449 flat angles P-C4'-P energy: -54.177 tors. eta vs tors. theta energy: -90.990 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: 6 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -1243.897092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.897092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.897092 (E_RNA) where: Base-Base interactions energy: -824.971 where: short stacking energy: -330.263 Base-Backbone interact. energy: -0.898 local terms energy: -418.027596 where: bonds (distance) C4'-P energy: -83.548 bonds (distance) P-C4' energy: -84.887 flat angles C4'-P-C4' energy: -89.241 flat angles P-C4'-P energy: -63.372 tors. eta vs tors. theta energy: -96.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -966.780658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.780658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.780658 (E_RNA) where: Base-Base interactions energy: -630.441 where: short stacking energy: -270.420 Base-Backbone interact. energy: -0.237 local terms energy: -336.102510 where: bonds (distance) C4'-P energy: -77.939 bonds (distance) P-C4' energy: -73.458 flat angles C4'-P-C4' energy: -88.430 flat angles P-C4'-P energy: -52.355 tors. eta vs tors. theta energy: -43.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1928.228842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.228842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.228842 (E_RNA) where: Base-Base interactions energy: -1365.455 where: short stacking energy: -537.597 Base-Backbone interact. energy: -1.976 local terms energy: -560.797659 where: bonds (distance) C4'-P energy: -105.175 bonds (distance) P-C4' energy: -97.679 flat angles C4'-P-C4' energy: -113.376 flat angles P-C4'-P energy: -77.937 tors. eta vs tors. theta energy: -166.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1828.249370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.249370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.249370 (E_RNA) where: Base-Base interactions energy: -1283.307 where: short stacking energy: -537.761 Base-Backbone interact. energy: 3.102 local terms energy: -548.043944 where: bonds (distance) C4'-P energy: -92.803 bonds (distance) P-C4' energy: -91.737 flat angles C4'-P-C4' energy: -112.570 flat angles P-C4'-P energy: -84.038 tors. eta vs tors. theta energy: -166.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1779.419131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.419131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.419131 (E_RNA) where: Base-Base interactions energy: -1277.670 where: short stacking energy: -501.347 Base-Backbone interact. energy: -0.893 local terms energy: -500.856641 where: bonds (distance) C4'-P energy: -85.120 bonds (distance) P-C4' energy: -86.828 flat angles C4'-P-C4' energy: -103.437 flat angles P-C4'-P energy: -77.776 tors. eta vs tors. theta energy: -147.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1668.007319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.007319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.007319 (E_RNA) where: Base-Base interactions energy: -1170.883 where: short stacking energy: -470.175 Base-Backbone interact. energy: -1.475 local terms energy: -495.648760 where: bonds (distance) C4'-P energy: -85.195 bonds (distance) P-C4' energy: -89.395 flat angles C4'-P-C4' energy: -93.193 flat angles P-C4'-P energy: -77.979 tors. eta vs tors. theta energy: -149.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -1583.279606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.279606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.279606 (E_RNA) where: Base-Base interactions energy: -1118.009 where: short stacking energy: -454.260 Base-Backbone interact. energy: -0.772 local terms energy: -464.499476 where: bonds (distance) C4'-P energy: -89.185 bonds (distance) P-C4' energy: -80.329 flat angles C4'-P-C4' energy: -88.352 flat angles P-C4'-P energy: -73.900 tors. eta vs tors. theta energy: -132.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1473.386323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.386323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.386323 (E_RNA) where: Base-Base interactions energy: -996.307 where: short stacking energy: -408.513 Base-Backbone interact. energy: -2.025 local terms energy: -475.054150 where: bonds (distance) C4'-P energy: -96.589 bonds (distance) P-C4' energy: -91.168 flat angles C4'-P-C4' energy: -95.597 flat angles P-C4'-P energy: -68.335 tors. eta vs tors. theta energy: -123.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1394.323664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.323664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.323664 (E_RNA) where: Base-Base interactions energy: -956.635 where: short stacking energy: -381.302 Base-Backbone interact. energy: -2.394 local terms energy: -435.294904 where: bonds (distance) C4'-P energy: -80.242 bonds (distance) P-C4' energy: -87.429 flat angles C4'-P-C4' energy: -97.237 flat angles P-C4'-P energy: -57.579 tors. eta vs tors. theta energy: -112.807 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: 2 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1272.951708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.951708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.951708 (E_RNA) where: Base-Base interactions energy: -867.760 where: short stacking energy: -366.328 Base-Backbone interact. energy: -0.566 local terms energy: -404.625516 where: bonds (distance) C4'-P energy: -72.019 bonds (distance) P-C4' energy: -84.150 flat angles C4'-P-C4' energy: -91.873 flat angles P-C4'-P energy: -57.088 tors. eta vs tors. theta energy: -99.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -1256.543515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.543515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.543515 (E_RNA) where: Base-Base interactions energy: -848.403 where: short stacking energy: -337.855 Base-Backbone interact. energy: 0.480 local terms energy: -408.620180 where: bonds (distance) C4'-P energy: -74.619 bonds (distance) P-C4' energy: -86.754 flat angles C4'-P-C4' energy: -97.526 flat angles P-C4'-P energy: -56.612 tors. eta vs tors. theta energy: -93.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -1016.956092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.956092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.956092 (E_RNA) where: Base-Base interactions energy: -684.236 where: short stacking energy: -289.972 Base-Backbone interact. energy: 0.806 local terms energy: -333.526126 where: bonds (distance) C4'-P energy: -83.785 bonds (distance) P-C4' energy: -71.308 flat angles C4'-P-C4' energy: -77.034 flat angles P-C4'-P energy: -51.871 tors. eta vs tors. theta energy: -49.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1906.842520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.842520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.842520 (E_RNA) where: Base-Base interactions energy: -1342.430 where: short stacking energy: -529.649 Base-Backbone interact. energy: -0.250 local terms energy: -564.163400 where: bonds (distance) C4'-P energy: -98.143 bonds (distance) P-C4' energy: -104.854 flat angles C4'-P-C4' energy: -115.268 flat angles P-C4'-P energy: -77.719 tors. eta vs tors. theta energy: -168.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1817.729936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.729936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.729936 (E_RNA) where: Base-Base interactions energy: -1268.909 where: short stacking energy: -534.466 Base-Backbone interact. energy: -3.169 local terms energy: -545.652007 where: bonds (distance) C4'-P energy: -88.953 bonds (distance) P-C4' energy: -94.900 flat angles C4'-P-C4' energy: -113.744 flat angles P-C4'-P energy: -84.013 tors. eta vs tors. theta energy: -164.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1792.093097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.093097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.093097 (E_RNA) where: Base-Base interactions energy: -1270.147 where: short stacking energy: -490.591 Base-Backbone interact. energy: -0.360 local terms energy: -521.586521 where: bonds (distance) C4'-P energy: -88.706 bonds (distance) P-C4' energy: -97.837 flat angles C4'-P-C4' energy: -109.005 flat angles P-C4'-P energy: -77.964 tors. eta vs tors. theta energy: -148.074 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: 4, replica: 1 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1682.006330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.006330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.006330 (E_RNA) where: Base-Base interactions energy: -1184.647 where: short stacking energy: -488.573 Base-Backbone interact. energy: 3.001 local terms energy: -500.360468 where: bonds (distance) C4'-P energy: -77.761 bonds (distance) P-C4' energy: -85.419 flat angles C4'-P-C4' energy: -108.298 flat angles P-C4'-P energy: -77.659 tors. eta vs tors. theta energy: -151.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1576.151647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.151647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.151647 (E_RNA) where: Base-Base interactions energy: -1098.169 where: short stacking energy: -458.641 Base-Backbone interact. energy: -1.192 local terms energy: -476.790520 where: bonds (distance) C4'-P energy: -95.124 bonds (distance) P-C4' energy: -90.270 flat angles C4'-P-C4' energy: -94.698 flat angles P-C4'-P energy: -64.478 tors. eta vs tors. theta energy: -132.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1428.089752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.089752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.089752 (E_RNA) where: Base-Base interactions energy: -973.505 where: short stacking energy: -400.867 Base-Backbone interact. energy: -2.607 local terms energy: -451.977211 where: bonds (distance) C4'-P energy: -82.620 bonds (distance) P-C4' energy: -96.619 flat angles C4'-P-C4' energy: -98.634 flat angles P-C4'-P energy: -67.806 tors. eta vs tors. theta energy: -106.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1384.615240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.615240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.615240 (E_RNA) where: Base-Base interactions energy: -953.052 where: short stacking energy: -383.009 Base-Backbone interact. energy: -1.540 local terms energy: -430.023289 where: bonds (distance) C4'-P energy: -91.431 bonds (distance) P-C4' energy: -73.694 flat angles C4'-P-C4' energy: -93.432 flat angles P-C4'-P energy: -70.469 tors. eta vs tors. theta energy: -100.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1310.466279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.466279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.466279 (E_RNA) where: Base-Base interactions energy: -894.711 where: short stacking energy: -382.163 Base-Backbone interact. energy: -1.569 local terms energy: -414.185912 where: bonds (distance) C4'-P energy: -71.159 bonds (distance) P-C4' energy: -81.364 flat angles C4'-P-C4' energy: -90.912 flat angles P-C4'-P energy: -63.832 tors. eta vs tors. theta energy: -106.919 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: 6 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -1228.130844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.130844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.130844 (E_RNA) where: Base-Base interactions energy: -812.772 where: short stacking energy: -323.059 Base-Backbone interact. energy: -0.670 local terms energy: -414.688578 where: bonds (distance) C4'-P energy: -83.058 bonds (distance) P-C4' energy: -76.646 flat angles C4'-P-C4' energy: -99.045 flat angles P-C4'-P energy: -56.587 tors. eta vs tors. theta energy: -99.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -1048.949013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.949013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.949013 (E_RNA) where: Base-Base interactions energy: -675.296 where: short stacking energy: -297.257 Base-Backbone interact. energy: 0.231 local terms energy: -373.883827 where: bonds (distance) C4'-P energy: -80.365 bonds (distance) P-C4' energy: -79.742 flat angles C4'-P-C4' energy: -76.093 flat angles P-C4'-P energy: -61.771 tors. eta vs tors. theta energy: -75.913 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: 1, replica: 4 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1922.382722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.382722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.382722 (E_RNA) where: Base-Base interactions energy: -1369.202 where: short stacking energy: -537.577 Base-Backbone interact. energy: -1.190 local terms energy: -551.990709 where: bonds (distance) C4'-P energy: -106.852 bonds (distance) P-C4' energy: -93.407 flat angles C4'-P-C4' energy: -109.411 flat angles P-C4'-P energy: -75.407 tors. eta vs tors. theta energy: -166.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1802.887145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.887145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.887145 (E_RNA) where: Base-Base interactions energy: -1261.107 where: short stacking energy: -534.228 Base-Backbone interact. energy: -1.584 local terms energy: -540.196306 where: bonds (distance) C4'-P energy: -87.465 bonds (distance) P-C4' energy: -95.663 flat angles C4'-P-C4' energy: -113.321 flat angles P-C4'-P energy: -77.231 tors. eta vs tors. theta energy: -166.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1765.284618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.284618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.284618 (E_RNA) where: Base-Base interactions energy: -1271.768 where: short stacking energy: -492.500 Base-Backbone interact. energy: -1.468 local terms energy: -492.048985 where: bonds (distance) C4'-P energy: -90.943 bonds (distance) P-C4' energy: -89.796 flat angles C4'-P-C4' energy: -97.588 flat angles P-C4'-P energy: -69.770 tors. eta vs tors. theta energy: -143.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1673.749869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.749869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.749869 (E_RNA) where: Base-Base interactions energy: -1150.406 where: short stacking energy: -474.190 Base-Backbone interact. energy: 0.067 local terms energy: -523.411456 where: bonds (distance) C4'-P energy: -80.398 bonds (distance) P-C4' energy: -100.254 flat angles C4'-P-C4' energy: -116.565 flat angles P-C4'-P energy: -70.663 tors. eta vs tors. theta energy: -155.532 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: 5, replica: 8 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -1601.903076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.903076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.903076 (E_RNA) where: Base-Base interactions energy: -1107.339 where: short stacking energy: -448.465 Base-Backbone interact. energy: -0.827 local terms energy: -493.737032 where: bonds (distance) C4'-P energy: -97.559 bonds (distance) P-C4' energy: -99.868 flat angles C4'-P-C4' energy: -99.130 flat angles P-C4'-P energy: -61.231 tors. eta vs tors. theta energy: -135.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1456.670774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.670774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.670774 (E_RNA) where: Base-Base interactions energy: -1006.080 where: short stacking energy: -407.219 Base-Backbone interact. energy: -1.545 local terms energy: -449.045901 where: bonds (distance) C4'-P energy: -93.848 bonds (distance) P-C4' energy: -75.815 flat angles C4'-P-C4' energy: -96.816 flat angles P-C4'-P energy: -70.765 tors. eta vs tors. theta energy: -111.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1434.469865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.469865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.469865 (E_RNA) where: Base-Base interactions energy: -1015.619 where: short stacking energy: -420.671 Base-Backbone interact. energy: 2.450 local terms energy: -421.300755 where: bonds (distance) C4'-P energy: -70.721 bonds (distance) P-C4' energy: -88.711 flat angles C4'-P-C4' energy: -94.389 flat angles P-C4'-P energy: -47.280 tors. eta vs tors. theta energy: -120.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1310.826970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.826970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.826970 (E_RNA) where: Base-Base interactions energy: -910.674 where: short stacking energy: -372.004 Base-Backbone interact. energy: 1.841 local terms energy: -401.993703 where: bonds (distance) C4'-P energy: -82.097 bonds (distance) P-C4' energy: -70.904 flat angles C4'-P-C4' energy: -95.909 flat angles P-C4'-P energy: -54.207 tors. eta vs tors. theta energy: -98.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -1248.740949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.740949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.740949 (E_RNA) where: Base-Base interactions energy: -846.646 where: short stacking energy: -342.544 Base-Backbone interact. energy: -0.972 local terms energy: -401.122174 where: bonds (distance) C4'-P energy: -72.345 bonds (distance) P-C4' energy: -80.812 flat angles C4'-P-C4' energy: -96.910 flat angles P-C4'-P energy: -63.871 tors. eta vs tors. theta energy: -87.184 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: 7 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -1032.275031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.275031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.275031 (E_RNA) where: Base-Base interactions energy: -674.913 where: short stacking energy: -275.181 Base-Backbone interact. energy: 2.572 local terms energy: -359.933720 where: bonds (distance) C4'-P energy: -86.356 bonds (distance) P-C4' energy: -78.419 flat angles C4'-P-C4' energy: -76.495 flat angles P-C4'-P energy: -59.448 tors. eta vs tors. theta energy: -59.217 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: 4 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1909.567069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.567069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.567069 (E_RNA) where: Base-Base interactions energy: -1355.278 where: short stacking energy: -544.636 Base-Backbone interact. energy: -0.214 local terms energy: -554.074644 where: bonds (distance) C4'-P energy: -88.921 bonds (distance) P-C4' energy: -108.112 flat angles C4'-P-C4' energy: -106.490 flat angles P-C4'-P energy: -81.268 tors. eta vs tors. theta energy: -169.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1787.925193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.925193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.925193 (E_RNA) where: Base-Base interactions energy: -1263.820 where: short stacking energy: -519.333 Base-Backbone interact. energy: -1.935 local terms energy: -522.170704 where: bonds (distance) C4'-P energy: -83.012 bonds (distance) P-C4' energy: -93.777 flat angles C4'-P-C4' energy: -110.067 flat angles P-C4'-P energy: -79.305 tors. eta vs tors. theta energy: -156.009 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: 3, replica: 9 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1789.981811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.981811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.981811 (E_RNA) where: Base-Base interactions energy: -1259.202 where: short stacking energy: -515.122 Base-Backbone interact. energy: 0.220 local terms energy: -530.999700 where: bonds (distance) C4'-P energy: -86.969 bonds (distance) P-C4' energy: -95.045 flat angles C4'-P-C4' energy: -110.457 flat angles P-C4'-P energy: -84.428 tors. eta vs tors. theta energy: -154.101 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: 1 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1704.655350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.655350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.655350 (E_RNA) where: Base-Base interactions energy: -1180.301 where: short stacking energy: -494.734 Base-Backbone interact. energy: -2.772 local terms energy: -521.583068 where: bonds (distance) C4'-P energy: -99.615 bonds (distance) P-C4' energy: -84.237 flat angles C4'-P-C4' energy: -105.562 flat angles P-C4'-P energy: -74.716 tors. eta vs tors. theta energy: -157.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1539.779791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.779791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.779791 (E_RNA) where: Base-Base interactions energy: -1078.308 where: short stacking energy: -446.270 Base-Backbone interact. energy: -0.304 local terms energy: -461.167493 where: bonds (distance) C4'-P energy: -77.915 bonds (distance) P-C4' energy: -84.139 flat angles C4'-P-C4' energy: -93.685 flat angles P-C4'-P energy: -65.417 tors. eta vs tors. theta energy: -140.012 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: 6, replica: 10 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1487.158805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.158805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.158805 (E_RNA) where: Base-Base interactions energy: -1025.503 where: short stacking energy: -416.644 Base-Backbone interact. energy: 2.124 local terms energy: -463.780321 where: bonds (distance) C4'-P energy: -78.356 bonds (distance) P-C4' energy: -94.357 flat angles C4'-P-C4' energy: -97.871 flat angles P-C4'-P energy: -71.346 tors. eta vs tors. theta energy: -121.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1379.997968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.997968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.997968 (E_RNA) where: Base-Base interactions energy: -981.571 where: short stacking energy: -397.602 Base-Backbone interact. energy: 0.252 local terms energy: -398.679488 where: bonds (distance) C4'-P energy: -77.435 bonds (distance) P-C4' energy: -68.151 flat angles C4'-P-C4' energy: -89.038 flat angles P-C4'-P energy: -45.505 tors. eta vs tors. theta energy: -118.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1312.050964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.050964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.050964 (E_RNA) where: Base-Base interactions energy: -889.179 where: short stacking energy: -381.490 Base-Backbone interact. energy: -0.333 local terms energy: -422.539672 where: bonds (distance) C4'-P energy: -70.075 bonds (distance) P-C4' energy: -89.106 flat angles C4'-P-C4' energy: -90.090 flat angles P-C4'-P energy: -65.438 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: 9, replica: 2 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -1291.649734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.649734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.649734 (E_RNA) where: Base-Base interactions energy: -892.322 where: short stacking energy: -367.863 Base-Backbone interact. energy: 0.790 local terms energy: -400.118076 where: bonds (distance) C4'-P energy: -83.267 bonds (distance) P-C4' energy: -75.238 flat angles C4'-P-C4' energy: -83.083 flat angles P-C4'-P energy: -50.751 tors. eta vs tors. theta energy: -107.778 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: 7 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -1099.679371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.679371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.679371 (E_RNA) where: Base-Base interactions energy: -760.946 where: short stacking energy: -315.966 Base-Backbone interact. energy: -0.221 local terms energy: -338.512953 where: bonds (distance) C4'-P energy: -70.159 bonds (distance) P-C4' energy: -66.458 flat angles C4'-P-C4' energy: -72.673 flat angles P-C4'-P energy: -57.001 tors. eta vs tors. theta energy: -72.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1897.790332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.790332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.790332 (E_RNA) where: Base-Base interactions energy: -1362.475 where: short stacking energy: -526.922 Base-Backbone interact. energy: 0.219 local terms energy: -535.534765 where: bonds (distance) C4'-P energy: -100.496 bonds (distance) P-C4' energy: -93.051 flat angles C4'-P-C4' energy: -108.225 flat angles P-C4'-P energy: -72.042 tors. eta vs tors. theta energy: -161.721 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: 3 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1798.988882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.988882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.988882 (E_RNA) where: Base-Base interactions energy: -1255.226 where: short stacking energy: -520.526 Base-Backbone interact. energy: -3.697 local terms energy: -540.065145 where: bonds (distance) C4'-P energy: -101.530 bonds (distance) P-C4' energy: -100.383 flat angles C4'-P-C4' energy: -107.796 flat angles P-C4'-P energy: -79.058 tors. eta vs tors. theta energy: -151.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1785.262112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.262112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.262112 (E_RNA) where: Base-Base interactions energy: -1250.853 where: short stacking energy: -494.420 Base-Backbone interact. energy: -1.537 local terms energy: -532.871794 where: bonds (distance) C4'-P energy: -96.874 bonds (distance) P-C4' energy: -99.793 flat angles C4'-P-C4' energy: -110.558 flat angles P-C4'-P energy: -69.759 tors. eta vs tors. theta energy: -155.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1680.344805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.344805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.344805 (E_RNA) where: Base-Base interactions energy: -1160.846 where: short stacking energy: -482.398 Base-Backbone interact. energy: -1.348 local terms energy: -518.150643 where: bonds (distance) C4'-P energy: -92.582 bonds (distance) P-C4' energy: -96.057 flat angles C4'-P-C4' energy: -109.149 flat angles P-C4'-P energy: -69.640 tors. eta vs tors. theta energy: -150.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -1576.388806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.388806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.388806 (E_RNA) where: Base-Base interactions energy: -1069.182 where: short stacking energy: -450.135 Base-Backbone interact. energy: -1.213 local terms energy: -505.993468 where: bonds (distance) C4'-P energy: -79.903 bonds (distance) P-C4' energy: -98.684 flat angles C4'-P-C4' energy: -105.306 flat angles P-C4'-P energy: -81.028 tors. eta vs tors. theta energy: -141.073 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: 362 Temperature: 1.150000 Total energy: -1503.052414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.052414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.052414 (E_RNA) where: Base-Base interactions energy: -1042.658 where: short stacking energy: -431.935 Base-Backbone interact. energy: 0.187 local terms energy: -460.581685 where: bonds (distance) C4'-P energy: -80.101 bonds (distance) P-C4' energy: -86.445 flat angles C4'-P-C4' energy: -104.394 flat angles P-C4'-P energy: -61.144 tors. eta vs tors. theta energy: -128.497 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: 5 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1406.383788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.383788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.383788 (E_RNA) where: Base-Base interactions energy: -960.189 where: short stacking energy: -392.876 Base-Backbone interact. energy: -0.690 local terms energy: -445.504688 where: bonds (distance) C4'-P energy: -75.407 bonds (distance) P-C4' energy: -83.416 flat angles C4'-P-C4' energy: -102.763 flat angles P-C4'-P energy: -74.240 tors. eta vs tors. theta energy: -109.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1290.874000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.874000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.874000 (E_RNA) where: Base-Base interactions energy: -869.340 where: short stacking energy: -361.227 Base-Backbone interact. energy: 0.466 local terms energy: -421.999764 where: bonds (distance) C4'-P energy: -65.689 bonds (distance) P-C4' energy: -90.770 flat angles C4'-P-C4' energy: -99.697 flat angles P-C4'-P energy: -69.301 tors. eta vs tors. theta energy: -96.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -1218.484728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.484728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.484728 (E_RNA) where: Base-Base interactions energy: -832.724 where: short stacking energy: -332.206 Base-Backbone interact. energy: -1.227 local terms energy: -384.533617 where: bonds (distance) C4'-P energy: -68.707 bonds (distance) P-C4' energy: -93.216 flat angles C4'-P-C4' energy: -76.520 flat angles P-C4'-P energy: -55.677 tors. eta vs tors. theta energy: -90.415 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: 7 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -979.331600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.331600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.331600 (E_RNA) where: Base-Base interactions energy: -642.087 where: short stacking energy: -264.928 Base-Backbone interact. energy: -0.651 local terms energy: -336.593620 where: bonds (distance) C4'-P energy: -85.628 bonds (distance) P-C4' energy: -66.390 flat angles C4'-P-C4' energy: -85.713 flat angles P-C4'-P energy: -38.821 tors. eta vs tors. theta energy: -60.042 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: 4 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1926.731088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.731088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.731088 (E_RNA) where: Base-Base interactions energy: -1364.793 where: short stacking energy: -519.327 Base-Backbone interact. energy: -2.362 local terms energy: -559.576502 where: bonds (distance) C4'-P energy: -97.260 bonds (distance) P-C4' energy: -103.290 flat angles C4'-P-C4' energy: -114.670 flat angles P-C4'-P energy: -75.855 tors. eta vs tors. theta energy: -168.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1821.519375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.519375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.519375 (E_RNA) where: Base-Base interactions energy: -1282.629 where: short stacking energy: -504.079 Base-Backbone interact. energy: 0.732 local terms energy: -539.622969 where: bonds (distance) C4'-P energy: -96.402 bonds (distance) P-C4' energy: -92.970 flat angles C4'-P-C4' energy: -111.871 flat angles P-C4'-P energy: -79.196 tors. eta vs tors. theta energy: -159.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1764.315474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.315474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.315474 (E_RNA) where: Base-Base interactions energy: -1242.628 where: short stacking energy: -515.290 Base-Backbone interact. energy: 1.691 local terms energy: -523.379137 where: bonds (distance) C4'-P energy: -88.239 bonds (distance) P-C4' energy: -87.137 flat angles C4'-P-C4' energy: -114.367 flat angles P-C4'-P energy: -76.601 tors. eta vs tors. theta energy: -157.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1700.247268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.247268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.247268 (E_RNA) where: Base-Base interactions energy: -1195.836 where: short stacking energy: -501.750 Base-Backbone interact. energy: -1.943 local terms energy: -502.468114 where: bonds (distance) C4'-P energy: -90.061 bonds (distance) P-C4' energy: -85.988 flat angles C4'-P-C4' energy: -97.976 flat angles P-C4'-P energy: -68.260 tors. eta vs tors. theta energy: -160.183 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: 5, replica: 8 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1575.063820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.063820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.063820 (E_RNA) where: Base-Base interactions energy: -1087.851 where: short stacking energy: -478.443 Base-Backbone interact. energy: 3.403 local terms energy: -490.615731 where: bonds (distance) C4'-P energy: -87.676 bonds (distance) P-C4' energy: -91.869 flat angles C4'-P-C4' energy: -90.711 flat angles P-C4'-P energy: -76.937 tors. eta vs tors. theta energy: -143.423 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: 10 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1459.960199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.960199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.960199 (E_RNA) where: Base-Base interactions energy: -1002.937 where: short stacking energy: -394.548 Base-Backbone interact. energy: -1.686 local terms energy: -455.336810 where: bonds (distance) C4'-P energy: -84.930 bonds (distance) P-C4' energy: -84.955 flat angles C4'-P-C4' energy: -103.650 flat angles P-C4'-P energy: -61.849 tors. eta vs tors. theta energy: -119.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1440.957619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.957619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.957619 (E_RNA) where: Base-Base interactions energy: -1002.417 where: short stacking energy: -410.941 Base-Backbone interact. energy: -0.008 local terms energy: -438.532813 where: bonds (distance) C4'-P energy: -75.038 bonds (distance) P-C4' energy: -89.467 flat angles C4'-P-C4' energy: -100.971 flat angles P-C4'-P energy: -56.346 tors. eta vs tors. theta energy: -116.712 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: 8, replica: 2 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1281.010286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.010286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.010286 (E_RNA) where: Base-Base interactions energy: -874.911 where: short stacking energy: -369.343 Base-Backbone interact. energy: 0.196 local terms energy: -406.295204 where: bonds (distance) C4'-P energy: -70.893 bonds (distance) P-C4' energy: -69.290 flat angles C4'-P-C4' energy: -103.889 flat angles P-C4'-P energy: -68.183 tors. eta vs tors. theta energy: -94.040 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: 6 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -1240.788281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.788281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.788281 (E_RNA) where: Base-Base interactions energy: -847.810 where: short stacking energy: -356.260 Base-Backbone interact. energy: -0.548 local terms energy: -392.429956 where: bonds (distance) C4'-P energy: -65.425 bonds (distance) P-C4' energy: -83.587 flat angles C4'-P-C4' energy: -92.136 flat angles P-C4'-P energy: -46.924 tors. eta vs tors. theta energy: -104.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -1029.632084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.632084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.632084 (E_RNA) where: Base-Base interactions energy: -674.308 where: short stacking energy: -284.981 Base-Backbone interact. energy: -0.923 local terms energy: -354.401458 where: bonds (distance) C4'-P energy: -70.150 bonds (distance) P-C4' energy: -85.012 flat angles C4'-P-C4' energy: -72.000 flat angles P-C4'-P energy: -58.549 tors. eta vs tors. theta energy: -68.691 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: 4 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1896.775083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.775083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.775083 (E_RNA) where: Base-Base interactions energy: -1353.909 where: short stacking energy: -537.567 Base-Backbone interact. energy: -1.564 local terms energy: -541.302117 where: bonds (distance) C4'-P energy: -98.716 bonds (distance) P-C4' energy: -88.695 flat angles C4'-P-C4' energy: -113.520 flat angles P-C4'-P energy: -70.638 tors. eta vs tors. theta energy: -169.734 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: 364 Temperature: 0.950000 Total energy: -1820.626902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.626902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.626902 (E_RNA) where: Base-Base interactions energy: -1296.785 where: short stacking energy: -514.301 Base-Backbone interact. energy: 2.013 local terms energy: -525.855816 where: bonds (distance) C4'-P energy: -94.367 bonds (distance) P-C4' energy: -92.145 flat angles C4'-P-C4' energy: -112.138 flat angles P-C4'-P energy: -65.383 tors. eta vs tors. theta energy: -161.823 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: 364 Temperature: 1.000000 Total energy: -1766.473945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.473945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.473945 (E_RNA) where: Base-Base interactions energy: -1229.256 where: short stacking energy: -497.464 Base-Backbone interact. energy: -1.339 local terms energy: -535.878608 where: bonds (distance) C4'-P energy: -82.802 bonds (distance) P-C4' energy: -100.369 flat angles C4'-P-C4' energy: -108.854 flat angles P-C4'-P energy: -80.394 tors. eta vs tors. theta energy: -163.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1689.012322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.012322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.012322 (E_RNA) where: Base-Base interactions energy: -1188.743 where: short stacking energy: -494.356 Base-Backbone interact. energy: -1.745 local terms energy: -498.524569 where: bonds (distance) C4'-P energy: -77.493 bonds (distance) P-C4' energy: -80.134 flat angles C4'-P-C4' energy: -119.691 flat angles P-C4'-P energy: -66.580 tors. eta vs tors. theta energy: -154.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -1562.911369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.911369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.911369 (E_RNA) where: Base-Base interactions energy: -1083.489 where: short stacking energy: -449.715 Base-Backbone interact. energy: 0.196 local terms energy: -479.618424 where: bonds (distance) C4'-P energy: -94.208 bonds (distance) P-C4' energy: -82.182 flat angles C4'-P-C4' energy: -107.232 flat angles P-C4'-P energy: -60.150 tors. eta vs tors. theta energy: -135.845 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: 364 Temperature: 1.150000 Total energy: -1486.340042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.340042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.340042 (E_RNA) where: Base-Base interactions energy: -1045.593 where: short stacking energy: -429.029 Base-Backbone interact. energy: -1.354 local terms energy: -439.392663 where: bonds (distance) C4'-P energy: -83.886 bonds (distance) P-C4' energy: -66.522 flat angles C4'-P-C4' energy: -101.005 flat angles P-C4'-P energy: -62.774 tors. eta vs tors. theta energy: -125.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1403.150307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.150307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.150307 (E_RNA) where: Base-Base interactions energy: -954.170 where: short stacking energy: -377.644 Base-Backbone interact. energy: -0.680 local terms energy: -448.301060 where: bonds (distance) C4'-P energy: -87.461 bonds (distance) P-C4' energy: -94.859 flat angles C4'-P-C4' energy: -88.079 flat angles P-C4'-P energy: -64.768 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: 8, replica: 2 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1281.127982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.127982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.127982 (E_RNA) where: Base-Base interactions energy: -887.261 where: short stacking energy: -347.233 Base-Backbone interact. energy: -1.402 local terms energy: -392.465384 where: bonds (distance) C4'-P energy: -79.987 bonds (distance) P-C4' energy: -86.578 flat angles C4'-P-C4' energy: -78.193 flat angles P-C4'-P energy: -60.520 tors. eta vs tors. theta energy: -87.188 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: 6 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -1250.467720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.467720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.467720 (E_RNA) where: Base-Base interactions energy: -846.905 where: short stacking energy: -341.837 Base-Backbone interact. energy: 0.528 local terms energy: -404.091238 where: bonds (distance) C4'-P energy: -75.780 bonds (distance) P-C4' energy: -101.768 flat angles C4'-P-C4' energy: -83.938 flat angles P-C4'-P energy: -50.713 tors. eta vs tors. theta energy: -91.893 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: 7 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -1078.217543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.217543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.217543 (E_RNA) where: Base-Base interactions energy: -738.477 where: short stacking energy: -309.288 Base-Backbone interact. energy: 3.262 local terms energy: -343.002545 where: bonds (distance) C4'-P energy: -63.926 bonds (distance) P-C4' energy: -79.763 flat angles C4'-P-C4' energy: -76.032 flat angles P-C4'-P energy: -50.213 tors. eta vs tors. theta energy: -73.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1922.918988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.918988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.918988 (E_RNA) where: Base-Base interactions energy: -1381.752 where: short stacking energy: -542.122 Base-Backbone interact. energy: 0.820 local terms energy: -541.986953 where: bonds (distance) C4'-P energy: -89.938 bonds (distance) P-C4' energy: -105.330 flat angles C4'-P-C4' energy: -117.347 flat angles P-C4'-P energy: -69.970 tors. eta vs tors. theta energy: -159.402 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: 365 Temperature: 0.950000 Total energy: -1814.697053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.697053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.697053 (E_RNA) where: Base-Base interactions energy: -1269.286 where: short stacking energy: -508.993 Base-Backbone interact. energy: -1.825 local terms energy: -543.586077 where: bonds (distance) C4'-P energy: -94.955 bonds (distance) P-C4' energy: -94.199 flat angles C4'-P-C4' energy: -112.846 flat angles P-C4'-P energy: -83.457 tors. eta vs tors. theta energy: -158.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1771.247688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.247688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.247688 (E_RNA) where: Base-Base interactions energy: -1261.502 where: short stacking energy: -518.247 Base-Backbone interact. energy: -3.651 local terms energy: -506.094505 where: bonds (distance) C4'-P energy: -94.887 bonds (distance) P-C4' energy: -80.491 flat angles C4'-P-C4' energy: -98.806 flat angles P-C4'-P energy: -76.747 tors. eta vs tors. theta energy: -155.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1691.027343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.027343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.027343 (E_RNA) where: Base-Base interactions energy: -1182.144 where: short stacking energy: -466.487 Base-Backbone interact. energy: -0.594 local terms energy: -508.289627 where: bonds (distance) C4'-P energy: -90.726 bonds (distance) P-C4' energy: -95.924 flat angles C4'-P-C4' energy: -101.283 flat angles P-C4'-P energy: -68.225 tors. eta vs tors. theta energy: -152.132 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: 365 Temperature: 1.100000 Total energy: -1560.945618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.945618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.945618 (E_RNA) where: Base-Base interactions energy: -1082.495 where: short stacking energy: -454.341 Base-Backbone interact. energy: -1.149 local terms energy: -477.300926 where: bonds (distance) C4'-P energy: -93.128 bonds (distance) P-C4' energy: -57.438 flat angles C4'-P-C4' energy: -109.378 flat angles P-C4'-P energy: -72.071 tors. eta vs tors. theta energy: -145.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1467.151130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.151130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.151130 (E_RNA) where: Base-Base interactions energy: -1017.187 where: short stacking energy: -419.411 Base-Backbone interact. energy: 4.175 local terms energy: -454.138933 where: bonds (distance) C4'-P energy: -88.260 bonds (distance) P-C4' energy: -87.383 flat angles C4'-P-C4' energy: -91.959 flat angles P-C4'-P energy: -66.814 tors. eta vs tors. theta energy: -119.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1408.412698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.412698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.412698 (E_RNA) where: Base-Base interactions energy: -979.615 where: short stacking energy: -383.852 Base-Backbone interact. energy: -1.137 local terms energy: -427.659882 where: bonds (distance) C4'-P energy: -77.599 bonds (distance) P-C4' energy: -81.320 flat angles C4'-P-C4' energy: -92.870 flat angles P-C4'-P energy: -64.359 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: 8, replica: 6 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1273.188389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.188389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.188389 (E_RNA) where: Base-Base interactions energy: -856.297 where: short stacking energy: -354.349 Base-Backbone interact. energy: -0.498 local terms energy: -416.393425 where: bonds (distance) C4'-P energy: -81.275 bonds (distance) P-C4' energy: -80.743 flat angles C4'-P-C4' energy: -100.915 flat angles P-C4'-P energy: -52.617 tors. eta vs tors. theta energy: -100.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -1248.352796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.352796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.352796 (E_RNA) where: Base-Base interactions energy: -839.066 where: short stacking energy: -361.348 Base-Backbone interact. energy: 0.254 local terms energy: -409.540948 where: bonds (distance) C4'-P energy: -66.425 bonds (distance) P-C4' energy: -78.974 flat angles C4'-P-C4' energy: -89.446 flat angles P-C4'-P energy: -69.294 tors. eta vs tors. theta energy: -105.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -1034.204922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.204922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.204922 (E_RNA) where: Base-Base interactions energy: -704.322 where: short stacking energy: -308.259 Base-Backbone interact. energy: -1.242 local terms energy: -328.641068 where: bonds (distance) C4'-P energy: -70.727 bonds (distance) P-C4' energy: -76.999 flat angles C4'-P-C4' energy: -67.025 flat angles P-C4'-P energy: -42.671 tors. eta vs tors. theta energy: -71.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1899.630581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.630581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.630581 (E_RNA) where: Base-Base interactions energy: -1340.564 where: short stacking energy: -540.749 Base-Backbone interact. energy: 3.036 local terms energy: -562.102901 where: bonds (distance) C4'-P energy: -97.035 bonds (distance) P-C4' energy: -98.471 flat angles C4'-P-C4' energy: -112.745 flat angles P-C4'-P energy: -85.934 tors. eta vs tors. theta energy: -167.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1844.065339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.065339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.065339 (E_RNA) where: Base-Base interactions energy: -1306.291 where: short stacking energy: -510.157 Base-Backbone interact. energy: -0.811 local terms energy: -536.963635 where: bonds (distance) C4'-P energy: -98.100 bonds (distance) P-C4' energy: -87.137 flat angles C4'-P-C4' energy: -109.479 flat angles P-C4'-P energy: -81.050 tors. eta vs tors. theta energy: -161.198 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: 3 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1781.601690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.601690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.601690 (E_RNA) where: Base-Base interactions energy: -1256.028 where: short stacking energy: -512.533 Base-Backbone interact. energy: 0.620 local terms energy: -526.193866 where: bonds (distance) C4'-P energy: -88.860 bonds (distance) P-C4' energy: -83.765 flat angles C4'-P-C4' energy: -112.584 flat angles P-C4'-P energy: -78.203 tors. eta vs tors. theta energy: -162.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1708.502415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.502415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.502415 (E_RNA) where: Base-Base interactions energy: -1189.661 where: short stacking energy: -492.758 Base-Backbone interact. energy: -0.021 local terms energy: -518.820428 where: bonds (distance) C4'-P energy: -89.342 bonds (distance) P-C4' energy: -84.954 flat angles C4'-P-C4' energy: -104.563 flat angles P-C4'-P energy: -79.676 tors. eta vs tors. theta energy: -160.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -1603.619033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.619033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.619033 (E_RNA) where: Base-Base interactions energy: -1112.840 where: short stacking energy: -459.441 Base-Backbone interact. energy: 0.057 local terms energy: -490.835770 where: bonds (distance) C4'-P energy: -79.653 bonds (distance) P-C4' energy: -99.089 flat angles C4'-P-C4' energy: -98.663 flat angles P-C4'-P energy: -71.819 tors. eta vs tors. theta energy: -141.612 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: 10 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1444.098066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.098066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.098066 (E_RNA) where: Base-Base interactions energy: -996.462 where: short stacking energy: -411.570 Base-Backbone interact. energy: -1.149 local terms energy: -446.487092 where: bonds (distance) C4'-P energy: -86.279 bonds (distance) P-C4' energy: -80.657 flat angles C4'-P-C4' energy: -105.726 flat angles P-C4'-P energy: -60.304 tors. eta vs tors. theta energy: -113.521 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: 7, replica: 5 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1408.845004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.845004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.845004 (E_RNA) where: Base-Base interactions energy: -976.942 where: short stacking energy: -381.280 Base-Backbone interact. energy: 1.491 local terms energy: -433.394519 where: bonds (distance) C4'-P energy: -88.321 bonds (distance) P-C4' energy: -84.559 flat angles C4'-P-C4' energy: -92.366 flat angles P-C4'-P energy: -67.061 tors. eta vs tors. theta energy: -101.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1247.903813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.903813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.903813 (E_RNA) where: Base-Base interactions energy: -856.139 where: short stacking energy: -374.124 Base-Backbone interact. energy: 0.666 local terms energy: -392.430867 where: bonds (distance) C4'-P energy: -78.933 bonds (distance) P-C4' energy: -62.881 flat angles C4'-P-C4' energy: -91.497 flat angles P-C4'-P energy: -48.906 tors. eta vs tors. theta energy: -110.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -1246.082373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.082373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.082373 (E_RNA) where: Base-Base interactions energy: -840.264 where: short stacking energy: -344.412 Base-Backbone interact. energy: 0.932 local terms energy: -406.750496 where: bonds (distance) C4'-P energy: -74.969 bonds (distance) P-C4' energy: -82.959 flat angles C4'-P-C4' energy: -83.877 flat angles P-C4'-P energy: -67.272 tors. eta vs tors. theta energy: -97.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -992.337551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.337551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.337551 (E_RNA) where: Base-Base interactions energy: -647.721 where: short stacking energy: -273.101 Base-Backbone interact. energy: 0.068 local terms energy: -344.684842 where: bonds (distance) C4'-P energy: -68.420 bonds (distance) P-C4' energy: -67.359 flat angles C4'-P-C4' energy: -91.376 flat angles P-C4'-P energy: -49.260 tors. eta vs tors. theta energy: -68.270 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: 1, replica: 4 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1896.645022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.645022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.645022 (E_RNA) where: Base-Base interactions energy: -1341.111 where: short stacking energy: -529.808 Base-Backbone interact. energy: 0.280 local terms energy: -555.813554 where: bonds (distance) C4'-P energy: -101.265 bonds (distance) P-C4' energy: -92.189 flat angles C4'-P-C4' energy: -116.767 flat angles P-C4'-P energy: -81.634 tors. eta vs tors. theta energy: -163.959 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: 9 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1845.499097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.499097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.499097 (E_RNA) where: Base-Base interactions energy: -1307.347 where: short stacking energy: -503.434 Base-Backbone interact. energy: -2.828 local terms energy: -535.324190 where: bonds (distance) C4'-P energy: -99.230 bonds (distance) P-C4' energy: -89.470 flat angles C4'-P-C4' energy: -109.916 flat angles P-C4'-P energy: -82.747 tors. eta vs tors. theta energy: -153.961 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: 3, replica: 3 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1779.737749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.737749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.737749 (E_RNA) where: Base-Base interactions energy: -1240.789 where: short stacking energy: -517.626 Base-Backbone interact. energy: -2.768 local terms energy: -536.180700 where: bonds (distance) C4'-P energy: -83.919 bonds (distance) P-C4' energy: -93.472 flat angles C4'-P-C4' energy: -114.912 flat angles P-C4'-P energy: -80.592 tors. eta vs tors. theta energy: -163.285 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: 1 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1726.652526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.652526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.652526 (E_RNA) where: Base-Base interactions energy: -1230.735 where: short stacking energy: -494.007 Base-Backbone interact. energy: -1.148 local terms energy: -494.769068 where: bonds (distance) C4'-P energy: -70.396 bonds (distance) P-C4' energy: -92.788 flat angles C4'-P-C4' energy: -107.116 flat angles P-C4'-P energy: -68.741 tors. eta vs tors. theta energy: -155.727 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: 5, replica: 8 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1617.499945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.499945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.499945 (E_RNA) where: Base-Base interactions energy: -1129.246 where: short stacking energy: -464.301 Base-Backbone interact. energy: -1.175 local terms energy: -487.078392 where: bonds (distance) C4'-P energy: -81.751 bonds (distance) P-C4' energy: -96.206 flat angles C4'-P-C4' energy: -99.436 flat angles P-C4'-P energy: -66.853 tors. eta vs tors. theta energy: -142.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1450.917657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.917657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.917657 (E_RNA) where: Base-Base interactions energy: -1002.617 where: short stacking energy: -417.312 Base-Backbone interact. energy: -0.750 local terms energy: -447.550473 where: bonds (distance) C4'-P energy: -82.939 bonds (distance) P-C4' energy: -74.893 flat angles C4'-P-C4' energy: -104.423 flat angles P-C4'-P energy: -69.311 tors. eta vs tors. theta energy: -115.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1402.390583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.390583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.390583 (E_RNA) where: Base-Base interactions energy: -978.531 where: short stacking energy: -387.825 Base-Backbone interact. energy: 2.787 local terms energy: -426.646062 where: bonds (distance) C4'-P energy: -70.587 bonds (distance) P-C4' energy: -87.791 flat angles C4'-P-C4' energy: -96.003 flat angles P-C4'-P energy: -61.985 tors. eta vs tors. theta energy: -110.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1254.740926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.740926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.740926 (E_RNA) where: Base-Base interactions energy: -833.636 where: short stacking energy: -372.029 Base-Backbone interact. energy: 2.437 local terms energy: -423.541406 where: bonds (distance) C4'-P energy: -74.622 bonds (distance) P-C4' energy: -79.741 flat angles C4'-P-C4' energy: -103.575 flat angles P-C4'-P energy: -61.405 tors. eta vs tors. theta energy: -104.199 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: 2 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -1218.531654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.531654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.531654 (E_RNA) where: Base-Base interactions energy: -828.064 where: short stacking energy: -346.399 Base-Backbone interact. energy: 0.556 local terms energy: -391.024337 where: bonds (distance) C4'-P energy: -83.137 bonds (distance) P-C4' energy: -79.131 flat angles C4'-P-C4' energy: -81.563 flat angles P-C4'-P energy: -47.892 tors. eta vs tors. theta energy: -99.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -1123.366181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.366181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.366181 (E_RNA) where: Base-Base interactions energy: -742.282 where: short stacking energy: -308.241 Base-Backbone interact. energy: 0.773 local terms energy: -381.857126 where: bonds (distance) C4'-P energy: -87.596 bonds (distance) P-C4' energy: -86.122 flat angles C4'-P-C4' energy: -78.115 flat angles P-C4'-P energy: -52.275 tors. eta vs tors. theta energy: -77.749 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: 4 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1886.255564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.255564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.255564 (E_RNA) where: Base-Base interactions energy: -1330.956 where: short stacking energy: -546.661 Base-Backbone interact. energy: -2.236 local terms energy: -553.063691 where: bonds (distance) C4'-P energy: -99.791 bonds (distance) P-C4' energy: -100.683 flat angles C4'-P-C4' energy: -107.119 flat angles P-C4'-P energy: -79.682 tors. eta vs tors. theta energy: -165.789 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: 9 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1838.666585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.666585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.666585 (E_RNA) where: Base-Base interactions energy: -1295.601 where: short stacking energy: -478.986 Base-Backbone interact. energy: 0.659 local terms energy: -543.725237 where: bonds (distance) C4'-P energy: -96.685 bonds (distance) P-C4' energy: -97.267 flat angles C4'-P-C4' energy: -109.196 flat angles P-C4'-P energy: -84.306 tors. eta vs tors. theta energy: -156.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1731.492444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.492444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.492444 (E_RNA) where: Base-Base interactions energy: -1207.412 where: short stacking energy: -493.271 Base-Backbone interact. energy: -3.097 local terms energy: -520.983500 where: bonds (distance) C4'-P energy: -95.697 bonds (distance) P-C4' energy: -82.220 flat angles C4'-P-C4' energy: -110.402 flat angles P-C4'-P energy: -85.068 tors. eta vs tors. theta energy: -147.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1761.735102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.735102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.735102 (E_RNA) where: Base-Base interactions energy: -1235.314 where: short stacking energy: -502.708 Base-Backbone interact. energy: 1.115 local terms energy: -527.536179 where: bonds (distance) C4'-P energy: -87.689 bonds (distance) P-C4' energy: -96.650 flat angles C4'-P-C4' energy: -110.226 flat angles P-C4'-P energy: -71.931 tors. eta vs tors. theta energy: -161.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -1568.051273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.051273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.051273 (E_RNA) where: Base-Base interactions energy: -1093.387 where: short stacking energy: -459.398 Base-Backbone interact. energy: -1.676 local terms energy: -472.988188 where: bonds (distance) C4'-P energy: -75.026 bonds (distance) P-C4' energy: -77.528 flat angles C4'-P-C4' energy: -103.559 flat angles P-C4'-P energy: -78.577 tors. eta vs tors. theta energy: -138.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1452.907141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.907141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.907141 (E_RNA) where: Base-Base interactions energy: -979.494 where: short stacking energy: -394.656 Base-Backbone interact. energy: 0.045 local terms energy: -473.458588 where: bonds (distance) C4'-P energy: -90.887 bonds (distance) P-C4' energy: -82.616 flat angles C4'-P-C4' energy: -103.293 flat angles P-C4'-P energy: -70.230 tors. eta vs tors. theta energy: -126.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1423.507635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.507635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.507635 (E_RNA) where: Base-Base interactions energy: -974.257 where: short stacking energy: -404.120 Base-Backbone interact. energy: 0.175 local terms energy: -449.425128 where: bonds (distance) C4'-P energy: -89.906 bonds (distance) P-C4' energy: -93.929 flat angles C4'-P-C4' energy: -84.431 flat angles P-C4'-P energy: -68.614 tors. eta vs tors. theta energy: -112.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1278.286429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.286429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.286429 (E_RNA) where: Base-Base interactions energy: -874.362 where: short stacking energy: -359.017 Base-Backbone interact. energy: -0.318 local terms energy: -403.606383 where: bonds (distance) C4'-P energy: -76.078 bonds (distance) P-C4' energy: -82.595 flat angles C4'-P-C4' energy: -93.954 flat angles P-C4'-P energy: -54.088 tors. eta vs tors. theta energy: -96.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -1240.785962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.785962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.785962 (E_RNA) where: Base-Base interactions energy: -867.866 where: short stacking energy: -362.927 Base-Backbone interact. energy: -2.422 local terms energy: -370.498687 where: bonds (distance) C4'-P energy: -75.122 bonds (distance) P-C4' energy: -69.996 flat angles C4'-P-C4' energy: -74.081 flat angles P-C4'-P energy: -56.195 tors. eta vs tors. theta energy: -95.105 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: 7 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -1086.798560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.798560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.798560 (E_RNA) where: Base-Base interactions energy: -726.198 where: short stacking energy: -307.720 Base-Backbone interact. energy: -0.360 local terms energy: -360.240404 where: bonds (distance) C4'-P energy: -64.707 bonds (distance) P-C4' energy: -75.238 flat angles C4'-P-C4' energy: -89.613 flat angles P-C4'-P energy: -52.813 tors. eta vs tors. theta energy: -77.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1920.335281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.335281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.335281 (E_RNA) where: Base-Base interactions energy: -1362.873 where: short stacking energy: -551.868 Base-Backbone interact. energy: 0.235 local terms energy: -557.697001 where: bonds (distance) C4'-P energy: -87.469 bonds (distance) P-C4' energy: -96.974 flat angles C4'-P-C4' energy: -119.540 flat angles P-C4'-P energy: -86.274 tors. eta vs tors. theta energy: -167.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1803.124800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.124800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.124800 (E_RNA) where: Base-Base interactions energy: -1275.064 where: short stacking energy: -505.315 Base-Backbone interact. energy: -0.519 local terms energy: -527.542029 where: bonds (distance) C4'-P energy: -99.811 bonds (distance) P-C4' energy: -105.067 flat angles C4'-P-C4' energy: -104.397 flat angles P-C4'-P energy: -70.692 tors. eta vs tors. theta energy: -147.575 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: 1 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1748.373694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.373694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.373694 (E_RNA) where: Base-Base interactions energy: -1217.412 where: short stacking energy: -506.747 Base-Backbone interact. energy: -1.855 local terms energy: -529.106854 where: bonds (distance) C4'-P energy: -95.020 bonds (distance) P-C4' energy: -93.278 flat angles C4'-P-C4' energy: -107.155 flat angles P-C4'-P energy: -71.388 tors. eta vs tors. theta energy: -162.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1754.967203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.967203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.967203 (E_RNA) where: Base-Base interactions energy: -1227.257 where: short stacking energy: -517.956 Base-Backbone interact. energy: -1.677 local terms energy: -526.033610 where: bonds (distance) C4'-P energy: -82.514 bonds (distance) P-C4' energy: -101.006 flat angles C4'-P-C4' energy: -106.408 flat angles P-C4'-P energy: -67.232 tors. eta vs tors. theta energy: -168.874 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: 8 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -1570.426107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.426107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.426107 (E_RNA) where: Base-Base interactions energy: -1100.896 where: short stacking energy: -451.254 Base-Backbone interact. energy: 1.765 local terms energy: -471.294943 where: bonds (distance) C4'-P energy: -87.200 bonds (distance) P-C4' energy: -88.176 flat angles C4'-P-C4' energy: -104.662 flat angles P-C4'-P energy: -61.032 tors. eta vs tors. theta energy: -130.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -1452.426827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.426827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.426827 (E_RNA) where: Base-Base interactions energy: -990.505 where: short stacking energy: -404.617 Base-Backbone interact. energy: -0.704 local terms energy: -461.217008 where: bonds (distance) C4'-P energy: -80.186 bonds (distance) P-C4' energy: -99.939 flat angles C4'-P-C4' energy: -95.581 flat angles P-C4'-P energy: -68.804 tors. eta vs tors. theta energy: -116.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1449.408178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.408178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.408178 (E_RNA) where: Base-Base interactions energy: -1013.169 where: short stacking energy: -404.431 Base-Backbone interact. energy: -0.726 local terms energy: -435.512866 where: bonds (distance) C4'-P energy: -85.034 bonds (distance) P-C4' energy: -74.960 flat angles C4'-P-C4' energy: -95.284 flat angles P-C4'-P energy: -65.673 tors. eta vs tors. theta energy: -114.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1299.321287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.321287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.321287 (E_RNA) where: Base-Base interactions energy: -883.255 where: short stacking energy: -382.479 Base-Backbone interact. energy: 1.781 local terms energy: -417.847641 where: bonds (distance) C4'-P energy: -79.274 bonds (distance) P-C4' energy: -75.737 flat angles C4'-P-C4' energy: -83.273 flat angles P-C4'-P energy: -75.835 tors. eta vs tors. theta energy: -103.729 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: 2 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -1300.977323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.977323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.977323 (E_RNA) where: Base-Base interactions energy: -881.342 where: short stacking energy: -368.380 Base-Backbone interact. energy: -1.886 local terms energy: -417.749363 where: bonds (distance) C4'-P energy: -89.793 bonds (distance) P-C4' energy: -83.822 flat angles C4'-P-C4' energy: -83.002 flat angles P-C4'-P energy: -58.272 tors. eta vs tors. theta energy: -102.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -1127.382931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.382931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.382931 (E_RNA) where: Base-Base interactions energy: -788.204 where: short stacking energy: -329.951 Base-Backbone interact. energy: 0.231 local terms energy: -339.409105 where: bonds (distance) C4'-P energy: -65.353 bonds (distance) P-C4' energy: -70.519 flat angles C4'-P-C4' energy: -84.465 flat angles P-C4'-P energy: -35.954 tors. eta vs tors. theta energy: -83.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1921.097575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.097575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.097575 (E_RNA) where: Base-Base interactions energy: -1367.910 where: short stacking energy: -541.345 Base-Backbone interact. energy: -2.617 local terms energy: -550.570717 where: bonds (distance) C4'-P energy: -88.126 bonds (distance) P-C4' energy: -99.218 flat angles C4'-P-C4' energy: -116.382 flat angles P-C4'-P energy: -82.634 tors. eta vs tors. theta energy: -164.211 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: 2, replica: 9 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1806.271033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.271033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.271033 (E_RNA) where: Base-Base interactions energy: -1280.716 where: short stacking energy: -494.049 Base-Backbone interact. energy: 2.545 local terms energy: -528.099519 where: bonds (distance) C4'-P energy: -91.441 bonds (distance) P-C4' energy: -98.539 flat angles C4'-P-C4' energy: -108.293 flat angles P-C4'-P energy: -80.331 tors. eta vs tors. theta energy: -149.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1765.831060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.831060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.831060 (E_RNA) where: Base-Base interactions energy: -1239.345 where: short stacking energy: -511.724 Base-Backbone interact. energy: -0.313 local terms energy: -526.173926 where: bonds (distance) C4'-P energy: -89.865 bonds (distance) P-C4' energy: -93.184 flat angles C4'-P-C4' energy: -107.193 flat angles P-C4'-P energy: -71.419 tors. eta vs tors. theta energy: -164.513 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: 1 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1666.693996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.693996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.693996 (E_RNA) where: Base-Base interactions energy: -1168.074 where: short stacking energy: -470.813 Base-Backbone interact. energy: 0.607 local terms energy: -499.227057 where: bonds (distance) C4'-P energy: -89.285 bonds (distance) P-C4' energy: -87.950 flat angles C4'-P-C4' energy: -103.717 flat angles P-C4'-P energy: -73.908 tors. eta vs tors. theta energy: -144.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -1571.559166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.559166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.559166 (E_RNA) where: Base-Base interactions energy: -1092.427 where: short stacking energy: -440.506 Base-Backbone interact. energy: -0.391 local terms energy: -478.741560 where: bonds (distance) C4'-P energy: -79.155 bonds (distance) P-C4' energy: -74.496 flat angles C4'-P-C4' energy: -106.206 flat angles P-C4'-P energy: -76.373 tors. eta vs tors. theta energy: -142.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1463.318239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.318239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.318239 (E_RNA) where: Base-Base interactions energy: -1005.694 where: short stacking energy: -414.870 Base-Backbone interact. energy: -2.144 local terms energy: -455.480494 where: bonds (distance) C4'-P energy: -90.891 bonds (distance) P-C4' energy: -76.151 flat angles C4'-P-C4' energy: -100.727 flat angles P-C4'-P energy: -62.545 tors. eta vs tors. theta energy: -125.166 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: 7, replica: 5 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1408.706776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.706776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.706776 (E_RNA) where: Base-Base interactions energy: -965.904 where: short stacking energy: -414.986 Base-Backbone interact. energy: -1.819 local terms energy: -440.984238 where: bonds (distance) C4'-P energy: -76.126 bonds (distance) P-C4' energy: -90.623 flat angles C4'-P-C4' energy: -93.075 flat angles P-C4'-P energy: -56.291 tors. eta vs tors. theta energy: -124.871 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: 6 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1277.326676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.326676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.326676 (E_RNA) where: Base-Base interactions energy: -867.721 where: short stacking energy: -369.373 Base-Backbone interact. energy: -1.567 local terms energy: -408.037961 where: bonds (distance) C4'-P energy: -77.246 bonds (distance) P-C4' energy: -84.861 flat angles C4'-P-C4' energy: -82.015 flat angles P-C4'-P energy: -64.204 tors. eta vs tors. theta energy: -99.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -1193.769203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.769203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.769203 (E_RNA) where: Base-Base interactions energy: -823.511 where: short stacking energy: -328.891 Base-Backbone interact. energy: -1.005 local terms energy: -369.252885 where: bonds (distance) C4'-P energy: -74.632 bonds (distance) P-C4' energy: -79.514 flat angles C4'-P-C4' energy: -87.747 flat angles P-C4'-P energy: -44.447 tors. eta vs tors. theta energy: -82.913 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: 370 Temperature: 1.350000 Total energy: -1137.613991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.613991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.613991 (E_RNA) where: Base-Base interactions energy: -755.310 where: short stacking energy: -318.810 Base-Backbone interact. energy: 5.572 local terms energy: -387.875238 where: bonds (distance) C4'-P energy: -77.309 bonds (distance) P-C4' energy: -62.597 flat angles C4'-P-C4' energy: -91.390 flat angles P-C4'-P energy: -68.133 tors. eta vs tors. theta energy: -88.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1924.222596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.222596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.222596 (E_RNA) where: Base-Base interactions energy: -1360.689 where: short stacking energy: -544.017 Base-Backbone interact. energy: -0.525 local terms energy: -563.008204 where: bonds (distance) C4'-P energy: -99.461 bonds (distance) P-C4' energy: -92.425 flat angles C4'-P-C4' energy: -116.388 flat angles P-C4'-P energy: -77.210 tors. eta vs tors. theta energy: -177.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1817.024143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.024143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.024143 (E_RNA) where: Base-Base interactions energy: -1267.612 where: short stacking energy: -487.960 Base-Backbone interact. energy: -0.618 local terms energy: -548.794184 where: bonds (distance) C4'-P energy: -106.421 bonds (distance) P-C4' energy: -91.800 flat angles C4'-P-C4' energy: -118.311 flat angles P-C4'-P energy: -77.513 tors. eta vs tors. theta energy: -154.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1773.890155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.890155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.890155 (E_RNA) where: Base-Base interactions energy: -1246.765 where: short stacking energy: -500.540 Base-Backbone interact. energy: 0.951 local terms energy: -528.076570 where: bonds (distance) C4'-P energy: -91.528 bonds (distance) P-C4' energy: -101.432 flat angles C4'-P-C4' energy: -108.261 flat angles P-C4'-P energy: -72.426 tors. eta vs tors. theta energy: -154.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -1693.913372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.913372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.913372 (E_RNA) where: Base-Base interactions energy: -1195.953 where: short stacking energy: -480.820 Base-Backbone interact. energy: -1.335 local terms energy: -496.625152 where: bonds (distance) C4'-P energy: -85.474 bonds (distance) P-C4' energy: -83.875 flat angles C4'-P-C4' energy: -99.832 flat angles P-C4'-P energy: -80.093 tors. eta vs tors. theta energy: -147.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -1594.165979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.165979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.165979 (E_RNA) where: Base-Base interactions energy: -1108.752 where: short stacking energy: -445.472 Base-Backbone interact. energy: -2.047 local terms energy: -483.367800 where: bonds (distance) C4'-P energy: -73.135 bonds (distance) P-C4' energy: -96.907 flat angles C4'-P-C4' energy: -103.767 flat angles P-C4'-P energy: -66.476 tors. eta vs tors. theta energy: -143.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1467.891739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.891739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.891739 (E_RNA) where: Base-Base interactions energy: -976.611 where: short stacking energy: -412.112 Base-Backbone interact. energy: -2.319 local terms energy: -488.961112 where: bonds (distance) C4'-P energy: -107.234 bonds (distance) P-C4' energy: -85.157 flat angles C4'-P-C4' energy: -102.116 flat angles P-C4'-P energy: -67.336 tors. eta vs tors. theta energy: -127.117 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: 5 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1434.974576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.974576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.974576 (E_RNA) where: Base-Base interactions energy: -988.081 where: short stacking energy: -405.198 Base-Backbone interact. energy: -0.852 local terms energy: -446.041194 where: bonds (distance) C4'-P energy: -77.392 bonds (distance) P-C4' energy: -85.634 flat angles C4'-P-C4' energy: -99.134 flat angles P-C4'-P energy: -67.422 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: 8, replica: 6 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1279.641800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.641800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.641800 (E_RNA) where: Base-Base interactions energy: -875.580 where: short stacking energy: -373.386 Base-Backbone interact. energy: -0.941 local terms energy: -403.121066 where: bonds (distance) C4'-P energy: -62.389 bonds (distance) P-C4' energy: -97.357 flat angles C4'-P-C4' energy: -92.426 flat angles P-C4'-P energy: -49.133 tors. eta vs tors. theta energy: -101.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -1164.290479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.290479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.290479 (E_RNA) where: Base-Base interactions energy: -810.395 where: short stacking energy: -339.730 Base-Backbone interact. energy: 5.231 local terms energy: -359.126821 where: bonds (distance) C4'-P energy: -66.815 bonds (distance) P-C4' energy: -78.521 flat angles C4'-P-C4' energy: -84.464 flat angles P-C4'-P energy: -44.066 tors. eta vs tors. theta energy: -85.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -1128.674661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.674661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.674661 (E_RNA) where: Base-Base interactions energy: -771.379 where: short stacking energy: -324.682 Base-Backbone interact. energy: -1.477 local terms energy: -355.818988 where: bonds (distance) C4'-P energy: -67.128 bonds (distance) P-C4' energy: -86.350 flat angles C4'-P-C4' energy: -79.535 flat angles P-C4'-P energy: -46.054 tors. eta vs tors. theta energy: -76.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1910.211118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.211118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.211118 (E_RNA) where: Base-Base interactions energy: -1370.705 where: short stacking energy: -552.942 Base-Backbone interact. energy: -1.572 local terms energy: -537.933963 where: bonds (distance) C4'-P energy: -92.195 bonds (distance) P-C4' energy: -88.953 flat angles C4'-P-C4' energy: -112.937 flat angles P-C4'-P energy: -70.574 tors. eta vs tors. theta energy: -173.275 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: 372 Temperature: 0.950000 Total energy: -1832.334174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.334174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.334174 (E_RNA) where: Base-Base interactions energy: -1300.616 where: short stacking energy: -512.836 Base-Backbone interact. energy: 1.742 local terms energy: -533.459549 where: bonds (distance) C4'-P energy: -90.046 bonds (distance) P-C4' energy: -96.973 flat angles C4'-P-C4' energy: -106.467 flat angles P-C4'-P energy: -78.971 tors. eta vs tors. theta energy: -161.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1805.174795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.174795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.174795 (E_RNA) where: Base-Base interactions energy: -1260.030 where: short stacking energy: -516.150 Base-Backbone interact. energy: 0.374 local terms energy: -545.519468 where: bonds (distance) C4'-P energy: -102.329 bonds (distance) P-C4' energy: -90.377 flat angles C4'-P-C4' energy: -111.548 flat angles P-C4'-P energy: -71.995 tors. eta vs tors. theta energy: -169.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1694.390468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.390468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.390468 (E_RNA) where: Base-Base interactions energy: -1188.606 where: short stacking energy: -485.568 Base-Backbone interact. energy: -0.345 local terms energy: -505.439711 where: bonds (distance) C4'-P energy: -82.033 bonds (distance) P-C4' energy: -89.747 flat angles C4'-P-C4' energy: -105.042 flat angles P-C4'-P energy: -75.393 tors. eta vs tors. theta energy: -153.225 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: 5, replica: 8 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -1574.938104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.938104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.938104 (E_RNA) where: Base-Base interactions energy: -1104.906 where: short stacking energy: -431.512 Base-Backbone interact. energy: -2.383 local terms energy: -467.649109 where: bonds (distance) C4'-P energy: -78.626 bonds (distance) P-C4' energy: -84.833 flat angles C4'-P-C4' energy: -93.940 flat angles P-C4'-P energy: -75.822 tors. eta vs tors. theta energy: -134.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1464.064484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.064484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.064484 (E_RNA) where: Base-Base interactions energy: -977.349 where: short stacking energy: -405.874 Base-Backbone interact. energy: -1.281 local terms energy: -485.434421 where: bonds (distance) C4'-P energy: -83.847 bonds (distance) P-C4' energy: -101.048 flat angles C4'-P-C4' energy: -113.000 flat angles P-C4'-P energy: -64.913 tors. eta vs tors. theta energy: -122.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1434.637605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.637605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.637605 (E_RNA) where: Base-Base interactions energy: -1007.941 where: short stacking energy: -387.339 Base-Backbone interact. energy: 0.403 local terms energy: -427.099755 where: bonds (distance) C4'-P energy: -78.816 bonds (distance) P-C4' energy: -77.760 flat angles C4'-P-C4' energy: -101.065 flat angles P-C4'-P energy: -57.359 tors. eta vs tors. theta energy: -112.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1289.439889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.439889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.439889 (E_RNA) where: Base-Base interactions energy: -883.664 where: short stacking energy: -360.338 Base-Backbone interact. energy: 1.101 local terms energy: -406.877030 where: bonds (distance) C4'-P energy: -75.028 bonds (distance) P-C4' energy: -79.098 flat angles C4'-P-C4' energy: -85.451 flat angles P-C4'-P energy: -66.850 tors. eta vs tors. theta energy: -100.450 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: 2 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -1176.916181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.916181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.916181 (E_RNA) where: Base-Base interactions energy: -797.552 where: short stacking energy: -335.645 Base-Backbone interact. energy: -0.885 local terms energy: -378.479681 where: bonds (distance) C4'-P energy: -77.702 bonds (distance) P-C4' energy: -85.784 flat angles C4'-P-C4' energy: -74.757 flat angles P-C4'-P energy: -58.485 tors. eta vs tors. theta energy: -81.751 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: 10, replica: 7 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -1083.827331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.827331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.827331 (E_RNA) where: Base-Base interactions energy: -712.735 where: short stacking energy: -292.382 Base-Backbone interact. energy: -2.237 local terms energy: -368.855490 where: bonds (distance) C4'-P energy: -62.337 bonds (distance) P-C4' energy: -86.426 flat angles C4'-P-C4' energy: -84.720 flat angles P-C4'-P energy: -52.465 tors. eta vs tors. theta energy: -82.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1907.157511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.157511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.157511 (E_RNA) where: Base-Base interactions energy: -1349.311 where: short stacking energy: -542.609 Base-Backbone interact. energy: -0.048 local terms energy: -557.798297 where: bonds (distance) C4'-P energy: -97.074 bonds (distance) P-C4' energy: -102.806 flat angles C4'-P-C4' energy: -114.783 flat angles P-C4'-P energy: -75.904 tors. eta vs tors. theta energy: -167.232 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: 9 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1842.360444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.360444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.360444 (E_RNA) where: Base-Base interactions energy: -1314.724 where: short stacking energy: -516.285 Base-Backbone interact. energy: -1.367 local terms energy: -526.269385 where: bonds (distance) C4'-P energy: -87.102 bonds (distance) P-C4' energy: -94.353 flat angles C4'-P-C4' energy: -107.519 flat angles P-C4'-P energy: -74.336 tors. eta vs tors. theta energy: -162.959 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: 3 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1790.474044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.474044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.474044 (E_RNA) where: Base-Base interactions energy: -1247.726 where: short stacking energy: -504.413 Base-Backbone interact. energy: -0.980 local terms energy: -541.768619 where: bonds (distance) C4'-P energy: -88.322 bonds (distance) P-C4' energy: -104.820 flat angles C4'-P-C4' energy: -115.216 flat angles P-C4'-P energy: -74.685 tors. eta vs tors. theta energy: -158.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -1695.496788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.496788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.496788 (E_RNA) where: Base-Base interactions energy: -1180.232 where: short stacking energy: -482.700 Base-Backbone interact. energy: 3.576 local terms energy: -518.840188 where: bonds (distance) C4'-P energy: -80.967 bonds (distance) P-C4' energy: -97.146 flat angles C4'-P-C4' energy: -103.481 flat angles P-C4'-P energy: -75.466 tors. eta vs tors. theta energy: -161.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -1604.073071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.073071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.073071 (E_RNA) where: Base-Base interactions energy: -1120.154 where: short stacking energy: -449.029 Base-Backbone interact. energy: 0.585 local terms energy: -484.503297 where: bonds (distance) C4'-P energy: -88.810 bonds (distance) P-C4' energy: -78.012 flat angles C4'-P-C4' energy: -113.085 flat angles P-C4'-P energy: -69.210 tors. eta vs tors. theta energy: -135.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -1458.182129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.182129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.182129 (E_RNA) where: Base-Base interactions energy: -1017.431 where: short stacking energy: -412.278 Base-Backbone interact. energy: 0.605 local terms energy: -441.355637 where: bonds (distance) C4'-P energy: -75.653 bonds (distance) P-C4' energy: -83.823 flat angles C4'-P-C4' energy: -97.219 flat angles P-C4'-P energy: -67.677 tors. eta vs tors. theta energy: -116.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1410.190897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.190897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.190897 (E_RNA) where: Base-Base interactions energy: -968.830 where: short stacking energy: -395.307 Base-Backbone interact. energy: 0.632 local terms energy: -441.992869 where: bonds (distance) C4'-P energy: -83.060 bonds (distance) P-C4' energy: -86.747 flat angles C4'-P-C4' energy: -90.085 flat angles P-C4'-P energy: -61.959 tors. eta vs tors. theta energy: -120.142 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: 8, replica: 2 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1218.408971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.408971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.408971 (E_RNA) where: Base-Base interactions energy: -836.742 where: short stacking energy: -354.262 Base-Backbone interact. energy: 1.228 local terms energy: -382.894760 where: bonds (distance) C4'-P energy: -77.924 bonds (distance) P-C4' energy: -69.078 flat angles C4'-P-C4' energy: -88.170 flat angles P-C4'-P energy: -53.412 tors. eta vs tors. theta energy: -94.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -1237.900753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.900753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.900753 (E_RNA) where: Base-Base interactions energy: -832.051 where: short stacking energy: -348.600 Base-Backbone interact. energy: 1.234 local terms energy: -407.083892 where: bonds (distance) C4'-P energy: -80.965 bonds (distance) P-C4' energy: -92.180 flat angles C4'-P-C4' energy: -90.741 flat angles P-C4'-P energy: -46.248 tors. eta vs tors. theta energy: -96.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -1003.055490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.055490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.055490 (E_RNA) where: Base-Base interactions energy: -664.931 where: short stacking energy: -293.311 Base-Backbone interact. energy: 0.323 local terms energy: -338.447406 where: bonds (distance) C4'-P energy: -77.945 bonds (distance) P-C4' energy: -82.298 flat angles C4'-P-C4' energy: -69.498 flat angles P-C4'-P energy: -45.612 tors. eta vs tors. theta energy: -63.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1913.167326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.167326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.167326 (E_RNA) where: Base-Base interactions energy: -1355.160 where: short stacking energy: -546.927 Base-Backbone interact. energy: -2.772 local terms energy: -555.235061 where: bonds (distance) C4'-P energy: -96.531 bonds (distance) P-C4' energy: -103.194 flat angles C4'-P-C4' energy: -118.575 flat angles P-C4'-P energy: -72.750 tors. eta vs tors. theta energy: -164.184 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: 9 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1831.066365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.066365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.066365 (E_RNA) where: Base-Base interactions energy: -1289.197 where: short stacking energy: -509.242 Base-Backbone interact. energy: -0.923 local terms energy: -540.946329 where: bonds (distance) C4'-P energy: -95.837 bonds (distance) P-C4' energy: -105.912 flat angles C4'-P-C4' energy: -109.687 flat angles P-C4'-P energy: -73.515 tors. eta vs tors. theta energy: -155.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1779.006511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.006511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.006511 (E_RNA) where: Base-Base interactions energy: -1243.205 where: short stacking energy: -510.550 Base-Backbone interact. energy: 0.042 local terms energy: -535.843597 where: bonds (distance) C4'-P energy: -89.168 bonds (distance) P-C4' energy: -95.484 flat angles C4'-P-C4' energy: -111.012 flat angles P-C4'-P energy: -75.094 tors. eta vs tors. theta energy: -165.086 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: 1 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -1718.298123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.298123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.298123 (E_RNA) where: Base-Base interactions energy: -1199.424 where: short stacking energy: -504.249 Base-Backbone interact. energy: -3.027 local terms energy: -515.846288 where: bonds (distance) C4'-P energy: -87.750 bonds (distance) P-C4' energy: -82.795 flat angles C4'-P-C4' energy: -112.151 flat angles P-C4'-P energy: -68.408 tors. eta vs tors. theta energy: -164.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -1600.597155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.597155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.597155 (E_RNA) where: Base-Base interactions energy: -1120.742 where: short stacking energy: -455.841 Base-Backbone interact. energy: -1.196 local terms energy: -478.659682 where: bonds (distance) C4'-P energy: -93.057 bonds (distance) P-C4' energy: -70.522 flat angles C4'-P-C4' energy: -105.668 flat angles P-C4'-P energy: -68.570 tors. eta vs tors. theta energy: -140.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -1426.312894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.312894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.312894 (E_RNA) where: Base-Base interactions energy: -973.746 where: short stacking energy: -402.704 Base-Backbone interact. energy: 1.403 local terms energy: -453.970362 where: bonds (distance) C4'-P energy: -83.023 bonds (distance) P-C4' energy: -87.349 flat angles C4'-P-C4' energy: -98.915 flat angles P-C4'-P energy: -55.885 tors. eta vs tors. theta energy: -128.799 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: 10 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1398.965141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.965141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.965141 (E_RNA) where: Base-Base interactions energy: -979.358 where: short stacking energy: -414.824 Base-Backbone interact. energy: -3.141 local terms energy: -416.466121 where: bonds (distance) C4'-P energy: -77.248 bonds (distance) P-C4' energy: -75.780 flat angles C4'-P-C4' energy: -95.139 flat angles P-C4'-P energy: -57.052 tors. eta vs tors. theta energy: -111.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1222.375453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.375453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.375453 (E_RNA) where: Base-Base interactions energy: -836.869 where: short stacking energy: -346.036 Base-Backbone interact. energy: -1.705 local terms energy: -383.801190 where: bonds (distance) C4'-P energy: -78.064 bonds (distance) P-C4' energy: -86.825 flat angles C4'-P-C4' energy: -89.662 flat angles P-C4'-P energy: -49.675 tors. eta vs tors. theta energy: -79.576 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: 6 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -1235.948195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.948195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.948195 (E_RNA) where: Base-Base interactions energy: -842.253 where: short stacking energy: -355.318 Base-Backbone interact. energy: 0.485 local terms energy: -394.180777 where: bonds (distance) C4'-P energy: -71.931 bonds (distance) P-C4' energy: -75.176 flat angles C4'-P-C4' energy: -89.157 flat angles P-C4'-P energy: -64.803 tors. eta vs tors. theta energy: -93.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -959.097083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.097083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.097083 (E_RNA) where: Base-Base interactions energy: -618.656 where: short stacking energy: -258.576 Base-Backbone interact. energy: -1.556 local terms energy: -338.885177 where: bonds (distance) C4'-P energy: -83.787 bonds (distance) P-C4' energy: -69.987 flat angles C4'-P-C4' energy: -83.393 flat angles P-C4'-P energy: -55.149 tors. eta vs tors. theta energy: -46.569 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: 4 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1906.023794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.023794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.023794 (E_RNA) where: Base-Base interactions energy: -1354.105 where: short stacking energy: -549.722 Base-Backbone interact. energy: 0.365 local terms energy: -552.283917 where: bonds (distance) C4'-P energy: -98.792 bonds (distance) P-C4' energy: -85.271 flat angles C4'-P-C4' energy: -113.966 flat angles P-C4'-P energy: -80.363 tors. eta vs tors. theta energy: -173.892 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: 3 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1817.177136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.177136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.177136 (E_RNA) where: Base-Base interactions energy: -1276.390 where: short stacking energy: -540.541 Base-Backbone interact. energy: -1.924 local terms energy: -538.863547 where: bonds (distance) C4'-P energy: -104.619 bonds (distance) P-C4' energy: -82.706 flat angles C4'-P-C4' energy: -107.770 flat angles P-C4'-P energy: -74.454 tors. eta vs tors. theta energy: -169.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1788.503677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.503677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.503677 (E_RNA) where: Base-Base interactions energy: -1284.869 where: short stacking energy: -509.820 Base-Backbone interact. energy: 1.157 local terms energy: -504.792173 where: bonds (distance) C4'-P energy: -85.384 bonds (distance) P-C4' energy: -86.349 flat angles C4'-P-C4' energy: -110.857 flat angles P-C4'-P energy: -74.633 tors. eta vs tors. theta energy: -147.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1714.888332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.888332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.888332 (E_RNA) where: Base-Base interactions energy: -1180.417 where: short stacking energy: -486.232 Base-Backbone interact. energy: -3.703 local terms energy: -530.768021 where: bonds (distance) C4'-P energy: -93.591 bonds (distance) P-C4' energy: -96.992 flat angles C4'-P-C4' energy: -106.698 flat angles P-C4'-P energy: -75.911 tors. eta vs tors. theta energy: -157.576 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: 5, replica: 8 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -1582.420842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.420842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.420842 (E_RNA) where: Base-Base interactions energy: -1097.786 where: short stacking energy: -456.194 Base-Backbone interact. energy: 3.077 local terms energy: -487.711755 where: bonds (distance) C4'-P energy: -87.148 bonds (distance) P-C4' energy: -79.752 flat angles C4'-P-C4' energy: -99.661 flat angles P-C4'-P energy: -77.058 tors. eta vs tors. theta energy: -144.094 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: 10 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1437.714592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.714592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.714592 (E_RNA) where: Base-Base interactions energy: -998.201 where: short stacking energy: -416.259 Base-Backbone interact. energy: -1.658 local terms energy: -437.855025 where: bonds (distance) C4'-P energy: -76.930 bonds (distance) P-C4' energy: -86.508 flat angles C4'-P-C4' energy: -90.144 flat angles P-C4'-P energy: -64.713 tors. eta vs tors. theta energy: -119.561 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: 5 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1414.133498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.133498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.133498 (E_RNA) where: Base-Base interactions energy: -968.190 where: short stacking energy: -397.397 Base-Backbone interact. energy: 0.364 local terms energy: -446.307479 where: bonds (distance) C4'-P energy: -92.656 bonds (distance) P-C4' energy: -76.663 flat angles C4'-P-C4' energy: -99.903 flat angles P-C4'-P energy: -59.828 tors. eta vs tors. theta energy: -117.257 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: 6 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1275.011708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.011708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.011708 (E_RNA) where: Base-Base interactions energy: -873.425 where: short stacking energy: -375.826 Base-Backbone interact. energy: 1.944 local terms energy: -403.530842 where: bonds (distance) C4'-P energy: -74.227 bonds (distance) P-C4' energy: -72.750 flat angles C4'-P-C4' energy: -93.460 flat angles P-C4'-P energy: -53.449 tors. eta vs tors. theta energy: -109.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -1235.259859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.259859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.259859 (E_RNA) where: Base-Base interactions energy: -829.032 where: short stacking energy: -347.630 Base-Backbone interact. energy: -2.210 local terms energy: -404.017663 where: bonds (distance) C4'-P energy: -73.752 bonds (distance) P-C4' energy: -87.485 flat angles C4'-P-C4' energy: -85.174 flat angles P-C4'-P energy: -51.455 tors. eta vs tors. theta energy: -106.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -960.723498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.723498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.723498 (E_RNA) where: Base-Base interactions energy: -650.568 where: short stacking energy: -259.837 Base-Backbone interact. energy: 0.382 local terms energy: -310.537013 where: bonds (distance) C4'-P energy: -73.326 bonds (distance) P-C4' energy: -83.037 flat angles C4'-P-C4' energy: -67.627 flat angles P-C4'-P energy: -42.720 tors. eta vs tors. theta energy: -43.826 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: 4 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1919.870592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.870592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.870592 (E_RNA) where: Base-Base interactions energy: -1362.895 where: short stacking energy: -542.603 Base-Backbone interact. energy: -0.881 local terms energy: -556.094777 where: bonds (distance) C4'-P energy: -100.095 bonds (distance) P-C4' energy: -98.730 flat angles C4'-P-C4' energy: -113.336 flat angles P-C4'-P energy: -76.067 tors. eta vs tors. theta energy: -167.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1822.250975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.250975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.250975 (E_RNA) where: Base-Base interactions energy: -1258.286 where: short stacking energy: -522.463 Base-Backbone interact. energy: -1.961 local terms energy: -562.003908 where: bonds (distance) C4'-P energy: -97.374 bonds (distance) P-C4' energy: -90.321 flat angles C4'-P-C4' energy: -121.134 flat angles P-C4'-P energy: -84.943 tors. eta vs tors. theta energy: -168.232 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: 9 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1800.112880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.112880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.112880 (E_RNA) where: Base-Base interactions energy: -1272.958 where: short stacking energy: -505.367 Base-Backbone interact. energy: 0.111 local terms energy: -527.266049 where: bonds (distance) C4'-P energy: -98.539 bonds (distance) P-C4' energy: -90.746 flat angles C4'-P-C4' energy: -112.212 flat angles P-C4'-P energy: -69.008 tors. eta vs tors. theta energy: -156.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1719.276045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.276045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.276045 (E_RNA) where: Base-Base interactions energy: -1205.085 where: short stacking energy: -494.931 Base-Backbone interact. energy: -2.478 local terms energy: -511.713261 where: bonds (distance) C4'-P energy: -76.811 bonds (distance) P-C4' energy: -99.774 flat angles C4'-P-C4' energy: -106.941 flat angles P-C4'-P energy: -65.296 tors. eta vs tors. theta energy: -162.891 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: 8 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -1628.096061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.096061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.096061 (E_RNA) where: Base-Base interactions energy: -1137.558 where: short stacking energy: -454.619 Base-Backbone interact. energy: -1.126 local terms energy: -489.411690 where: bonds (distance) C4'-P energy: -91.791 bonds (distance) P-C4' energy: -89.750 flat angles C4'-P-C4' energy: -98.912 flat angles P-C4'-P energy: -67.642 tors. eta vs tors. theta energy: -141.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1405.812154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.812154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.812154 (E_RNA) where: Base-Base interactions energy: -959.699 where: short stacking energy: -388.124 Base-Backbone interact. energy: -0.997 local terms energy: -445.115489 where: bonds (distance) C4'-P energy: -72.186 bonds (distance) P-C4' energy: -89.400 flat angles C4'-P-C4' energy: -107.281 flat angles P-C4'-P energy: -60.501 tors. eta vs tors. theta energy: -115.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1429.778102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.778102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.778102 (E_RNA) where: Base-Base interactions energy: -991.876 where: short stacking energy: -391.762 Base-Backbone interact. energy: -1.741 local terms energy: -436.160963 where: bonds (distance) C4'-P energy: -80.333 bonds (distance) P-C4' energy: -89.085 flat angles C4'-P-C4' energy: -105.345 flat angles P-C4'-P energy: -54.198 tors. eta vs tors. theta energy: -107.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1263.556697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.556697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.556697 (E_RNA) where: Base-Base interactions energy: -869.608 where: short stacking energy: -360.780 Base-Backbone interact. energy: -1.826 local terms energy: -392.123001 where: bonds (distance) C4'-P energy: -88.401 bonds (distance) P-C4' energy: -79.260 flat angles C4'-P-C4' energy: -88.536 flat angles P-C4'-P energy: -44.815 tors. eta vs tors. theta energy: -91.111 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: 2 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -1262.186961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.186961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.186961 (E_RNA) where: Base-Base interactions energy: -859.988 where: short stacking energy: -349.008 Base-Backbone interact. energy: -1.797 local terms energy: -400.402056 where: bonds (distance) C4'-P energy: -71.887 bonds (distance) P-C4' energy: -82.519 flat angles C4'-P-C4' energy: -89.452 flat angles P-C4'-P energy: -52.006 tors. eta vs tors. theta energy: -104.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -966.040319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.040319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.040319 (E_RNA) where: Base-Base interactions energy: -642.070 where: short stacking energy: -259.728 Base-Backbone interact. energy: -3.217 local terms energy: -320.753815 where: bonds (distance) C4'-P energy: -70.006 bonds (distance) P-C4' energy: -68.194 flat angles C4'-P-C4' energy: -70.885 flat angles P-C4'-P energy: -61.780 tors. eta vs tors. theta energy: -49.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1918.898685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.898685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.898685 (E_RNA) where: Base-Base interactions energy: -1357.465 where: short stacking energy: -536.239 Base-Backbone interact. energy: -2.235 local terms energy: -559.198803 where: bonds (distance) C4'-P energy: -88.757 bonds (distance) P-C4' energy: -105.118 flat angles C4'-P-C4' energy: -118.056 flat angles P-C4'-P energy: -78.681 tors. eta vs tors. theta energy: -168.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1814.672727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.672727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.672727 (E_RNA) where: Base-Base interactions energy: -1303.287 where: short stacking energy: -521.216 Base-Backbone interact. energy: 0.662 local terms energy: -512.048126 where: bonds (distance) C4'-P energy: -75.290 bonds (distance) P-C4' energy: -93.400 flat angles C4'-P-C4' energy: -108.169 flat angles P-C4'-P energy: -80.783 tors. eta vs tors. theta energy: -154.406 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: 3 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1775.683471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.683471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.683471 (E_RNA) where: Base-Base interactions energy: -1237.757 where: short stacking energy: -498.603 Base-Backbone interact. energy: -1.056 local terms energy: -536.869998 where: bonds (distance) C4'-P energy: -95.127 bonds (distance) P-C4' energy: -97.091 flat angles C4'-P-C4' energy: -106.873 flat angles P-C4'-P energy: -75.882 tors. eta vs tors. theta energy: -161.898 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: 4, replica: 1 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1714.922676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.922676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.922676 (E_RNA) where: Base-Base interactions energy: -1212.934 where: short stacking energy: -492.517 Base-Backbone interact. energy: 0.881 local terms energy: -502.869677 where: bonds (distance) C4'-P energy: -83.511 bonds (distance) P-C4' energy: -83.795 flat angles C4'-P-C4' energy: -104.967 flat angles P-C4'-P energy: -74.291 tors. eta vs tors. theta energy: -156.305 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: 8 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -1567.735522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.735522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.735522 (E_RNA) where: Base-Base interactions energy: -1079.703 where: short stacking energy: -441.418 Base-Backbone interact. energy: -1.742 local terms energy: -486.290735 where: bonds (distance) C4'-P energy: -86.485 bonds (distance) P-C4' energy: -88.271 flat angles C4'-P-C4' energy: -109.388 flat angles P-C4'-P energy: -68.056 tors. eta vs tors. theta energy: -134.090 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: 6, replica: 5 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1441.921759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.921759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.921759 (E_RNA) where: Base-Base interactions energy: -995.666 where: short stacking energy: -413.997 Base-Backbone interact. energy: -0.715 local terms energy: -445.540712 where: bonds (distance) C4'-P energy: -84.230 bonds (distance) P-C4' energy: -72.521 flat angles C4'-P-C4' energy: -98.857 flat angles P-C4'-P energy: -63.301 tors. eta vs tors. theta energy: -126.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1425.929294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.929294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.929294 (E_RNA) where: Base-Base interactions energy: -975.126 where: short stacking energy: -397.021 Base-Backbone interact. energy: 0.131 local terms energy: -450.934697 where: bonds (distance) C4'-P energy: -93.624 bonds (distance) P-C4' energy: -85.139 flat angles C4'-P-C4' energy: -93.448 flat angles P-C4'-P energy: -65.903 tors. eta vs tors. theta energy: -112.821 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: 8, replica: 6 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1291.270484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.270484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.270484 (E_RNA) where: Base-Base interactions energy: -870.092 where: short stacking energy: -369.112 Base-Backbone interact. energy: -0.212 local terms energy: -420.966875 where: bonds (distance) C4'-P energy: -72.519 bonds (distance) P-C4' energy: -81.163 flat angles C4'-P-C4' energy: -90.840 flat angles P-C4'-P energy: -57.657 tors. eta vs tors. theta energy: -118.788 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: 2 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -1258.297407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.297407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.297407 (E_RNA) where: Base-Base interactions energy: -848.268 where: short stacking energy: -353.445 Base-Backbone interact. energy: -0.146 local terms energy: -409.883541 where: bonds (distance) C4'-P energy: -64.285 bonds (distance) P-C4' energy: -89.696 flat angles C4'-P-C4' energy: -93.279 flat angles P-C4'-P energy: -59.661 tors. eta vs tors. theta energy: -102.962 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: 377 Temperature: 1.350000 Total energy: -987.472319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.472319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.472319 (E_RNA) where: Base-Base interactions energy: -665.290 where: short stacking energy: -280.940 Base-Backbone interact. energy: 4.517 local terms energy: -326.699182 where: bonds (distance) C4'-P energy: -80.749 bonds (distance) P-C4' energy: -73.009 flat angles C4'-P-C4' energy: -73.992 flat angles P-C4'-P energy: -41.343 tors. eta vs tors. theta energy: -57.606 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: 1, replica: 4 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1908.377448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.377448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.377448 (E_RNA) where: Base-Base interactions energy: -1375.106 where: short stacking energy: -551.036 Base-Backbone interact. energy: -2.812 local terms energy: -530.459319 where: bonds (distance) C4'-P energy: -78.553 bonds (distance) P-C4' energy: -87.148 flat angles C4'-P-C4' energy: -115.859 flat angles P-C4'-P energy: -82.542 tors. eta vs tors. theta energy: -166.357 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: 9 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1815.767146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.767146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.767146 (E_RNA) where: Base-Base interactions energy: -1304.851 where: short stacking energy: -494.256 Base-Backbone interact. energy: 1.098 local terms energy: -512.014158 where: bonds (distance) C4'-P energy: -92.605 bonds (distance) P-C4' energy: -84.373 flat angles C4'-P-C4' energy: -106.440 flat angles P-C4'-P energy: -77.413 tors. eta vs tors. theta energy: -151.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1774.339024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.339024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.339024 (E_RNA) where: Base-Base interactions energy: -1259.362 where: short stacking energy: -525.979 Base-Backbone interact. energy: -1.994 local terms energy: -512.982811 where: bonds (distance) C4'-P energy: -79.584 bonds (distance) P-C4' energy: -81.465 flat angles C4'-P-C4' energy: -105.005 flat angles P-C4'-P energy: -82.417 tors. eta vs tors. theta energy: -164.511 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: 1 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1693.836663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.836663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.836663 (E_RNA) where: Base-Base interactions energy: -1182.103 where: short stacking energy: -473.765 Base-Backbone interact. energy: -3.266 local terms energy: -508.467701 where: bonds (distance) C4'-P energy: -88.472 bonds (distance) P-C4' energy: -94.663 flat angles C4'-P-C4' energy: -95.681 flat angles P-C4'-P energy: -77.329 tors. eta vs tors. theta energy: -152.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1573.090052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.090052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.090052 (E_RNA) where: Base-Base interactions energy: -1108.268 where: short stacking energy: -443.495 Base-Backbone interact. energy: -1.742 local terms energy: -463.080336 where: bonds (distance) C4'-P energy: -82.417 bonds (distance) P-C4' energy: -80.117 flat angles C4'-P-C4' energy: -100.333 flat angles P-C4'-P energy: -61.050 tors. eta vs tors. theta energy: -139.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1447.574800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.574800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.574800 (E_RNA) where: Base-Base interactions energy: -1004.709 where: short stacking energy: -396.657 Base-Backbone interact. energy: -0.321 local terms energy: -442.544439 where: bonds (distance) C4'-P energy: -88.367 bonds (distance) P-C4' energy: -81.676 flat angles C4'-P-C4' energy: -90.658 flat angles P-C4'-P energy: -60.392 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: 7, replica: 10 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1396.009381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.009381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.009381 (E_RNA) where: Base-Base interactions energy: -955.800 where: short stacking energy: -403.767 Base-Backbone interact. energy: 0.216 local terms energy: -440.425849 where: bonds (distance) C4'-P energy: -74.895 bonds (distance) P-C4' energy: -89.492 flat angles C4'-P-C4' energy: -99.603 flat angles P-C4'-P energy: -61.345 tors. eta vs tors. theta energy: -115.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1280.281620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.281620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.281620 (E_RNA) where: Base-Base interactions energy: -855.153 where: short stacking energy: -363.572 Base-Backbone interact. energy: -0.376 local terms energy: -424.752722 where: bonds (distance) C4'-P energy: -91.921 bonds (distance) P-C4' energy: -91.049 flat angles C4'-P-C4' energy: -89.291 flat angles P-C4'-P energy: -54.621 tors. eta vs tors. theta energy: -97.870 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: 9, replica: 2 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -1217.709494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.709494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.709494 (E_RNA) where: Base-Base interactions energy: -837.159 where: short stacking energy: -340.890 Base-Backbone interact. energy: 1.280 local terms energy: -381.830425 where: bonds (distance) C4'-P energy: -79.633 bonds (distance) P-C4' energy: -80.527 flat angles C4'-P-C4' energy: -89.965 flat angles P-C4'-P energy: -43.667 tors. eta vs tors. theta energy: -88.039 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: 378 Temperature: 1.350000 Total energy: -1016.480331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.480331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.480331 (E_RNA) where: Base-Base interactions energy: -647.770 where: short stacking energy: -265.186 Base-Backbone interact. energy: -0.536 local terms energy: -368.174563 where: bonds (distance) C4'-P energy: -83.200 bonds (distance) P-C4' energy: -79.196 flat angles C4'-P-C4' energy: -85.078 flat angles P-C4'-P energy: -54.319 tors. eta vs tors. theta energy: -66.382 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: 1, replica: 4 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1903.551777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.551777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.551777 (E_RNA) where: Base-Base interactions energy: -1357.075 where: short stacking energy: -546.420 Base-Backbone interact. energy: -0.941 local terms energy: -545.535749 where: bonds (distance) C4'-P energy: -98.892 bonds (distance) P-C4' energy: -94.592 flat angles C4'-P-C4' energy: -114.719 flat angles P-C4'-P energy: -70.301 tors. eta vs tors. theta energy: -167.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1857.595216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.595216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.595216 (E_RNA) where: Base-Base interactions energy: -1312.280 where: short stacking energy: -527.496 Base-Backbone interact. energy: 0.018 local terms energy: -545.333167 where: bonds (distance) C4'-P energy: -102.828 bonds (distance) P-C4' energy: -100.313 flat angles C4'-P-C4' energy: -106.789 flat angles P-C4'-P energy: -81.931 tors. eta vs tors. theta energy: -153.472 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: 3 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1785.605895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.605895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.605895 (E_RNA) where: Base-Base interactions energy: -1245.608 where: short stacking energy: -513.508 Base-Backbone interact. energy: -0.802 local terms energy: -539.195581 where: bonds (distance) C4'-P energy: -100.738 bonds (distance) P-C4' energy: -97.803 flat angles C4'-P-C4' energy: -106.551 flat angles P-C4'-P energy: -75.788 tors. eta vs tors. theta energy: -158.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1704.048068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.048068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.048068 (E_RNA) where: Base-Base interactions energy: -1193.000 where: short stacking energy: -486.662 Base-Backbone interact. energy: -1.746 local terms energy: -509.302543 where: bonds (distance) C4'-P energy: -98.723 bonds (distance) P-C4' energy: -90.997 flat angles C4'-P-C4' energy: -90.544 flat angles P-C4'-P energy: -73.704 tors. eta vs tors. theta energy: -155.334 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: 8 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -1603.843801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.843801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.843801 (E_RNA) where: Base-Base interactions energy: -1106.067 where: short stacking energy: -452.370 Base-Backbone interact. energy: 2.186 local terms energy: -499.962803 where: bonds (distance) C4'-P energy: -87.336 bonds (distance) P-C4' energy: -89.221 flat angles C4'-P-C4' energy: -105.901 flat angles P-C4'-P energy: -72.461 tors. eta vs tors. theta energy: -145.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1458.636779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.636779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.636779 (E_RNA) where: Base-Base interactions energy: -1007.083 where: short stacking energy: -392.736 Base-Backbone interact. energy: -0.613 local terms energy: -450.941483 where: bonds (distance) C4'-P energy: -84.192 bonds (distance) P-C4' energy: -90.137 flat angles C4'-P-C4' energy: -87.903 flat angles P-C4'-P energy: -71.731 tors. eta vs tors. theta energy: -116.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1400.459053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.459053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.459053 (E_RNA) where: Base-Base interactions energy: -960.030 where: short stacking energy: -399.633 Base-Backbone interact. energy: -1.614 local terms energy: -438.815757 where: bonds (distance) C4'-P energy: -70.180 bonds (distance) P-C4' energy: -83.753 flat angles C4'-P-C4' energy: -100.236 flat angles P-C4'-P energy: -65.078 tors. eta vs tors. theta energy: -119.568 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: 6 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1280.064264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.064264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.064264 (E_RNA) where: Base-Base interactions energy: -878.452 where: short stacking energy: -381.781 Base-Backbone interact. energy: -1.171 local terms energy: -400.441184 where: bonds (distance) C4'-P energy: -87.247 bonds (distance) P-C4' energy: -75.028 flat angles C4'-P-C4' energy: -80.377 flat angles P-C4'-P energy: -61.586 tors. eta vs tors. theta energy: -96.202 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: 2 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -1200.169074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.169074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.169074 (E_RNA) where: Base-Base interactions energy: -827.553 where: short stacking energy: -351.060 Base-Backbone interact. energy: 1.289 local terms energy: -373.904520 where: bonds (distance) C4'-P energy: -72.162 bonds (distance) P-C4' energy: -82.375 flat angles C4'-P-C4' energy: -72.229 flat angles P-C4'-P energy: -59.225 tors. eta vs tors. theta energy: -87.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -1000.909028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.909028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.909028 (E_RNA) where: Base-Base interactions energy: -652.928 where: short stacking energy: -267.915 Base-Backbone interact. energy: -0.511 local terms energy: -347.470281 where: bonds (distance) C4'-P energy: -86.868 bonds (distance) P-C4' energy: -83.208 flat angles C4'-P-C4' energy: -76.441 flat angles P-C4'-P energy: -48.298 tors. eta vs tors. theta energy: -52.655 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: 4 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1910.616967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.616967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.616967 (E_RNA) where: Base-Base interactions energy: -1356.929 where: short stacking energy: -545.580 Base-Backbone interact. energy: -1.365 local terms energy: -552.322807 where: bonds (distance) C4'-P energy: -94.802 bonds (distance) P-C4' energy: -87.169 flat angles C4'-P-C4' energy: -115.258 flat angles P-C4'-P energy: -82.885 tors. eta vs tors. theta energy: -172.209 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: 9 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1854.788235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.788235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.788235 (E_RNA) where: Base-Base interactions energy: -1312.142 where: short stacking energy: -504.386 Base-Backbone interact. energy: -2.386 local terms energy: -540.260346 where: bonds (distance) C4'-P energy: -96.189 bonds (distance) P-C4' energy: -98.012 flat angles C4'-P-C4' energy: -105.677 flat angles P-C4'-P energy: -82.920 tors. eta vs tors. theta energy: -157.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1778.285227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.285227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.285227 (E_RNA) where: Base-Base interactions energy: -1246.071 where: short stacking energy: -516.959 Base-Backbone interact. energy: -0.956 local terms energy: -531.257958 where: bonds (distance) C4'-P energy: -76.961 bonds (distance) P-C4' energy: -91.172 flat angles C4'-P-C4' energy: -107.974 flat angles P-C4'-P energy: -87.631 tors. eta vs tors. theta energy: -167.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1687.914178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.914178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.914178 (E_RNA) where: Base-Base interactions energy: -1175.113 where: short stacking energy: -470.956 Base-Backbone interact. energy: -0.059 local terms energy: -512.742466 where: bonds (distance) C4'-P energy: -93.521 bonds (distance) P-C4' energy: -95.280 flat angles C4'-P-C4' energy: -103.857 flat angles P-C4'-P energy: -77.050 tors. eta vs tors. theta energy: -143.034 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: 8 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -1547.143153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.143153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.143153 (E_RNA) where: Base-Base interactions energy: -1064.322 where: short stacking energy: -421.139 Base-Backbone interact. energy: -1.029 local terms energy: -481.792661 where: bonds (distance) C4'-P energy: -98.561 bonds (distance) P-C4' energy: -79.750 flat angles C4'-P-C4' energy: -102.168 flat angles P-C4'-P energy: -67.546 tors. eta vs tors. theta energy: -133.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1448.143331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.143331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.143331 (E_RNA) where: Base-Base interactions energy: -1011.009 where: short stacking energy: -419.197 Base-Backbone interact. energy: 0.956 local terms energy: -438.090446 where: bonds (distance) C4'-P energy: -83.208 bonds (distance) P-C4' energy: -86.072 flat angles C4'-P-C4' energy: -105.635 flat angles P-C4'-P energy: -52.343 tors. eta vs tors. theta energy: -110.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1310.729475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.729475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.729475 (E_RNA) where: Base-Base interactions energy: -916.848 where: short stacking energy: -385.176 Base-Backbone interact. energy: -1.922 local terms energy: -391.959479 where: bonds (distance) C4'-P energy: -62.901 bonds (distance) P-C4' energy: -75.607 flat angles C4'-P-C4' energy: -88.610 flat angles P-C4'-P energy: -70.485 tors. eta vs tors. theta energy: -94.356 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: 380 Temperature: 1.250000 Total energy: -1254.031652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.031652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.031652 (E_RNA) where: Base-Base interactions energy: -873.673 where: short stacking energy: -371.425 Base-Backbone interact. energy: -0.406 local terms energy: -379.952361 where: bonds (distance) C4'-P energy: -71.708 bonds (distance) P-C4' energy: -67.207 flat angles C4'-P-C4' energy: -99.178 flat angles P-C4'-P energy: -44.121 tors. eta vs tors. theta energy: -97.738 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: 2 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -1152.399146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.399146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.399146 (E_RNA) where: Base-Base interactions energy: -774.230 where: short stacking energy: -335.414 Base-Backbone interact. energy: 2.560 local terms energy: -380.728565 where: bonds (distance) C4'-P energy: -76.591 bonds (distance) P-C4' energy: -92.568 flat angles C4'-P-C4' energy: -80.979 flat angles P-C4'-P energy: -53.725 tors. eta vs tors. theta energy: -76.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -1061.550729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.550729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.550729 (E_RNA) where: Base-Base interactions energy: -696.856 where: short stacking energy: -278.389 Base-Backbone interact. energy: -2.597 local terms energy: -362.098229 where: bonds (distance) C4'-P energy: -88.584 bonds (distance) P-C4' energy: -76.226 flat angles C4'-P-C4' energy: -76.404 flat angles P-C4'-P energy: -53.981 tors. eta vs tors. theta energy: -66.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1911.398653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.398653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.398653 (E_RNA) where: Base-Base interactions energy: -1357.832 where: short stacking energy: -549.126 Base-Backbone interact. energy: -2.133 local terms energy: -551.433473 where: bonds (distance) C4'-P energy: -97.711 bonds (distance) P-C4' energy: -95.336 flat angles C4'-P-C4' energy: -114.703 flat angles P-C4'-P energy: -78.273 tors. eta vs tors. theta energy: -165.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1858.032690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.032690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.032690 (E_RNA) where: Base-Base interactions energy: -1330.029 where: short stacking energy: -520.446 Base-Backbone interact. energy: 0.581 local terms energy: -528.584651 where: bonds (distance) C4'-P energy: -92.683 bonds (distance) P-C4' energy: -97.027 flat angles C4'-P-C4' energy: -106.995 flat angles P-C4'-P energy: -69.487 tors. eta vs tors. theta energy: -162.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1757.935165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.935165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.935165 (E_RNA) where: Base-Base interactions energy: -1218.107 where: short stacking energy: -498.671 Base-Backbone interact. energy: 1.841 local terms energy: -541.669350 where: bonds (distance) C4'-P energy: -103.725 bonds (distance) P-C4' energy: -94.433 flat angles C4'-P-C4' energy: -112.196 flat angles P-C4'-P energy: -65.748 tors. eta vs tors. theta energy: -165.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1693.969582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.969582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.969582 (E_RNA) where: Base-Base interactions energy: -1182.831 where: short stacking energy: -475.506 Base-Backbone interact. energy: -0.911 local terms energy: -510.227934 where: bonds (distance) C4'-P energy: -91.008 bonds (distance) P-C4' energy: -90.795 flat angles C4'-P-C4' energy: -103.411 flat angles P-C4'-P energy: -66.667 tors. eta vs tors. theta energy: -158.347 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: 8 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -1587.432913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.432913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.432913 (E_RNA) where: Base-Base interactions energy: -1104.319 where: short stacking energy: -478.805 Base-Backbone interact. energy: -0.309 local terms energy: -482.804868 where: bonds (distance) C4'-P energy: -94.532 bonds (distance) P-C4' energy: -73.769 flat angles C4'-P-C4' energy: -109.319 flat angles P-C4'-P energy: -60.161 tors. eta vs tors. theta energy: -145.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1452.372495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.372495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.372495 (E_RNA) where: Base-Base interactions energy: -1010.285 where: short stacking energy: -413.132 Base-Backbone interact. energy: -1.564 local terms energy: -440.524203 where: bonds (distance) C4'-P energy: -73.080 bonds (distance) P-C4' energy: -78.971 flat angles C4'-P-C4' energy: -97.504 flat angles P-C4'-P energy: -56.994 tors. eta vs tors. theta energy: -133.975 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: 381 Temperature: 1.200000 Total energy: -1300.902739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.902739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.902739 (E_RNA) where: Base-Base interactions energy: -887.286 where: short stacking energy: -362.226 Base-Backbone interact. energy: -1.793 local terms energy: -411.824593 where: bonds (distance) C4'-P energy: -82.066 bonds (distance) P-C4' energy: -76.981 flat angles C4'-P-C4' energy: -91.256 flat angles P-C4'-P energy: -55.697 tors. eta vs tors. theta energy: -105.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1301.669366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.669366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.669366 (E_RNA) where: Base-Base interactions energy: -900.987 where: short stacking energy: -343.432 Base-Backbone interact. energy: -1.326 local terms energy: -399.356154 where: bonds (distance) C4'-P energy: -74.296 bonds (distance) P-C4' energy: -73.590 flat angles C4'-P-C4' energy: -90.553 flat angles P-C4'-P energy: -57.830 tors. eta vs tors. theta energy: -103.087 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: 2 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -1149.230978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.230978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.230978 (E_RNA) where: Base-Base interactions energy: -770.130 where: short stacking energy: -327.917 Base-Backbone interact. energy: 1.267 local terms energy: -380.367772 where: bonds (distance) C4'-P energy: -85.792 bonds (distance) P-C4' energy: -85.298 flat angles C4'-P-C4' energy: -76.945 flat angles P-C4'-P energy: -55.031 tors. eta vs tors. theta energy: -77.302 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: 7 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -1088.973079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.973079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.973079 (E_RNA) where: Base-Base interactions energy: -722.931 where: short stacking energy: -311.591 Base-Backbone interact. energy: -0.760 local terms energy: -365.281822 where: bonds (distance) C4'-P energy: -65.796 bonds (distance) P-C4' energy: -72.794 flat angles C4'-P-C4' energy: -91.419 flat angles P-C4'-P energy: -55.124 tors. eta vs tors. theta energy: -80.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1906.874081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.874081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.874081 (E_RNA) where: Base-Base interactions energy: -1350.130 where: short stacking energy: -538.124 Base-Backbone interact. energy: -0.640 local terms energy: -556.103498 where: bonds (distance) C4'-P energy: -108.944 bonds (distance) P-C4' energy: -89.083 flat angles C4'-P-C4' energy: -113.674 flat angles P-C4'-P energy: -81.054 tors. eta vs tors. theta energy: -163.348 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: 9 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1858.612487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.612487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.612487 (E_RNA) where: Base-Base interactions energy: -1326.950 where: short stacking energy: -513.993 Base-Backbone interact. energy: 0.830 local terms energy: -532.493348 where: bonds (distance) C4'-P energy: -96.430 bonds (distance) P-C4' energy: -91.969 flat angles C4'-P-C4' energy: -110.465 flat angles P-C4'-P energy: -75.642 tors. eta vs tors. theta energy: -157.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1750.956385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.956385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.956385 (E_RNA) where: Base-Base interactions energy: -1202.261 where: short stacking energy: -497.315 Base-Backbone interact. energy: 0.152 local terms energy: -548.847744 where: bonds (distance) C4'-P energy: -107.792 bonds (distance) P-C4' energy: -98.641 flat angles C4'-P-C4' energy: -108.373 flat angles P-C4'-P energy: -77.411 tors. eta vs tors. theta energy: -156.630 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: 1 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -1678.589122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.589122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.589122 (E_RNA) where: Base-Base interactions energy: -1186.057 where: short stacking energy: -483.425 Base-Backbone interact. energy: 0.117 local terms energy: -492.648679 where: bonds (distance) C4'-P energy: -83.218 bonds (distance) P-C4' energy: -73.182 flat angles C4'-P-C4' energy: -102.094 flat angles P-C4'-P energy: -80.926 tors. eta vs tors. theta energy: -153.229 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: 8 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -1580.031509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.031509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.031509 (E_RNA) where: Base-Base interactions energy: -1085.529 where: short stacking energy: -446.579 Base-Backbone interact. energy: -1.798 local terms energy: -492.704309 where: bonds (distance) C4'-P energy: -85.579 bonds (distance) P-C4' energy: -93.818 flat angles C4'-P-C4' energy: -101.630 flat angles P-C4'-P energy: -70.783 tors. eta vs tors. theta energy: -140.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1478.499649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.499649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.499649 (E_RNA) where: Base-Base interactions energy: -1000.085 where: short stacking energy: -420.162 Base-Backbone interact. energy: -0.065 local terms energy: -478.349631 where: bonds (distance) C4'-P energy: -89.184 bonds (distance) P-C4' energy: -92.035 flat angles C4'-P-C4' energy: -110.096 flat angles P-C4'-P energy: -66.408 tors. eta vs tors. theta energy: -120.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1333.080090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.080090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.080090 (E_RNA) where: Base-Base interactions energy: -912.984 where: short stacking energy: -370.012 Base-Backbone interact. energy: 1.055 local terms energy: -421.150954 where: bonds (distance) C4'-P energy: -85.800 bonds (distance) P-C4' energy: -85.643 flat angles C4'-P-C4' energy: -94.646 flat angles P-C4'-P energy: -57.584 tors. eta vs tors. theta energy: -97.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1282.923278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.923278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.923278 (E_RNA) where: Base-Base interactions energy: -874.047 where: short stacking energy: -370.550 Base-Backbone interact. energy: 1.499 local terms energy: -410.375287 where: bonds (distance) C4'-P energy: -71.635 bonds (distance) P-C4' energy: -64.772 flat angles C4'-P-C4' energy: -96.293 flat angles P-C4'-P energy: -68.098 tors. eta vs tors. theta energy: -109.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -1216.093903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.093903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.093903 (E_RNA) where: Base-Base interactions energy: -841.188 where: short stacking energy: -354.950 Base-Backbone interact. energy: 0.653 local terms energy: -375.559401 where: bonds (distance) C4'-P energy: -81.281 bonds (distance) P-C4' energy: -91.976 flat angles C4'-P-C4' energy: -74.812 flat angles P-C4'-P energy: -45.806 tors. eta vs tors. theta energy: -81.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -1037.249642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.249642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.249642 (E_RNA) where: Base-Base interactions energy: -707.284 where: short stacking energy: -281.656 Base-Backbone interact. energy: -1.652 local terms energy: -328.313129 where: bonds (distance) C4'-P energy: -62.818 bonds (distance) P-C4' energy: -72.272 flat angles C4'-P-C4' energy: -80.131 flat angles P-C4'-P energy: -55.185 tors. eta vs tors. theta energy: -57.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1899.724348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.724348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.724348 (E_RNA) where: Base-Base interactions energy: -1337.944 where: short stacking energy: -535.250 Base-Backbone interact. energy: -1.300 local terms energy: -560.479975 where: bonds (distance) C4'-P energy: -95.119 bonds (distance) P-C4' energy: -106.523 flat angles C4'-P-C4' energy: -115.806 flat angles P-C4'-P energy: -81.668 tors. eta vs tors. theta energy: -161.363 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: 9 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1866.972504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.972504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.972504 (E_RNA) where: Base-Base interactions energy: -1324.199 where: short stacking energy: -522.150 Base-Backbone interact. energy: -2.537 local terms energy: -540.236329 where: bonds (distance) C4'-P energy: -88.029 bonds (distance) P-C4' energy: -96.946 flat angles C4'-P-C4' energy: -122.208 flat angles P-C4'-P energy: -68.682 tors. eta vs tors. theta energy: -164.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1763.099286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.099286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.099286 (E_RNA) where: Base-Base interactions energy: -1237.451 where: short stacking energy: -495.064 Base-Backbone interact. energy: 1.523 local terms energy: -527.171337 where: bonds (distance) C4'-P energy: -95.420 bonds (distance) P-C4' energy: -81.239 flat angles C4'-P-C4' energy: -116.263 flat angles P-C4'-P energy: -77.622 tors. eta vs tors. theta energy: -156.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1691.028107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.028107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.028107 (E_RNA) where: Base-Base interactions energy: -1182.111 where: short stacking energy: -491.218 Base-Backbone interact. energy: 3.745 local terms energy: -512.661966 where: bonds (distance) C4'-P energy: -89.592 bonds (distance) P-C4' energy: -79.983 flat angles C4'-P-C4' energy: -110.933 flat angles P-C4'-P energy: -73.669 tors. eta vs tors. theta energy: -158.486 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: 5, replica: 8 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -1581.988033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.988033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.988033 (E_RNA) where: Base-Base interactions energy: -1123.677 where: short stacking energy: -460.247 Base-Backbone interact. energy: 0.258 local terms energy: -458.568230 where: bonds (distance) C4'-P energy: -75.338 bonds (distance) P-C4' energy: -80.795 flat angles C4'-P-C4' energy: -111.734 flat angles P-C4'-P energy: -56.550 tors. eta vs tors. theta energy: -134.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -1476.649786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.649786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.649786 (E_RNA) where: Base-Base interactions energy: -1033.127 where: short stacking energy: -435.422 Base-Backbone interact. energy: 0.159 local terms energy: -443.682009 where: bonds (distance) C4'-P energy: -87.572 bonds (distance) P-C4' energy: -75.523 flat angles C4'-P-C4' energy: -104.990 flat angles P-C4'-P energy: -47.745 tors. eta vs tors. theta energy: -127.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1351.032611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.032611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.032611 (E_RNA) where: Base-Base interactions energy: -900.243 where: short stacking energy: -373.168 Base-Backbone interact. energy: -0.898 local terms energy: -449.890715 where: bonds (distance) C4'-P energy: -79.991 bonds (distance) P-C4' energy: -89.455 flat angles C4'-P-C4' energy: -93.532 flat angles P-C4'-P energy: -70.951 tors. eta vs tors. theta energy: -115.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1292.313302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.313302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.313302 (E_RNA) where: Base-Base interactions energy: -857.606 where: short stacking energy: -345.160 Base-Backbone interact. energy: 0.611 local terms energy: -435.318587 where: bonds (distance) C4'-P energy: -90.146 bonds (distance) P-C4' energy: -82.218 flat angles C4'-P-C4' energy: -95.573 flat angles P-C4'-P energy: -60.246 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: 9, replica: 2 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -1221.433559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.433559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.433559 (E_RNA) where: Base-Base interactions energy: -835.435 where: short stacking energy: -356.043 Base-Backbone interact. energy: 0.196 local terms energy: -386.195050 where: bonds (distance) C4'-P energy: -76.507 bonds (distance) P-C4' energy: -77.206 flat angles C4'-P-C4' energy: -98.738 flat angles P-C4'-P energy: -42.471 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: 10, replica: 7 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -1083.320212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.320212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.320212 (E_RNA) where: Base-Base interactions energy: -723.568 where: short stacking energy: -306.087 Base-Backbone interact. energy: -0.426 local terms energy: -359.325945 where: bonds (distance) C4'-P energy: -80.381 bonds (distance) P-C4' energy: -63.087 flat angles C4'-P-C4' energy: -83.485 flat angles P-C4'-P energy: -51.882 tors. eta vs tors. theta energy: -80.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1900.733057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.733057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.733057 (E_RNA) where: Base-Base interactions energy: -1350.362 where: short stacking energy: -524.083 Base-Backbone interact. energy: -2.281 local terms energy: -548.090019 where: bonds (distance) C4'-P energy: -86.901 bonds (distance) P-C4' energy: -103.385 flat angles C4'-P-C4' energy: -117.024 flat angles P-C4'-P energy: -81.356 tors. eta vs tors. theta energy: -159.424 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: 9 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1856.645670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.645670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.645670 (E_RNA) where: Base-Base interactions energy: -1310.580 where: short stacking energy: -513.659 Base-Backbone interact. energy: -1.700 local terms energy: -544.364739 where: bonds (distance) C4'-P energy: -95.404 bonds (distance) P-C4' energy: -100.087 flat angles C4'-P-C4' energy: -107.206 flat angles P-C4'-P energy: -82.205 tors. eta vs tors. theta energy: -159.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1774.071566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.071566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.071566 (E_RNA) where: Base-Base interactions energy: -1261.103 where: short stacking energy: -518.180 Base-Backbone interact. energy: 2.418 local terms energy: -515.386084 where: bonds (distance) C4'-P energy: -73.766 bonds (distance) P-C4' energy: -97.702 flat angles C4'-P-C4' energy: -106.649 flat angles P-C4'-P energy: -77.220 tors. eta vs tors. theta energy: -160.049 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: 1 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1678.784747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.784747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.784747 (E_RNA) where: Base-Base interactions energy: -1169.255 where: short stacking energy: -477.405 Base-Backbone interact. energy: -1.006 local terms energy: -508.524099 where: bonds (distance) C4'-P energy: -89.613 bonds (distance) P-C4' energy: -89.141 flat angles C4'-P-C4' energy: -105.368 flat angles P-C4'-P energy: -77.384 tors. eta vs tors. theta energy: -147.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -1584.044900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.044900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.044900 (E_RNA) where: Base-Base interactions energy: -1097.410 where: short stacking energy: -447.818 Base-Backbone interact. energy: -0.434 local terms energy: -486.201242 where: bonds (distance) C4'-P energy: -90.003 bonds (distance) P-C4' energy: -88.884 flat angles C4'-P-C4' energy: -98.210 flat angles P-C4'-P energy: -67.040 tors. eta vs tors. theta energy: -142.064 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: 6, replica: 5 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1469.327472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.327472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.327472 (E_RNA) where: Base-Base interactions energy: -1021.673 where: short stacking energy: -406.502 Base-Backbone interact. energy: -1.308 local terms energy: -446.346825 where: bonds (distance) C4'-P energy: -83.127 bonds (distance) P-C4' energy: -67.640 flat angles C4'-P-C4' energy: -100.070 flat angles P-C4'-P energy: -61.326 tors. eta vs tors. theta energy: -134.183 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: 384 Temperature: 1.200000 Total energy: -1337.519331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.519331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.519331 (E_RNA) where: Base-Base interactions energy: -910.415 where: short stacking energy: -374.571 Base-Backbone interact. energy: -0.394 local terms energy: -426.710648 where: bonds (distance) C4'-P energy: -78.360 bonds (distance) P-C4' energy: -89.459 flat angles C4'-P-C4' energy: -90.013 flat angles P-C4'-P energy: -57.526 tors. eta vs tors. theta energy: -111.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -1299.314387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.314387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.314387 (E_RNA) where: Base-Base interactions energy: -900.605 where: short stacking energy: -367.911 Base-Backbone interact. energy: -0.725 local terms energy: -397.984322 where: bonds (distance) C4'-P energy: -75.452 bonds (distance) P-C4' energy: -85.636 flat angles C4'-P-C4' energy: -88.419 flat angles P-C4'-P energy: -48.522 tors. eta vs tors. theta energy: -99.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -1192.594726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.594726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.594726 (E_RNA) where: Base-Base interactions energy: -791.812 where: short stacking energy: -328.355 Base-Backbone interact. energy: -1.514 local terms energy: -399.268839 where: bonds (distance) C4'-P energy: -88.051 bonds (distance) P-C4' energy: -87.108 flat angles C4'-P-C4' energy: -78.791 flat angles P-C4'-P energy: -56.662 tors. eta vs tors. theta energy: -88.657 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: 7 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -1086.497203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.497203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.497203 (E_RNA) where: Base-Base interactions energy: -723.443 where: short stacking energy: -300.391 Base-Backbone interact. energy: 0.469 local terms energy: -363.522429 where: bonds (distance) C4'-P energy: -69.516 bonds (distance) P-C4' energy: -72.255 flat angles C4'-P-C4' energy: -84.859 flat angles P-C4'-P energy: -63.876 tors. eta vs tors. theta energy: -73.017 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: 4 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1907.853362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.853362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.853362 (E_RNA) where: Base-Base interactions energy: -1367.334 where: short stacking energy: -535.864 Base-Backbone interact. energy: 2.593 local terms energy: -543.112876 where: bonds (distance) C4'-P energy: -90.317 bonds (distance) P-C4' energy: -98.123 flat angles C4'-P-C4' energy: -106.218 flat angles P-C4'-P energy: -79.309 tors. eta vs tors. theta energy: -169.145 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: 385 Temperature: 0.950000 Total energy: -1828.528683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.528683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.528683 (E_RNA) where: Base-Base interactions energy: -1276.381 where: short stacking energy: -506.360 Base-Backbone interact. energy: -1.456 local terms energy: -550.690840 where: bonds (distance) C4'-P energy: -96.324 bonds (distance) P-C4' energy: -100.679 flat angles C4'-P-C4' energy: -117.043 flat angles P-C4'-P energy: -80.908 tors. eta vs tors. theta energy: -155.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1765.416537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.416537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.416537 (E_RNA) where: Base-Base interactions energy: -1237.310 where: short stacking energy: -513.826 Base-Backbone interact. energy: -1.575 local terms energy: -526.531229 where: bonds (distance) C4'-P energy: -93.243 bonds (distance) P-C4' energy: -83.069 flat angles C4'-P-C4' energy: -110.562 flat angles P-C4'-P energy: -77.090 tors. eta vs tors. theta energy: -162.567 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: 1 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -1693.413991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.413991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.413991 (E_RNA) where: Base-Base interactions energy: -1202.913 where: short stacking energy: -486.508 Base-Backbone interact. energy: 0.182 local terms energy: -490.682566 where: bonds (distance) C4'-P energy: -77.720 bonds (distance) P-C4' energy: -83.278 flat angles C4'-P-C4' energy: -107.095 flat angles P-C4'-P energy: -67.377 tors. eta vs tors. theta energy: -155.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -1597.094165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.094165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.094165 (E_RNA) where: Base-Base interactions energy: -1097.398 where: short stacking energy: -460.836 Base-Backbone interact. energy: 0.674 local terms energy: -500.370490 where: bonds (distance) C4'-P energy: -95.818 bonds (distance) P-C4' energy: -90.007 flat angles C4'-P-C4' energy: -99.772 flat angles P-C4'-P energy: -72.963 tors. eta vs tors. theta energy: -141.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1471.401762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.401762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.401762 (E_RNA) where: Base-Base interactions energy: -1021.530 where: short stacking energy: -426.130 Base-Backbone interact. energy: -0.887 local terms energy: -448.984170 where: bonds (distance) C4'-P energy: -77.624 bonds (distance) P-C4' energy: -86.078 flat angles C4'-P-C4' energy: -101.903 flat angles P-C4'-P energy: -52.948 tors. eta vs tors. theta energy: -130.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1301.078308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.078308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.078308 (E_RNA) where: Base-Base interactions energy: -865.844 where: short stacking energy: -364.146 Base-Backbone interact. energy: -0.744 local terms energy: -434.490666 where: bonds (distance) C4'-P energy: -84.390 bonds (distance) P-C4' energy: -85.497 flat angles C4'-P-C4' energy: -89.071 flat angles P-C4'-P energy: -74.316 tors. eta vs tors. theta energy: -101.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1281.765178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.765178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.765178 (E_RNA) where: Base-Base interactions energy: -873.410 where: short stacking energy: -357.702 Base-Backbone interact. energy: -1.204 local terms energy: -407.151139 where: bonds (distance) C4'-P energy: -80.781 bonds (distance) P-C4' energy: -80.649 flat angles C4'-P-C4' energy: -85.117 flat angles P-C4'-P energy: -62.006 tors. eta vs tors. theta energy: -98.598 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: 2 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -1166.855105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.855105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.855105 (E_RNA) where: Base-Base interactions energy: -810.737 where: short stacking energy: -340.656 Base-Backbone interact. energy: 2.458 local terms energy: -358.576256 where: bonds (distance) C4'-P energy: -72.694 bonds (distance) P-C4' energy: -71.202 flat angles C4'-P-C4' energy: -88.270 flat angles P-C4'-P energy: -43.011 tors. eta vs tors. theta energy: -83.400 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: 7 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -1053.979791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.979791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.979791 (E_RNA) where: Base-Base interactions energy: -693.412 where: short stacking energy: -278.286 Base-Backbone interact. energy: -1.195 local terms energy: -359.373193 where: bonds (distance) C4'-P energy: -81.774 bonds (distance) P-C4' energy: -76.235 flat angles C4'-P-C4' energy: -91.213 flat angles P-C4'-P energy: -49.344 tors. eta vs tors. theta energy: -60.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1906.521180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.521180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.521180 (E_RNA) where: Base-Base interactions energy: -1337.248 where: short stacking energy: -540.496 Base-Backbone interact. energy: 1.007 local terms energy: -570.279677 where: bonds (distance) C4'-P energy: -101.504 bonds (distance) P-C4' energy: -96.780 flat angles C4'-P-C4' energy: -121.849 flat angles P-C4'-P energy: -86.440 tors. eta vs tors. theta energy: -163.707 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: 9 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1846.406686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.406686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.406686 (E_RNA) where: Base-Base interactions energy: -1309.310 where: short stacking energy: -504.994 Base-Backbone interact. energy: -0.979 local terms energy: -536.117438 where: bonds (distance) C4'-P energy: -87.909 bonds (distance) P-C4' energy: -97.932 flat angles C4'-P-C4' energy: -108.953 flat angles P-C4'-P energy: -85.035 tors. eta vs tors. theta energy: -156.288 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: 3 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1752.946615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.946615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.946615 (E_RNA) where: Base-Base interactions energy: -1211.542 where: short stacking energy: -506.087 Base-Backbone interact. energy: -1.597 local terms energy: -539.807292 where: bonds (distance) C4'-P energy: -97.243 bonds (distance) P-C4' energy: -84.675 flat angles C4'-P-C4' energy: -114.420 flat angles P-C4'-P energy: -87.545 tors. eta vs tors. theta energy: -155.924 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: 4, replica: 1 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -1682.860318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.860318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.860318 (E_RNA) where: Base-Base interactions energy: -1197.395 where: short stacking energy: -475.746 Base-Backbone interact. energy: -2.722 local terms energy: -482.743268 where: bonds (distance) C4'-P energy: -84.756 bonds (distance) P-C4' energy: -87.457 flat angles C4'-P-C4' energy: -100.971 flat angles P-C4'-P energy: -65.030 tors. eta vs tors. theta energy: -144.529 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: 8 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -1593.723713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.723713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.723713 (E_RNA) where: Base-Base interactions energy: -1114.487 where: short stacking energy: -454.955 Base-Backbone interact. energy: -1.538 local terms energy: -477.698353 where: bonds (distance) C4'-P energy: -82.422 bonds (distance) P-C4' energy: -84.524 flat angles C4'-P-C4' energy: -102.115 flat angles P-C4'-P energy: -71.891 tors. eta vs tors. theta energy: -136.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -1493.514924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.514924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.514924 (E_RNA) where: Base-Base interactions energy: -1031.789 where: short stacking energy: -414.167 Base-Backbone interact. energy: -1.021 local terms energy: -460.704705 where: bonds (distance) C4'-P energy: -74.357 bonds (distance) P-C4' energy: -95.043 flat angles C4'-P-C4' energy: -100.248 flat angles P-C4'-P energy: -74.135 tors. eta vs tors. theta energy: -116.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1300.285556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.285556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.285556 (E_RNA) where: Base-Base interactions energy: -883.534 where: short stacking energy: -368.292 Base-Backbone interact. energy: 0.321 local terms energy: -417.071611 where: bonds (distance) C4'-P energy: -80.612 bonds (distance) P-C4' energy: -76.892 flat angles C4'-P-C4' energy: -88.149 flat angles P-C4'-P energy: -68.850 tors. eta vs tors. theta energy: -102.569 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: 8, replica: 6 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1277.576486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.576486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.576486 (E_RNA) where: Base-Base interactions energy: -858.086 where: short stacking energy: -349.662 Base-Backbone interact. energy: -0.869 local terms energy: -418.621994 where: bonds (distance) C4'-P energy: -75.026 bonds (distance) P-C4' energy: -87.518 flat angles C4'-P-C4' energy: -77.668 flat angles P-C4'-P energy: -71.411 tors. eta vs tors. theta energy: -107.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -1164.687273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.687273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.687273 (E_RNA) where: Base-Base interactions energy: -794.680 where: short stacking energy: -337.478 Base-Backbone interact. energy: -0.085 local terms energy: -369.922838 where: bonds (distance) C4'-P energy: -77.467 bonds (distance) P-C4' energy: -68.988 flat angles C4'-P-C4' energy: -83.734 flat angles P-C4'-P energy: -46.679 tors. eta vs tors. theta energy: -93.054 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: 386 Temperature: 1.350000 Total energy: -1010.394746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.394746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.394746 (E_RNA) where: Base-Base interactions energy: -677.891 where: short stacking energy: -281.425 Base-Backbone interact. energy: -1.086 local terms energy: -331.417801 where: bonds (distance) C4'-P energy: -63.756 bonds (distance) P-C4' energy: -85.451 flat angles C4'-P-C4' energy: -87.622 flat angles P-C4'-P energy: -38.405 tors. eta vs tors. theta energy: -56.184 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: 4 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1919.672063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.672063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.672063 (E_RNA) where: Base-Base interactions energy: -1343.713 where: short stacking energy: -540.204 Base-Backbone interact. energy: -1.574 local terms energy: -574.385223 where: bonds (distance) C4'-P energy: -93.176 bonds (distance) P-C4' energy: -105.411 flat angles C4'-P-C4' energy: -120.438 flat angles P-C4'-P energy: -86.624 tors. eta vs tors. theta energy: -168.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1848.642405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.642405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.642405 (E_RNA) where: Base-Base interactions energy: -1318.230 where: short stacking energy: -523.037 Base-Backbone interact. energy: -0.504 local terms energy: -529.908263 where: bonds (distance) C4'-P energy: -82.984 bonds (distance) P-C4' energy: -99.435 flat angles C4'-P-C4' energy: -109.185 flat angles P-C4'-P energy: -72.629 tors. eta vs tors. theta energy: -165.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1768.243940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.243940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.243940 (E_RNA) where: Base-Base interactions energy: -1248.713 where: short stacking energy: -514.162 Base-Backbone interact. energy: 0.256 local terms energy: -519.787136 where: bonds (distance) C4'-P energy: -81.304 bonds (distance) P-C4' energy: -93.800 flat angles C4'-P-C4' energy: -108.395 flat angles P-C4'-P energy: -77.535 tors. eta vs tors. theta energy: -158.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -1685.291648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.291648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.291648 (E_RNA) where: Base-Base interactions energy: -1172.049 where: short stacking energy: -472.607 Base-Backbone interact. energy: -1.362 local terms energy: -511.879808 where: bonds (distance) C4'-P energy: -88.395 bonds (distance) P-C4' energy: -89.854 flat angles C4'-P-C4' energy: -107.551 flat angles P-C4'-P energy: -69.650 tors. eta vs tors. theta energy: -156.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -1563.606101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.606101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.606101 (E_RNA) where: Base-Base interactions energy: -1097.068 where: short stacking energy: -450.124 Base-Backbone interact. energy: -0.363 local terms energy: -466.175251 where: bonds (distance) C4'-P energy: -85.799 bonds (distance) P-C4' energy: -65.591 flat angles C4'-P-C4' energy: -103.391 flat angles P-C4'-P energy: -67.855 tors. eta vs tors. theta energy: -143.538 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: 5 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1430.864534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.864534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.864534 (E_RNA) where: Base-Base interactions energy: -974.957 where: short stacking energy: -385.277 Base-Backbone interact. energy: -0.010 local terms energy: -455.896747 where: bonds (distance) C4'-P energy: -89.691 bonds (distance) P-C4' energy: -93.574 flat angles C4'-P-C4' energy: -95.046 flat angles P-C4'-P energy: -68.583 tors. eta vs tors. theta energy: -109.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1303.198470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.198470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.198470 (E_RNA) where: Base-Base interactions energy: -884.693 where: short stacking energy: -364.658 Base-Backbone interact. energy: -1.673 local terms energy: -416.831984 where: bonds (distance) C4'-P energy: -77.079 bonds (distance) P-C4' energy: -86.868 flat angles C4'-P-C4' energy: -99.648 flat angles P-C4'-P energy: -54.514 tors. eta vs tors. theta energy: -98.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1264.317982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.317982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.317982 (E_RNA) where: Base-Base interactions energy: -871.214 where: short stacking energy: -356.527 Base-Backbone interact. energy: -2.110 local terms energy: -390.994219 where: bonds (distance) C4'-P energy: -77.020 bonds (distance) P-C4' energy: -90.373 flat angles C4'-P-C4' energy: -82.543 flat angles P-C4'-P energy: -41.406 tors. eta vs tors. theta energy: -99.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -1161.903762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.903762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.903762 (E_RNA) where: Base-Base interactions energy: -812.842 where: short stacking energy: -320.414 Base-Backbone interact. energy: -1.389 local terms energy: -347.672734 where: bonds (distance) C4'-P energy: -62.713 bonds (distance) P-C4' energy: -83.471 flat angles C4'-P-C4' energy: -72.214 flat angles P-C4'-P energy: -41.137 tors. eta vs tors. theta energy: -88.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -1020.563060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.563060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.563060 (E_RNA) where: Base-Base interactions energy: -678.040 where: short stacking energy: -293.954 Base-Backbone interact. energy: -1.981 local terms energy: -340.542200 where: bonds (distance) C4'-P energy: -72.493 bonds (distance) P-C4' energy: -63.125 flat angles C4'-P-C4' energy: -96.408 flat angles P-C4'-P energy: -42.408 tors. eta vs tors. theta energy: -66.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1912.130582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.130582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.130582 (E_RNA) where: Base-Base interactions energy: -1353.222 where: short stacking energy: -547.661 Base-Backbone interact. energy: -2.208 local terms energy: -556.700280 where: bonds (distance) C4'-P energy: -95.126 bonds (distance) P-C4' energy: -98.359 flat angles C4'-P-C4' energy: -112.392 flat angles P-C4'-P energy: -79.117 tors. eta vs tors. theta energy: -171.706 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: 9 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1847.529191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.529191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.529191 (E_RNA) where: Base-Base interactions energy: -1325.443 where: short stacking energy: -524.924 Base-Backbone interact. energy: -3.383 local terms energy: -518.703518 where: bonds (distance) C4'-P energy: -99.594 bonds (distance) P-C4' energy: -99.748 flat angles C4'-P-C4' energy: -100.744 flat angles P-C4'-P energy: -63.899 tors. eta vs tors. theta energy: -154.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1771.383681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.383681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.383681 (E_RNA) where: Base-Base interactions energy: -1233.808 where: short stacking energy: -500.001 Base-Backbone interact. energy: -2.473 local terms energy: -535.102522 where: bonds (distance) C4'-P energy: -104.644 bonds (distance) P-C4' energy: -95.859 flat angles C4'-P-C4' energy: -110.483 flat angles P-C4'-P energy: -69.661 tors. eta vs tors. theta energy: -154.455 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: 1 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1697.601315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.601315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.601315 (E_RNA) where: Base-Base interactions energy: -1185.799 where: short stacking energy: -461.139 Base-Backbone interact. energy: -0.030 local terms energy: -511.773084 where: bonds (distance) C4'-P energy: -86.628 bonds (distance) P-C4' energy: -90.684 flat angles C4'-P-C4' energy: -109.592 flat angles P-C4'-P energy: -73.465 tors. eta vs tors. theta energy: -151.405 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: 8 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -1584.968531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.968531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.968531 (E_RNA) where: Base-Base interactions energy: -1116.356 where: short stacking energy: -461.247 Base-Backbone interact. energy: 1.069 local terms energy: -469.681916 where: bonds (distance) C4'-P energy: -80.284 bonds (distance) P-C4' energy: -76.911 flat angles C4'-P-C4' energy: -98.053 flat angles P-C4'-P energy: -72.584 tors. eta vs tors. theta energy: -141.850 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: 5 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1448.353253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.353253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.353253 (E_RNA) where: Base-Base interactions energy: -1010.267 where: short stacking energy: -418.092 Base-Backbone interact. energy: -0.420 local terms energy: -437.665687 where: bonds (distance) C4'-P energy: -77.776 bonds (distance) P-C4' energy: -92.956 flat angles C4'-P-C4' energy: -97.178 flat angles P-C4'-P energy: -57.075 tors. eta vs tors. theta energy: -112.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1306.572817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.572817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.572817 (E_RNA) where: Base-Base interactions energy: -889.840 where: short stacking energy: -379.261 Base-Backbone interact. energy: -0.823 local terms energy: -415.910158 where: bonds (distance) C4'-P energy: -65.572 bonds (distance) P-C4' energy: -93.474 flat angles C4'-P-C4' energy: -89.925 flat angles P-C4'-P energy: -64.695 tors. eta vs tors. theta energy: -102.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1284.102733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.102733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.102733 (E_RNA) where: Base-Base interactions energy: -873.846 where: short stacking energy: -365.626 Base-Backbone interact. energy: 2.000 local terms energy: -412.256799 where: bonds (distance) C4'-P energy: -80.048 bonds (distance) P-C4' energy: -93.802 flat angles C4'-P-C4' energy: -96.873 flat angles P-C4'-P energy: -49.306 tors. eta vs tors. theta energy: -92.227 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: 9, replica: 2 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -1183.285413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.285413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.285413 (E_RNA) where: Base-Base interactions energy: -799.168 where: short stacking energy: -333.185 Base-Backbone interact. energy: -2.268 local terms energy: -381.848444 where: bonds (distance) C4'-P energy: -80.208 bonds (distance) P-C4' energy: -73.535 flat angles C4'-P-C4' energy: -81.108 flat angles P-C4'-P energy: -67.353 tors. eta vs tors. theta energy: -79.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -1011.271924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.271924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.271924 (E_RNA) where: Base-Base interactions energy: -672.740 where: short stacking energy: -280.410 Base-Backbone interact. energy: -1.202 local terms energy: -337.329331 where: bonds (distance) C4'-P energy: -55.605 bonds (distance) P-C4' energy: -88.017 flat angles C4'-P-C4' energy: -84.272 flat angles P-C4'-P energy: -42.078 tors. eta vs tors. theta energy: -67.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1901.233795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.233795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.233795 (E_RNA) where: Base-Base interactions energy: -1349.609 where: short stacking energy: -540.553 Base-Backbone interact. energy: -1.320 local terms energy: -550.305052 where: bonds (distance) C4'-P energy: -97.717 bonds (distance) P-C4' energy: -91.269 flat angles C4'-P-C4' energy: -116.072 flat angles P-C4'-P energy: -81.448 tors. eta vs tors. theta energy: -163.799 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: 9 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1862.471637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.471637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.471637 (E_RNA) where: Base-Base interactions energy: -1344.546 where: short stacking energy: -530.440 Base-Backbone interact. energy: 0.819 local terms energy: -518.745366 where: bonds (distance) C4'-P energy: -89.812 bonds (distance) P-C4' energy: -90.382 flat angles C4'-P-C4' energy: -110.617 flat angles P-C4'-P energy: -66.888 tors. eta vs tors. theta energy: -161.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1780.623688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.623688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.623688 (E_RNA) where: Base-Base interactions energy: -1244.526 where: short stacking energy: -515.091 Base-Backbone interact. energy: -2.402 local terms energy: -533.695582 where: bonds (distance) C4'-P energy: -94.655 bonds (distance) P-C4' energy: -90.172 flat angles C4'-P-C4' energy: -113.094 flat angles P-C4'-P energy: -72.131 tors. eta vs tors. theta energy: -163.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -1726.578739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.578739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.578739 (E_RNA) where: Base-Base interactions energy: -1220.381 where: short stacking energy: -496.337 Base-Backbone interact. energy: 0.480 local terms energy: -506.677740 where: bonds (distance) C4'-P energy: -81.635 bonds (distance) P-C4' energy: -88.102 flat angles C4'-P-C4' energy: -106.332 flat angles P-C4'-P energy: -74.890 tors. eta vs tors. theta energy: -155.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -1578.395149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.395149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.395149 (E_RNA) where: Base-Base interactions energy: -1130.107 where: short stacking energy: -446.089 Base-Backbone interact. energy: -2.729 local terms energy: -445.559303 where: bonds (distance) C4'-P energy: -80.147 bonds (distance) P-C4' energy: -75.038 flat angles C4'-P-C4' energy: -89.067 flat angles P-C4'-P energy: -65.707 tors. eta vs tors. theta energy: -135.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -1461.960825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.960825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.960825 (E_RNA) where: Base-Base interactions energy: -1032.723 where: short stacking energy: -413.061 Base-Backbone interact. energy: -1.933 local terms energy: -427.304413 where: bonds (distance) C4'-P energy: -83.981 bonds (distance) P-C4' energy: -73.780 flat angles C4'-P-C4' energy: -95.298 flat angles P-C4'-P energy: -64.476 tors. eta vs tors. theta energy: -109.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1309.429008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.429008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.429008 (E_RNA) where: Base-Base interactions energy: -877.202 where: short stacking energy: -368.044 Base-Backbone interact. energy: -0.632 local terms energy: -431.594916 where: bonds (distance) C4'-P energy: -75.727 bonds (distance) P-C4' energy: -89.890 flat angles C4'-P-C4' energy: -96.604 flat angles P-C4'-P energy: -65.036 tors. eta vs tors. theta energy: -104.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1190.713983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.713983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.713983 (E_RNA) where: Base-Base interactions energy: -774.096 where: short stacking energy: -322.165 Base-Backbone interact. energy: -1.616 local terms energy: -415.002404 where: bonds (distance) C4'-P energy: -83.137 bonds (distance) P-C4' energy: -92.308 flat angles C4'-P-C4' energy: -87.797 flat angles P-C4'-P energy: -65.663 tors. eta vs tors. theta energy: -86.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -1233.339647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.339647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.339647 (E_RNA) where: Base-Base interactions energy: -830.482 where: short stacking energy: -348.577 Base-Backbone interact. energy: -3.191 local terms energy: -399.667043 where: bonds (distance) C4'-P energy: -73.169 bonds (distance) P-C4' energy: -79.343 flat angles C4'-P-C4' energy: -102.136 flat angles P-C4'-P energy: -45.174 tors. eta vs tors. theta energy: -99.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -1009.575584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.575584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.575584 (E_RNA) where: Base-Base interactions energy: -677.759 where: short stacking energy: -266.592 Base-Backbone interact. energy: 0.466 local terms energy: -332.282906 where: bonds (distance) C4'-P energy: -60.663 bonds (distance) P-C4' energy: -91.150 flat angles C4'-P-C4' energy: -83.587 flat angles P-C4'-P energy: -35.578 tors. eta vs tors. theta energy: -61.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1914.031434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.031434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.031434 (E_RNA) where: Base-Base interactions energy: -1366.968 where: short stacking energy: -533.503 Base-Backbone interact. energy: -0.851 local terms energy: -546.212573 where: bonds (distance) C4'-P energy: -96.062 bonds (distance) P-C4' energy: -81.392 flat angles C4'-P-C4' energy: -117.916 flat angles P-C4'-P energy: -81.537 tors. eta vs tors. theta energy: -169.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1855.289840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.289840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.289840 (E_RNA) where: Base-Base interactions energy: -1319.361 where: short stacking energy: -504.037 Base-Backbone interact. energy: 0.623 local terms energy: -536.552402 where: bonds (distance) C4'-P energy: -84.907 bonds (distance) P-C4' energy: -103.219 flat angles C4'-P-C4' energy: -109.310 flat angles P-C4'-P energy: -81.906 tors. eta vs tors. theta energy: -157.211 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: 3 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1792.175195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.175195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.175195 (E_RNA) where: Base-Base interactions energy: -1264.151 where: short stacking energy: -530.739 Base-Backbone interact. energy: 1.032 local terms energy: -529.056622 where: bonds (distance) C4'-P energy: -85.835 bonds (distance) P-C4' energy: -83.995 flat angles C4'-P-C4' energy: -117.896 flat angles P-C4'-P energy: -78.452 tors. eta vs tors. theta energy: -162.878 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: 1 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -1732.450883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.450883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.450883 (E_RNA) where: Base-Base interactions energy: -1207.564 where: short stacking energy: -500.065 Base-Backbone interact. energy: -2.546 local terms energy: -522.340438 where: bonds (distance) C4'-P energy: -86.919 bonds (distance) P-C4' energy: -93.873 flat angles C4'-P-C4' energy: -116.142 flat angles P-C4'-P energy: -71.727 tors. eta vs tors. theta energy: -153.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -1580.029859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.029859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.029859 (E_RNA) where: Base-Base interactions energy: -1100.228 where: short stacking energy: -444.763 Base-Backbone interact. energy: -1.151 local terms energy: -478.651016 where: bonds (distance) C4'-P energy: -80.492 bonds (distance) P-C4' energy: -92.006 flat angles C4'-P-C4' energy: -98.322 flat angles P-C4'-P energy: -68.018 tors. eta vs tors. theta energy: -139.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1472.117820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.117820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.117820 (E_RNA) where: Base-Base interactions energy: -1024.499 where: short stacking energy: -416.074 Base-Backbone interact. energy: 0.368 local terms energy: -447.986726 where: bonds (distance) C4'-P energy: -90.074 bonds (distance) P-C4' energy: -86.182 flat angles C4'-P-C4' energy: -91.425 flat angles P-C4'-P energy: -64.346 tors. eta vs tors. theta energy: -115.959 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: 10 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1294.571760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.571760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.571760 (E_RNA) where: Base-Base interactions energy: -856.799 where: short stacking energy: -345.758 Base-Backbone interact. energy: -1.173 local terms energy: -436.600301 where: bonds (distance) C4'-P energy: -80.507 bonds (distance) P-C4' energy: -91.765 flat angles C4'-P-C4' energy: -84.495 flat angles P-C4'-P energy: -72.245 tors. eta vs tors. theta energy: -107.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1237.081330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.081330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.081330 (E_RNA) where: Base-Base interactions energy: -801.827 where: short stacking energy: -333.164 Base-Backbone interact. energy: -0.950 local terms energy: -434.303970 where: bonds (distance) C4'-P energy: -75.159 bonds (distance) P-C4' energy: -114.045 flat angles C4'-P-C4' energy: -95.624 flat angles P-C4'-P energy: -56.532 tors. eta vs tors. theta energy: -92.944 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: 6 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -1246.261550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.261550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.261550 (E_RNA) where: Base-Base interactions energy: -867.328 where: short stacking energy: -351.913 Base-Backbone interact. energy: -0.781 local terms energy: -378.152466 where: bonds (distance) C4'-P energy: -72.168 bonds (distance) P-C4' energy: -84.117 flat angles C4'-P-C4' energy: -74.915 flat angles P-C4'-P energy: -48.834 tors. eta vs tors. theta energy: -98.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -1041.935793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.935793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.935793 (E_RNA) where: Base-Base interactions energy: -699.574 where: short stacking energy: -293.766 Base-Backbone interact. energy: 3.668 local terms energy: -346.029858 where: bonds (distance) C4'-P energy: -68.912 bonds (distance) P-C4' energy: -81.986 flat angles C4'-P-C4' energy: -80.384 flat angles P-C4'-P energy: -51.879 tors. eta vs tors. theta energy: -62.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1898.577870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.577870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.577870 (E_RNA) where: Base-Base interactions energy: -1344.487 where: short stacking energy: -524.628 Base-Backbone interact. energy: -2.393 local terms energy: -551.697663 where: bonds (distance) C4'-P energy: -87.120 bonds (distance) P-C4' energy: -105.775 flat angles C4'-P-C4' energy: -110.868 flat angles P-C4'-P energy: -88.889 tors. eta vs tors. theta energy: -159.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1805.025141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.025141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.025141 (E_RNA) where: Base-Base interactions energy: -1271.506 where: short stacking energy: -513.764 Base-Backbone interact. energy: 1.143 local terms energy: -534.662807 where: bonds (distance) C4'-P energy: -94.317 bonds (distance) P-C4' energy: -93.249 flat angles C4'-P-C4' energy: -113.092 flat angles P-C4'-P energy: -65.021 tors. eta vs tors. theta energy: -168.983 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: 9 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1811.171272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.171272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.171272 (E_RNA) where: Base-Base interactions energy: -1297.331 where: short stacking energy: -506.342 Base-Backbone interact. energy: -1.722 local terms energy: -512.118094 where: bonds (distance) C4'-P energy: -82.035 bonds (distance) P-C4' energy: -90.248 flat angles C4'-P-C4' energy: -108.297 flat angles P-C4'-P energy: -70.117 tors. eta vs tors. theta energy: -161.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -1725.121079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.121079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.121079 (E_RNA) where: Base-Base interactions energy: -1198.636 where: short stacking energy: -494.217 Base-Backbone interact. energy: -1.270 local terms energy: -525.215493 where: bonds (distance) C4'-P energy: -87.825 bonds (distance) P-C4' energy: -98.066 flat angles C4'-P-C4' energy: -104.964 flat angles P-C4'-P energy: -76.222 tors. eta vs tors. theta energy: -158.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1637.340005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.340005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.340005 (E_RNA) where: Base-Base interactions energy: -1154.007 where: short stacking energy: -452.691 Base-Backbone interact. energy: -0.447 local terms energy: -482.886291 where: bonds (distance) C4'-P energy: -85.665 bonds (distance) P-C4' energy: -78.487 flat angles C4'-P-C4' energy: -99.652 flat angles P-C4'-P energy: -74.304 tors. eta vs tors. theta energy: -144.779 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: 5 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1493.999357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.999357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.999357 (E_RNA) where: Base-Base interactions energy: -1034.359 where: short stacking energy: -422.469 Base-Backbone interact. energy: -2.025 local terms energy: -457.615807 where: bonds (distance) C4'-P energy: -76.199 bonds (distance) P-C4' energy: -85.327 flat angles C4'-P-C4' energy: -106.920 flat angles P-C4'-P energy: -66.727 tors. eta vs tors. theta energy: -122.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1319.333625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.333625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.333625 (E_RNA) where: Base-Base interactions energy: -884.455 where: short stacking energy: -368.945 Base-Backbone interact. energy: -0.422 local terms energy: -434.456825 where: bonds (distance) C4'-P energy: -79.390 bonds (distance) P-C4' energy: -78.425 flat angles C4'-P-C4' energy: -95.836 flat angles P-C4'-P energy: -68.273 tors. eta vs tors. theta energy: -112.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1294.395739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.395739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.395739 (E_RNA) where: Base-Base interactions energy: -872.850 where: short stacking energy: -379.249 Base-Backbone interact. energy: 0.611 local terms energy: -422.156832 where: bonds (distance) C4'-P energy: -89.344 bonds (distance) P-C4' energy: -78.637 flat angles C4'-P-C4' energy: -87.010 flat angles P-C4'-P energy: -55.542 tors. eta vs tors. theta energy: -111.624 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: 2 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -1207.956832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.956832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.956832 (E_RNA) where: Base-Base interactions energy: -827.255 where: short stacking energy: -324.936 Base-Backbone interact. energy: -0.294 local terms energy: -380.407838 where: bonds (distance) C4'-P energy: -87.312 bonds (distance) P-C4' energy: -69.346 flat angles C4'-P-C4' energy: -87.411 flat angles P-C4'-P energy: -56.373 tors. eta vs tors. theta energy: -79.966 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: 10, replica: 7 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -1000.290950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.290950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.290950 (E_RNA) where: Base-Base interactions energy: -677.927 where: short stacking energy: -281.773 Base-Backbone interact. energy: 4.169 local terms energy: -326.532860 where: bonds (distance) C4'-P energy: -65.477 bonds (distance) P-C4' energy: -71.097 flat angles C4'-P-C4' energy: -84.615 flat angles P-C4'-P energy: -44.405 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: 1, replica: 4 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1907.038137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.038137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.038137 (E_RNA) where: Base-Base interactions energy: -1340.877 where: short stacking energy: -534.787 Base-Backbone interact. energy: -2.717 local terms energy: -563.444613 where: bonds (distance) C4'-P energy: -93.893 bonds (distance) P-C4' energy: -101.086 flat angles C4'-P-C4' energy: -118.611 flat angles P-C4'-P energy: -88.589 tors. eta vs tors. theta energy: -161.265 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: 3 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1797.464913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.464913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.464913 (E_RNA) where: Base-Base interactions energy: -1265.700 where: short stacking energy: -525.921 Base-Backbone interact. energy: 0.076 local terms energy: -531.841390 where: bonds (distance) C4'-P energy: -87.560 bonds (distance) P-C4' energy: -97.724 flat angles C4'-P-C4' energy: -113.407 flat angles P-C4'-P energy: -71.751 tors. eta vs tors. theta energy: -161.399 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: 9 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1820.465962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.465962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.465962 (E_RNA) where: Base-Base interactions energy: -1309.281 where: short stacking energy: -503.710 Base-Backbone interact. energy: -3.186 local terms energy: -507.998997 where: bonds (distance) C4'-P energy: -84.962 bonds (distance) P-C4' energy: -85.000 flat angles C4'-P-C4' energy: -111.110 flat angles P-C4'-P energy: -69.046 tors. eta vs tors. theta energy: -157.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1704.091611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.091611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.091611 (E_RNA) where: Base-Base interactions energy: -1193.137 where: short stacking energy: -475.510 Base-Backbone interact. energy: -1.882 local terms energy: -509.072411 where: bonds (distance) C4'-P energy: -74.801 bonds (distance) P-C4' energy: -92.442 flat angles C4'-P-C4' energy: -111.119 flat angles P-C4'-P energy: -74.418 tors. eta vs tors. theta energy: -156.293 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: 8 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -1599.039339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.039339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.039339 (E_RNA) where: Base-Base interactions energy: -1099.493 where: short stacking energy: -435.424 Base-Backbone interact. energy: -1.003 local terms energy: -498.543201 where: bonds (distance) C4'-P energy: -74.661 bonds (distance) P-C4' energy: -94.200 flat angles C4'-P-C4' energy: -105.067 flat angles P-C4'-P energy: -76.923 tors. eta vs tors. theta energy: -147.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -1470.583367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.583367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.583367 (E_RNA) where: Base-Base interactions energy: -1013.044 where: short stacking energy: -409.573 Base-Backbone interact. energy: 4.393 local terms energy: -461.932681 where: bonds (distance) C4'-P energy: -90.742 bonds (distance) P-C4' energy: -75.141 flat angles C4'-P-C4' energy: -110.950 flat angles P-C4'-P energy: -57.243 tors. eta vs tors. theta energy: -127.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1381.263091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.263091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.263091 (E_RNA) where: Base-Base interactions energy: -943.613 where: short stacking energy: -382.813 Base-Backbone interact. energy: -1.724 local terms energy: -435.926140 where: bonds (distance) C4'-P energy: -75.641 bonds (distance) P-C4' energy: -92.468 flat angles C4'-P-C4' energy: -99.187 flat angles P-C4'-P energy: -59.941 tors. eta vs tors. theta energy: -108.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1281.490926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.490926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.490926 (E_RNA) where: Base-Base interactions energy: -882.079 where: short stacking energy: -357.311 Base-Backbone interact. energy: -1.353 local terms energy: -398.059151 where: bonds (distance) C4'-P energy: -78.107 bonds (distance) P-C4' energy: -69.325 flat angles C4'-P-C4' energy: -90.075 flat angles P-C4'-P energy: -69.058 tors. eta vs tors. theta energy: -91.493 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: 2 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -1192.779102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.779102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.779102 (E_RNA) where: Base-Base interactions energy: -801.910 where: short stacking energy: -317.127 Base-Backbone interact. energy: -0.228 local terms energy: -390.641476 where: bonds (distance) C4'-P energy: -76.145 bonds (distance) P-C4' energy: -68.120 flat angles C4'-P-C4' energy: -100.052 flat angles P-C4'-P energy: -58.542 tors. eta vs tors. theta energy: -87.783 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: 7 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -1020.964858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.964858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.964858 (E_RNA) where: Base-Base interactions energy: -685.718 where: short stacking energy: -287.097 Base-Backbone interact. energy: 1.077 local terms energy: -336.324256 where: bonds (distance) C4'-P energy: -78.874 bonds (distance) P-C4' energy: -69.581 flat angles C4'-P-C4' energy: -78.496 flat angles P-C4'-P energy: -41.279 tors. eta vs tors. theta energy: -68.094 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: 1, replica: 4 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1897.712408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.712408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.712408 (E_RNA) where: Base-Base interactions energy: -1343.214 where: short stacking energy: -528.398 Base-Backbone interact. energy: 2.019 local terms energy: -556.517354 where: bonds (distance) C4'-P energy: -86.071 bonds (distance) P-C4' energy: -99.326 flat angles C4'-P-C4' energy: -115.799 flat angles P-C4'-P energy: -91.753 tors. eta vs tors. theta energy: -163.569 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: 9 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1848.680534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.680534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.680534 (E_RNA) where: Base-Base interactions energy: -1328.289 where: short stacking energy: -517.447 Base-Backbone interact. energy: -0.270 local terms energy: -520.122016 where: bonds (distance) C4'-P energy: -95.168 bonds (distance) P-C4' energy: -86.158 flat angles C4'-P-C4' energy: -110.208 flat angles P-C4'-P energy: -76.648 tors. eta vs tors. theta energy: -151.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1780.586504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.586504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.586504 (E_RNA) where: Base-Base interactions energy: -1230.551 where: short stacking energy: -504.480 Base-Backbone interact. energy: -2.751 local terms energy: -547.284185 where: bonds (distance) C4'-P energy: -89.352 bonds (distance) P-C4' energy: -104.288 flat angles C4'-P-C4' energy: -100.265 flat angles P-C4'-P energy: -89.004 tors. eta vs tors. theta energy: -164.375 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: 8 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -1645.068422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.068422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.068422 (E_RNA) where: Base-Base interactions energy: -1144.807 where: short stacking energy: -471.799 Base-Backbone interact. energy: -1.101 local terms energy: -499.160051 where: bonds (distance) C4'-P energy: -87.438 bonds (distance) P-C4' energy: -84.123 flat angles C4'-P-C4' energy: -110.858 flat angles P-C4'-P energy: -71.267 tors. eta vs tors. theta energy: -145.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -1674.984600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.984600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.984600 (E_RNA) where: Base-Base interactions energy: -1177.586 where: short stacking energy: -461.622 Base-Backbone interact. energy: -2.441 local terms energy: -494.957251 where: bonds (distance) C4'-P energy: -97.791 bonds (distance) P-C4' energy: -68.030 flat angles C4'-P-C4' energy: -105.498 flat angles P-C4'-P energy: -66.201 tors. eta vs tors. theta energy: -157.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1463.418136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.418136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.418136 (E_RNA) where: Base-Base interactions energy: -1000.650 where: short stacking energy: -409.330 Base-Backbone interact. energy: -0.801 local terms energy: -461.966954 where: bonds (distance) C4'-P energy: -76.929 bonds (distance) P-C4' energy: -89.736 flat angles C4'-P-C4' energy: -106.979 flat angles P-C4'-P energy: -65.083 tors. eta vs tors. theta energy: -123.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1380.199262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.199262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.199262 (E_RNA) where: Base-Base interactions energy: -956.954 where: short stacking energy: -412.494 Base-Backbone interact. energy: -0.729 local terms energy: -422.515890 where: bonds (distance) C4'-P energy: -66.272 bonds (distance) P-C4' energy: -73.119 flat angles C4'-P-C4' energy: -94.297 flat angles P-C4'-P energy: -67.348 tors. eta vs tors. theta energy: -121.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1266.278651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.278651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.278651 (E_RNA) where: Base-Base interactions energy: -854.799 where: short stacking energy: -378.584 Base-Backbone interact. energy: -0.566 local terms energy: -410.914025 where: bonds (distance) C4'-P energy: -86.512 bonds (distance) P-C4' energy: -80.535 flat angles C4'-P-C4' energy: -88.853 flat angles P-C4'-P energy: -54.898 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: 9, replica: 2 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -1167.269275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.269275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.269275 (E_RNA) where: Base-Base interactions energy: -801.179 where: short stacking energy: -327.025 Base-Backbone interact. energy: 2.200 local terms energy: -368.290263 where: bonds (distance) C4'-P energy: -76.898 bonds (distance) P-C4' energy: -80.598 flat angles C4'-P-C4' energy: -80.878 flat angles P-C4'-P energy: -49.740 tors. eta vs tors. theta energy: -80.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -997.471415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.471415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.471415 (E_RNA) where: Base-Base interactions energy: -623.382 where: short stacking energy: -253.540 Base-Backbone interact. energy: -0.624 local terms energy: -373.465959 where: bonds (distance) C4'-P energy: -84.783 bonds (distance) P-C4' energy: -88.130 flat angles C4'-P-C4' energy: -80.094 flat angles P-C4'-P energy: -55.688 tors. eta vs tors. theta energy: -64.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1902.456368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.456368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.456368 (E_RNA) where: Base-Base interactions energy: -1344.897 where: short stacking energy: -535.687 Base-Backbone interact. energy: -0.807 local terms energy: -556.752827 where: bonds (distance) C4'-P energy: -98.810 bonds (distance) P-C4' energy: -96.211 flat angles C4'-P-C4' energy: -120.234 flat angles P-C4'-P energy: -80.395 tors. eta vs tors. theta energy: -161.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1860.854984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.854984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.854984 (E_RNA) where: Base-Base interactions energy: -1324.643 where: short stacking energy: -516.082 Base-Backbone interact. energy: -0.964 local terms energy: -535.247840 where: bonds (distance) C4'-P energy: -93.992 bonds (distance) P-C4' energy: -91.832 flat angles C4'-P-C4' energy: -112.079 flat angles P-C4'-P energy: -78.498 tors. eta vs tors. theta energy: -158.846 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: 3 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1761.955345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.955345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.955345 (E_RNA) where: Base-Base interactions energy: -1233.162 where: short stacking energy: -506.557 Base-Backbone interact. energy: -0.751 local terms energy: -528.042635 where: bonds (distance) C4'-P energy: -90.819 bonds (distance) P-C4' energy: -82.850 flat angles C4'-P-C4' energy: -115.376 flat angles P-C4'-P energy: -73.520 tors. eta vs tors. theta energy: -165.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -1629.646962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.646962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.646962 (E_RNA) where: Base-Base interactions energy: -1121.295 where: short stacking energy: -467.200 Base-Backbone interact. energy: 1.450 local terms energy: -509.801730 where: bonds (distance) C4'-P energy: -93.118 bonds (distance) P-C4' energy: -88.681 flat angles C4'-P-C4' energy: -105.328 flat angles P-C4'-P energy: -74.260 tors. eta vs tors. theta energy: -148.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -1665.335071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.335071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.335071 (E_RNA) where: Base-Base interactions energy: -1160.953 where: short stacking energy: -481.346 Base-Backbone interact. energy: -0.931 local terms energy: -503.450619 where: bonds (distance) C4'-P energy: -72.723 bonds (distance) P-C4' energy: -89.084 flat angles C4'-P-C4' energy: -110.806 flat angles P-C4'-P energy: -73.930 tors. eta vs tors. theta energy: -156.908 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: 5 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1461.441395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.441395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.441395 (E_RNA) where: Base-Base interactions energy: -1013.906 where: short stacking energy: -414.230 Base-Backbone interact. energy: -3.146 local terms energy: -444.388668 where: bonds (distance) C4'-P energy: -81.306 bonds (distance) P-C4' energy: -75.888 flat angles C4'-P-C4' energy: -100.712 flat angles P-C4'-P energy: -64.668 tors. eta vs tors. theta energy: -121.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1354.679764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.679764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.679764 (E_RNA) where: Base-Base interactions energy: -914.390 where: short stacking energy: -372.884 Base-Backbone interact. energy: 2.031 local terms energy: -442.321167 where: bonds (distance) C4'-P energy: -87.659 bonds (distance) P-C4' energy: -90.460 flat angles C4'-P-C4' energy: -96.258 flat angles P-C4'-P energy: -60.205 tors. eta vs tors. theta energy: -107.740 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: 10 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1300.247616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.247616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.247616 (E_RNA) where: Base-Base interactions energy: -857.210 where: short stacking energy: -357.254 Base-Backbone interact. energy: -0.101 local terms energy: -442.936744 where: bonds (distance) C4'-P energy: -89.588 bonds (distance) P-C4' energy: -91.088 flat angles C4'-P-C4' energy: -86.562 flat angles P-C4'-P energy: -72.861 tors. eta vs tors. theta energy: -102.837 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: 2 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -1181.345742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.345742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.345742 (E_RNA) where: Base-Base interactions energy: -775.399 where: short stacking energy: -318.716 Base-Backbone interact. energy: 0.082 local terms energy: -406.028520 where: bonds (distance) C4'-P energy: -88.963 bonds (distance) P-C4' energy: -81.358 flat angles C4'-P-C4' energy: -95.743 flat angles P-C4'-P energy: -60.048 tors. eta vs tors. theta energy: -79.917 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: 7 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -996.795554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.795554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.795554 (E_RNA) where: Base-Base interactions energy: -651.196 where: short stacking energy: -256.354 Base-Backbone interact. energy: 0.184 local terms energy: -345.784088 where: bonds (distance) C4'-P energy: -73.007 bonds (distance) P-C4' energy: -81.732 flat angles C4'-P-C4' energy: -100.253 flat angles P-C4'-P energy: -43.358 tors. eta vs tors. theta energy: -47.433 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: 1, replica: 4 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1917.418083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.418083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.418083 (E_RNA) where: Base-Base interactions energy: -1356.627 where: short stacking energy: -534.555 Base-Backbone interact. energy: 0.120 local terms energy: -560.911264 where: bonds (distance) C4'-P energy: -101.429 bonds (distance) P-C4' energy: -98.967 flat angles C4'-P-C4' energy: -111.331 flat angles P-C4'-P energy: -82.891 tors. eta vs tors. theta energy: -166.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1871.814973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.814973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.814973 (E_RNA) where: Base-Base interactions energy: -1341.530 where: short stacking energy: -519.688 Base-Backbone interact. energy: -2.063 local terms energy: -528.221269 where: bonds (distance) C4'-P energy: -89.876 bonds (distance) P-C4' energy: -97.091 flat angles C4'-P-C4' energy: -102.418 flat angles P-C4'-P energy: -84.505 tors. eta vs tors. theta energy: -154.332 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: 3 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1744.061525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.061525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.061525 (E_RNA) where: Base-Base interactions energy: -1226.785 where: short stacking energy: -487.336 Base-Backbone interact. energy: 2.065 local terms energy: -519.342078 where: bonds (distance) C4'-P energy: -88.401 bonds (distance) P-C4' energy: -102.325 flat angles C4'-P-C4' energy: -94.903 flat angles P-C4'-P energy: -78.044 tors. eta vs tors. theta energy: -155.670 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: 1 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1711.939932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.939932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.939932 (E_RNA) where: Base-Base interactions energy: -1196.153 where: short stacking energy: -475.329 Base-Backbone interact. energy: -1.028 local terms energy: -514.758972 where: bonds (distance) C4'-P energy: -94.320 bonds (distance) P-C4' energy: -82.532 flat angles C4'-P-C4' energy: -105.727 flat angles P-C4'-P energy: -81.292 tors. eta vs tors. theta energy: -150.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -1621.761395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.761395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.761395 (E_RNA) where: Base-Base interactions energy: -1127.337 where: short stacking energy: -472.156 Base-Backbone interact. energy: 1.265 local terms energy: -495.689855 where: bonds (distance) C4'-P energy: -82.611 bonds (distance) P-C4' energy: -93.213 flat angles C4'-P-C4' energy: -106.271 flat angles P-C4'-P energy: -64.856 tors. eta vs tors. theta energy: -148.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1447.163464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.163464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.163464 (E_RNA) where: Base-Base interactions energy: -1024.381 where: short stacking energy: -431.674 Base-Backbone interact. energy: -0.383 local terms energy: -422.399018 where: bonds (distance) C4'-P energy: -77.465 bonds (distance) P-C4' energy: -68.068 flat angles C4'-P-C4' energy: -85.322 flat angles P-C4'-P energy: -71.494 tors. eta vs tors. theta energy: -120.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1354.733817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.733817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.733817 (E_RNA) where: Base-Base interactions energy: -952.704 where: short stacking energy: -410.453 Base-Backbone interact. energy: 2.174 local terms energy: -404.203606 where: bonds (distance) C4'-P energy: -66.488 bonds (distance) P-C4' energy: -77.640 flat angles C4'-P-C4' energy: -89.237 flat angles P-C4'-P energy: -52.613 tors. eta vs tors. theta energy: -118.226 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: 10 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1294.411396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.411396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.411396 (E_RNA) where: Base-Base interactions energy: -870.790 where: short stacking energy: -380.424 Base-Backbone interact. energy: -1.387 local terms energy: -422.234583 where: bonds (distance) C4'-P energy: -83.928 bonds (distance) P-C4' energy: -79.436 flat angles C4'-P-C4' energy: -90.425 flat angles P-C4'-P energy: -53.213 tors. eta vs tors. theta energy: -115.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -1180.331855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.331855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.331855 (E_RNA) where: Base-Base interactions energy: -791.604 where: short stacking energy: -323.871 Base-Backbone interact. energy: 0.168 local terms energy: -388.895850 where: bonds (distance) C4'-P energy: -82.615 bonds (distance) P-C4' energy: -88.848 flat angles C4'-P-C4' energy: -89.511 flat angles P-C4'-P energy: -46.779 tors. eta vs tors. theta energy: -81.144 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: 10, replica: 7 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -1013.533849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.533849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.533849 (E_RNA) where: Base-Base interactions energy: -682.780 where: short stacking energy: -280.993 Base-Backbone interact. energy: -1.765 local terms energy: -328.988495 where: bonds (distance) C4'-P energy: -74.419 bonds (distance) P-C4' energy: -72.475 flat angles C4'-P-C4' energy: -84.541 flat angles P-C4'-P energy: -37.124 tors. eta vs tors. theta energy: -60.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1912.749174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.749174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.749174 (E_RNA) where: Base-Base interactions energy: -1362.501 where: short stacking energy: -544.458 Base-Backbone interact. energy: -2.238 local terms energy: -548.010141 where: bonds (distance) C4'-P energy: -95.701 bonds (distance) P-C4' energy: -100.183 flat angles C4'-P-C4' energy: -110.031 flat angles P-C4'-P energy: -81.157 tors. eta vs tors. theta energy: -160.938 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: 2, replica: 9 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1854.632925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.632925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.632925 (E_RNA) where: Base-Base interactions energy: -1314.710 where: short stacking energy: -504.195 Base-Backbone interact. energy: -2.635 local terms energy: -537.287756 where: bonds (distance) C4'-P energy: -101.742 bonds (distance) P-C4' energy: -93.996 flat angles C4'-P-C4' energy: -110.197 flat angles P-C4'-P energy: -72.389 tors. eta vs tors. theta energy: -158.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1769.225072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.225072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.225072 (E_RNA) where: Base-Base interactions energy: -1228.281 where: short stacking energy: -528.150 Base-Backbone interact. energy: -1.836 local terms energy: -539.108291 where: bonds (distance) C4'-P energy: -86.590 bonds (distance) P-C4' energy: -93.239 flat angles C4'-P-C4' energy: -115.222 flat angles P-C4'-P energy: -75.380 tors. eta vs tors. theta energy: -168.678 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: 4, replica: 1 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1698.355970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.355970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.355970 (E_RNA) where: Base-Base interactions energy: -1198.772 where: short stacking energy: -492.290 Base-Backbone interact. energy: 4.932 local terms energy: -504.516785 where: bonds (distance) C4'-P energy: -84.945 bonds (distance) P-C4' energy: -86.025 flat angles C4'-P-C4' energy: -108.926 flat angles P-C4'-P energy: -68.301 tors. eta vs tors. theta energy: -156.319 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: 8 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -1626.810819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.810819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.810819 (E_RNA) where: Base-Base interactions energy: -1131.629 where: short stacking energy: -429.999 Base-Backbone interact. energy: -1.866 local terms energy: -493.316208 where: bonds (distance) C4'-P energy: -82.061 bonds (distance) P-C4' energy: -96.142 flat angles C4'-P-C4' energy: -103.336 flat angles P-C4'-P energy: -66.668 tors. eta vs tors. theta energy: -145.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1441.178332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.178332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.178332 (E_RNA) where: Base-Base interactions energy: -1013.172 where: short stacking energy: -412.492 Base-Backbone interact. energy: -0.325 local terms energy: -427.681204 where: bonds (distance) C4'-P energy: -83.159 bonds (distance) P-C4' energy: -91.385 flat angles C4'-P-C4' energy: -83.720 flat angles P-C4'-P energy: -61.373 tors. eta vs tors. theta energy: -108.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1387.708968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.708968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.708968 (E_RNA) where: Base-Base interactions energy: -949.999 where: short stacking energy: -383.874 Base-Backbone interact. energy: 0.345 local terms energy: -438.055035 where: bonds (distance) C4'-P energy: -87.879 bonds (distance) P-C4' energy: -89.218 flat angles C4'-P-C4' energy: -87.432 flat angles P-C4'-P energy: -69.365 tors. eta vs tors. theta energy: -104.161 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: 396 Temperature: 1.250000 Total energy: -1294.907663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.907663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.907663 (E_RNA) where: Base-Base interactions energy: -907.540 where: short stacking energy: -362.038 Base-Backbone interact. energy: 2.044 local terms energy: -389.412270 where: bonds (distance) C4'-P energy: -53.557 bonds (distance) P-C4' energy: -73.633 flat angles C4'-P-C4' energy: -97.693 flat angles P-C4'-P energy: -57.668 tors. eta vs tors. theta energy: -106.861 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: 2 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -1206.968277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.968277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.968277 (E_RNA) where: Base-Base interactions energy: -799.174 where: short stacking energy: -340.331 Base-Backbone interact. energy: -0.027 local terms energy: -407.767577 where: bonds (distance) C4'-P energy: -81.465 bonds (distance) P-C4' energy: -78.983 flat angles C4'-P-C4' energy: -96.552 flat angles P-C4'-P energy: -60.108 tors. eta vs tors. theta energy: -90.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -1028.963877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.963877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.963877 (E_RNA) where: Base-Base interactions energy: -681.544 where: short stacking energy: -287.215 Base-Backbone interact. energy: -0.417 local terms energy: -347.002676 where: bonds (distance) C4'-P energy: -84.389 bonds (distance) P-C4' energy: -72.585 flat angles C4'-P-C4' energy: -62.868 flat angles P-C4'-P energy: -56.923 tors. eta vs tors. theta energy: -70.238 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: 4 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1888.299815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.299815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.299815 (E_RNA) where: Base-Base interactions energy: -1343.964 where: short stacking energy: -531.167 Base-Backbone interact. energy: -0.724 local terms energy: -543.611372 where: bonds (distance) C4'-P energy: -88.258 bonds (distance) P-C4' energy: -99.113 flat angles C4'-P-C4' energy: -112.553 flat angles P-C4'-P energy: -82.163 tors. eta vs tors. theta energy: -161.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1854.565675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.565675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.565675 (E_RNA) where: Base-Base interactions energy: -1332.314 where: short stacking energy: -508.858 Base-Backbone interact. energy: -2.643 local terms energy: -519.608165 where: bonds (distance) C4'-P energy: -94.302 bonds (distance) P-C4' energy: -89.000 flat angles C4'-P-C4' energy: -108.137 flat angles P-C4'-P energy: -74.852 tors. eta vs tors. theta energy: -153.318 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: 3 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1763.932014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.932014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.932014 (E_RNA) where: Base-Base interactions energy: -1241.245 where: short stacking energy: -503.872 Base-Backbone interact. energy: -1.440 local terms energy: -521.246705 where: bonds (distance) C4'-P energy: -74.894 bonds (distance) P-C4' energy: -88.042 flat angles C4'-P-C4' energy: -113.354 flat angles P-C4'-P energy: -77.771 tors. eta vs tors. theta energy: -167.186 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: 1 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1728.389793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.389793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.389793 (E_RNA) where: Base-Base interactions energy: -1229.429 where: short stacking energy: -501.669 Base-Backbone interact. energy: 2.028 local terms energy: -500.988979 where: bonds (distance) C4'-P energy: -91.413 bonds (distance) P-C4' energy: -83.988 flat angles C4'-P-C4' energy: -99.530 flat angles P-C4'-P energy: -69.124 tors. eta vs tors. theta energy: -156.935 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: 8 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -1618.136406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.136406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.136406 (E_RNA) where: Base-Base interactions energy: -1137.714 where: short stacking energy: -469.895 Base-Backbone interact. energy: -0.336 local terms energy: -480.086534 where: bonds (distance) C4'-P energy: -75.747 bonds (distance) P-C4' energy: -91.734 flat angles C4'-P-C4' energy: -106.173 flat angles P-C4'-P energy: -61.313 tors. eta vs tors. theta energy: -145.120 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: 6, replica: 5 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1406.799473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.799473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.799473 (E_RNA) where: Base-Base interactions energy: -958.359 where: short stacking energy: -401.413 Base-Backbone interact. energy: -0.519 local terms energy: -447.921270 where: bonds (distance) C4'-P energy: -81.631 bonds (distance) P-C4' energy: -83.492 flat angles C4'-P-C4' energy: -88.057 flat angles P-C4'-P energy: -69.051 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: 7, replica: 6 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1341.897347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.897347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.897347 (E_RNA) where: Base-Base interactions energy: -914.031 where: short stacking energy: -381.328 Base-Backbone interact. energy: -1.356 local terms energy: -426.510711 where: bonds (distance) C4'-P energy: -84.309 bonds (distance) P-C4' energy: -73.143 flat angles C4'-P-C4' energy: -95.214 flat angles P-C4'-P energy: -71.633 tors. eta vs tors. theta energy: -102.212 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: 10 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1280.959294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.959294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.959294 (E_RNA) where: Base-Base interactions energy: -830.116 where: short stacking energy: -346.264 Base-Backbone interact. energy: -2.468 local terms energy: -448.375493 where: bonds (distance) C4'-P energy: -92.772 bonds (distance) P-C4' energy: -95.178 flat angles C4'-P-C4' energy: -86.471 flat angles P-C4'-P energy: -71.924 tors. eta vs tors. theta energy: -102.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -1196.665557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.665557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.665557 (E_RNA) where: Base-Base interactions energy: -809.213 where: short stacking energy: -326.715 Base-Backbone interact. energy: 0.071 local terms energy: -387.524309 where: bonds (distance) C4'-P energy: -79.921 bonds (distance) P-C4' energy: -75.628 flat angles C4'-P-C4' energy: -89.977 flat angles P-C4'-P energy: -64.334 tors. eta vs tors. theta energy: -77.663 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: 7 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -1000.383737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.383737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.383737 (E_RNA) where: Base-Base interactions energy: -663.528 where: short stacking energy: -283.243 Base-Backbone interact. energy: -1.907 local terms energy: -334.948280 where: bonds (distance) C4'-P energy: -82.618 bonds (distance) P-C4' energy: -79.317 flat angles C4'-P-C4' energy: -67.834 flat angles P-C4'-P energy: -46.920 tors. eta vs tors. theta energy: -58.259 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: 4 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1900.998716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.998716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.998716 (E_RNA) where: Base-Base interactions energy: -1374.628 where: short stacking energy: -534.370 Base-Backbone interact. energy: -2.525 local terms energy: -523.845590 where: bonds (distance) C4'-P energy: -83.664 bonds (distance) P-C4' energy: -85.159 flat angles C4'-P-C4' energy: -111.914 flat angles P-C4'-P energy: -82.221 tors. eta vs tors. theta energy: -160.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1841.135869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.135869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.135869 (E_RNA) where: Base-Base interactions energy: -1297.187 where: short stacking energy: -495.056 Base-Backbone interact. energy: -0.030 local terms energy: -543.918919 where: bonds (distance) C4'-P energy: -106.304 bonds (distance) P-C4' energy: -102.557 flat angles C4'-P-C4' energy: -113.483 flat angles P-C4'-P energy: -75.181 tors. eta vs tors. theta energy: -146.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -1760.329733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.329733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.329733 (E_RNA) where: Base-Base interactions energy: -1237.500 where: short stacking energy: -512.037 Base-Backbone interact. energy: -1.701 local terms energy: -521.129209 where: bonds (distance) C4'-P energy: -85.098 bonds (distance) P-C4' energy: -92.095 flat angles C4'-P-C4' energy: -106.499 flat angles P-C4'-P energy: -77.953 tors. eta vs tors. theta energy: -159.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -1711.286561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.286561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.286561 (E_RNA) where: Base-Base interactions energy: -1194.032 where: short stacking energy: -488.685 Base-Backbone interact. energy: -1.545 local terms energy: -515.708951 where: bonds (distance) C4'-P energy: -89.136 bonds (distance) P-C4' energy: -88.269 flat angles C4'-P-C4' energy: -113.416 flat angles P-C4'-P energy: -67.171 tors. eta vs tors. theta energy: -157.716 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: 8 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -1621.262233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.262233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.262233 (E_RNA) where: Base-Base interactions energy: -1123.642 where: short stacking energy: -457.118 Base-Backbone interact. energy: -1.450 local terms energy: -496.170957 where: bonds (distance) C4'-P energy: -75.183 bonds (distance) P-C4' energy: -93.131 flat angles C4'-P-C4' energy: -110.934 flat angles P-C4'-P energy: -73.913 tors. eta vs tors. theta energy: -143.011 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: 5 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1428.621612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.621612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.621612 (E_RNA) where: Base-Base interactions energy: -991.933 where: short stacking energy: -405.647 Base-Backbone interact. energy: 0.714 local terms energy: -437.402881 where: bonds (distance) C4'-P energy: -73.975 bonds (distance) P-C4' energy: -79.173 flat angles C4'-P-C4' energy: -90.959 flat angles P-C4'-P energy: -71.472 tors. eta vs tors. theta energy: -121.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1344.048794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.048794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.048794 (E_RNA) where: Base-Base interactions energy: -931.954 where: short stacking energy: -371.927 Base-Backbone interact. energy: 0.607 local terms energy: -412.701581 where: bonds (distance) C4'-P energy: -63.588 bonds (distance) P-C4' energy: -83.421 flat angles C4'-P-C4' energy: -93.998 flat angles P-C4'-P energy: -62.708 tors. eta vs tors. theta energy: -108.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1194.266614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.266614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.266614 (E_RNA) where: Base-Base interactions energy: -803.692 where: short stacking energy: -345.356 Base-Backbone interact. energy: 5.848 local terms energy: -396.422320 where: bonds (distance) C4'-P energy: -85.043 bonds (distance) P-C4' energy: -70.883 flat angles C4'-P-C4' energy: -95.407 flat angles P-C4'-P energy: -57.586 tors. eta vs tors. theta energy: -87.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -1200.983722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.983722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.983722 (E_RNA) where: Base-Base interactions energy: -825.873 where: short stacking energy: -343.094 Base-Backbone interact. energy: 1.126 local terms energy: -376.236497 where: bonds (distance) C4'-P energy: -65.931 bonds (distance) P-C4' energy: -84.813 flat angles C4'-P-C4' energy: -83.195 flat angles P-C4'-P energy: -57.841 tors. eta vs tors. theta energy: -84.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -1011.018665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.018665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.018665 (E_RNA) where: Base-Base interactions energy: -658.090 where: short stacking energy: -291.068 Base-Backbone interact. energy: -0.833 local terms energy: -352.096114 where: bonds (distance) C4'-P energy: -63.319 bonds (distance) P-C4' energy: -64.973 flat angles C4'-P-C4' energy: -84.761 flat angles P-C4'-P energy: -73.625 tors. eta vs tors. theta energy: -65.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1897.881691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.881691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.881691 (E_RNA) where: Base-Base interactions energy: -1355.861 where: short stacking energy: -531.593 Base-Backbone interact. energy: -1.675 local terms energy: -540.346145 where: bonds (distance) C4'-P energy: -96.771 bonds (distance) P-C4' energy: -91.695 flat angles C4'-P-C4' energy: -109.880 flat angles P-C4'-P energy: -83.156 tors. eta vs tors. theta energy: -158.844 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: 2, replica: 9 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1861.041881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.041881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.041881 (E_RNA) where: Base-Base interactions energy: -1322.956 where: short stacking energy: -512.990 Base-Backbone interact. energy: -1.383 local terms energy: -536.702442 where: bonds (distance) C4'-P energy: -101.765 bonds (distance) P-C4' energy: -90.322 flat angles C4'-P-C4' energy: -114.330 flat angles P-C4'-P energy: -74.065 tors. eta vs tors. theta energy: -156.221 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: 3 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1761.773234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.773234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.773234 (E_RNA) where: Base-Base interactions energy: -1227.912 where: short stacking energy: -505.847 Base-Backbone interact. energy: -2.417 local terms energy: -531.444074 where: bonds (distance) C4'-P energy: -92.114 bonds (distance) P-C4' energy: -96.871 flat angles C4'-P-C4' energy: -112.129 flat angles P-C4'-P energy: -69.921 tors. eta vs tors. theta energy: -160.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1727.497741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.497741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.497741 (E_RNA) where: Base-Base interactions energy: -1205.455 where: short stacking energy: -477.461 Base-Backbone interact. energy: -0.244 local terms energy: -521.798710 where: bonds (distance) C4'-P energy: -93.811 bonds (distance) P-C4' energy: -101.135 flat angles C4'-P-C4' energy: -100.192 flat angles P-C4'-P energy: -65.906 tors. eta vs tors. theta energy: -160.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -1602.889567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.889567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.889567 (E_RNA) where: Base-Base interactions energy: -1135.382 where: short stacking energy: -474.138 Base-Backbone interact. energy: -1.330 local terms energy: -466.177104 where: bonds (distance) C4'-P energy: -84.496 bonds (distance) P-C4' energy: -89.954 flat angles C4'-P-C4' energy: -97.611 flat angles P-C4'-P energy: -60.722 tors. eta vs tors. theta energy: -133.394 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: 399 Temperature: 1.150000 Total energy: -1383.239124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.239124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.239124 (E_RNA) where: Base-Base interactions energy: -938.632 where: short stacking energy: -392.848 Base-Backbone interact. energy: 2.877 local terms energy: -447.483929 where: bonds (distance) C4'-P energy: -85.692 bonds (distance) P-C4' energy: -86.711 flat angles C4'-P-C4' energy: -90.326 flat angles P-C4'-P energy: -72.446 tors. eta vs tors. theta energy: -112.309 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: 5 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1402.719117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.719117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.719117 (E_RNA) where: Base-Base interactions energy: -979.213 where: short stacking energy: -382.668 Base-Backbone interact. energy: -1.431 local terms energy: -422.074665 where: bonds (distance) C4'-P energy: -75.201 bonds (distance) P-C4' energy: -93.745 flat angles C4'-P-C4' energy: -87.520 flat angles P-C4'-P energy: -51.134 tors. eta vs tors. theta energy: -114.476 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: 8, replica: 2 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1228.964040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.964040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.964040 (E_RNA) where: Base-Base interactions energy: -813.603 where: short stacking energy: -329.653 Base-Backbone interact. energy: 0.643 local terms energy: -416.004010 where: bonds (distance) C4'-P energy: -90.639 bonds (distance) P-C4' energy: -91.232 flat angles C4'-P-C4' energy: -81.041 flat angles P-C4'-P energy: -60.908 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: 9, replica: 10 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -1201.971125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.971125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.971125 (E_RNA) where: Base-Base interactions energy: -823.943 where: short stacking energy: -342.116 Base-Backbone interact. energy: -2.376 local terms energy: -375.652171 where: bonds (distance) C4'-P energy: -80.872 bonds (distance) P-C4' energy: -81.561 flat angles C4'-P-C4' energy: -85.429 flat angles P-C4'-P energy: -34.718 tors. eta vs tors. theta energy: -93.072 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: 7 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -989.090391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.090391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.090391 (E_RNA) where: Base-Base interactions energy: -655.929 where: short stacking energy: -288.844 Base-Backbone interact. energy: 3.451 local terms energy: -336.612562 where: bonds (distance) C4'-P energy: -70.914 bonds (distance) P-C4' energy: -83.499 flat angles C4'-P-C4' energy: -65.641 flat angles P-C4'-P energy: -53.222 tors. eta vs tors. theta energy: -63.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1890.636791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.636791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.636791 (E_RNA) where: Base-Base interactions energy: -1341.119 where: short stacking energy: -537.518 Base-Backbone interact. energy: -0.397 local terms energy: -549.120189 where: bonds (distance) C4'-P energy: -101.724 bonds (distance) P-C4' energy: -91.860 flat angles C4'-P-C4' energy: -113.564 flat angles P-C4'-P energy: -76.149 tors. eta vs tors. theta energy: -165.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1855.709817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.709817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.709817 (E_RNA) where: Base-Base interactions energy: -1335.021 where: short stacking energy: -528.665 Base-Backbone interact. energy: -1.321 local terms energy: -519.367497 where: bonds (distance) C4'-P energy: -97.016 bonds (distance) P-C4' energy: -94.214 flat angles C4'-P-C4' energy: -103.928 flat angles P-C4'-P energy: -71.578 tors. eta vs tors. theta energy: -152.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1748.025877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.025877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.025877 (E_RNA) where: Base-Base interactions energy: -1211.010 where: short stacking energy: -510.124 Base-Backbone interact. energy: -1.548 local terms energy: -535.467445 where: bonds (distance) C4'-P energy: -90.485 bonds (distance) P-C4' energy: -84.717 flat angles C4'-P-C4' energy: -117.516 flat angles P-C4'-P energy: -79.498 tors. eta vs tors. theta energy: -163.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1710.605250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.605250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.605250 (E_RNA) where: Base-Base interactions energy: -1215.000 where: short stacking energy: -467.524 Base-Backbone interact. energy: -1.835 local terms energy: -493.770344 where: bonds (distance) C4'-P energy: -93.183 bonds (distance) P-C4' energy: -86.998 flat angles C4'-P-C4' energy: -98.008 flat angles P-C4'-P energy: -62.365 tors. eta vs tors. theta energy: -153.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -1601.323418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.323418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.323418 (E_RNA) where: Base-Base interactions energy: -1116.138 where: short stacking energy: -453.624 Base-Backbone interact. energy: -0.906 local terms energy: -484.279526 where: bonds (distance) C4'-P energy: -92.851 bonds (distance) P-C4' energy: -81.070 flat angles C4'-P-C4' energy: -104.337 flat angles P-C4'-P energy: -63.463 tors. eta vs tors. theta energy: -142.559 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: 6 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1414.711091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.711091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.711091 (E_RNA) where: Base-Base interactions energy: -981.994 where: short stacking energy: -396.486 Base-Backbone interact. energy: -0.235 local terms energy: -432.482419 where: bonds (distance) C4'-P energy: -78.791 bonds (distance) P-C4' energy: -82.623 flat angles C4'-P-C4' energy: -99.052 flat angles P-C4'-P energy: -54.401 tors. eta vs tors. theta energy: -117.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1419.316022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.316022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.316022 (E_RNA) where: Base-Base interactions energy: -986.410 where: short stacking energy: -404.712 Base-Backbone interact. energy: 3.061 local terms energy: -435.967787 where: bonds (distance) C4'-P energy: -81.480 bonds (distance) P-C4' energy: -71.178 flat angles C4'-P-C4' energy: -97.160 flat angles P-C4'-P energy: -69.204 tors. eta vs tors. theta energy: -116.946 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: 8, replica: 2 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1266.904051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.904051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.904051 (E_RNA) where: Base-Base interactions energy: -866.569 where: short stacking energy: -374.056 Base-Backbone interact. energy: -1.261 local terms energy: -399.074149 where: bonds (distance) C4'-P energy: -78.265 bonds (distance) P-C4' energy: -72.118 flat angles C4'-P-C4' energy: -88.365 flat angles P-C4'-P energy: -59.791 tors. eta vs tors. theta energy: -100.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -1231.615420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.615420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.615420 (E_RNA) where: Base-Base interactions energy: -850.717 where: short stacking energy: -366.686 Base-Backbone interact. energy: -0.666 local terms energy: -380.232103 where: bonds (distance) C4'-P energy: -76.660 bonds (distance) P-C4' energy: -67.804 flat angles C4'-P-C4' energy: -82.998 flat angles P-C4'-P energy: -48.898 tors. eta vs tors. theta energy: -103.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -1027.631623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.631623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.631623 (E_RNA) where: Base-Base interactions energy: -669.826 where: short stacking energy: -299.564 Base-Backbone interact. energy: 1.919 local terms energy: -359.724374 where: bonds (distance) C4'-P energy: -77.217 bonds (distance) P-C4' energy: -87.768 flat angles C4'-P-C4' energy: -87.196 flat angles P-C4'-P energy: -38.264 tors. eta vs tors. theta energy: -69.280 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: 1, replica: 4 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1921.198535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.198535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.198535 (E_RNA) where: Base-Base interactions energy: -1355.198 where: short stacking energy: -536.971 Base-Backbone interact. energy: -1.109 local terms energy: -564.891535 where: bonds (distance) C4'-P energy: -95.892 bonds (distance) P-C4' energy: -107.334 flat angles C4'-P-C4' energy: -115.823 flat angles P-C4'-P energy: -81.326 tors. eta vs tors. theta energy: -164.516 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: 401 Temperature: 0.950000 Total energy: -1840.415965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.415965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.415965 (E_RNA) where: Base-Base interactions energy: -1316.177 where: short stacking energy: -495.662 Base-Backbone interact. energy: -3.042 local terms energy: -521.196693 where: bonds (distance) C4'-P energy: -84.763 bonds (distance) P-C4' energy: -104.352 flat angles C4'-P-C4' energy: -110.309 flat angles P-C4'-P energy: -72.967 tors. eta vs tors. theta energy: -148.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1750.521864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.521864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.521864 (E_RNA) where: Base-Base interactions energy: -1226.981 where: short stacking energy: -506.643 Base-Backbone interact. energy: -0.931 local terms energy: -522.609163 where: bonds (distance) C4'-P energy: -77.522 bonds (distance) P-C4' energy: -96.522 flat angles C4'-P-C4' energy: -110.205 flat angles P-C4'-P energy: -81.486 tors. eta vs tors. theta energy: -156.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -1700.046973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.046973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.046973 (E_RNA) where: Base-Base interactions energy: -1195.154 where: short stacking energy: -486.218 Base-Backbone interact. energy: -0.795 local terms energy: -504.097886 where: bonds (distance) C4'-P energy: -85.473 bonds (distance) P-C4' energy: -90.169 flat angles C4'-P-C4' energy: -108.359 flat angles P-C4'-P energy: -63.566 tors. eta vs tors. theta energy: -156.531 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: 8 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1606.061031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.061031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.061031 (E_RNA) where: Base-Base interactions energy: -1103.308 where: short stacking energy: -444.430 Base-Backbone interact. energy: -3.228 local terms energy: -499.525238 where: bonds (distance) C4'-P energy: -94.114 bonds (distance) P-C4' energy: -96.713 flat angles C4'-P-C4' energy: -99.160 flat angles P-C4'-P energy: -61.689 tors. eta vs tors. theta energy: -147.849 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: 401 Temperature: 1.150000 Total energy: -1444.301408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.301408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.301408 (E_RNA) where: Base-Base interactions energy: -1006.697 where: short stacking energy: -412.465 Base-Backbone interact. energy: 1.224 local terms energy: -438.828899 where: bonds (distance) C4'-P energy: -95.979 bonds (distance) P-C4' energy: -73.005 flat angles C4'-P-C4' energy: -90.935 flat angles P-C4'-P energy: -63.664 tors. eta vs tors. theta energy: -115.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1432.426313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.426313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.426313 (E_RNA) where: Base-Base interactions energy: -983.585 where: short stacking energy: -415.369 Base-Backbone interact. energy: 3.637 local terms energy: -452.479003 where: bonds (distance) C4'-P energy: -82.473 bonds (distance) P-C4' energy: -85.395 flat angles C4'-P-C4' energy: -97.051 flat angles P-C4'-P energy: -63.551 tors. eta vs tors. theta energy: -124.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1239.805847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.805847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.805847 (E_RNA) where: Base-Base interactions energy: -843.204 where: short stacking energy: -356.466 Base-Backbone interact. energy: -0.701 local terms energy: -395.900794 where: bonds (distance) C4'-P energy: -73.107 bonds (distance) P-C4' energy: -74.207 flat angles C4'-P-C4' energy: -101.496 flat angles P-C4'-P energy: -53.559 tors. eta vs tors. theta energy: -93.533 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: 2 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -1172.416118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.416118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.416118 (E_RNA) where: Base-Base interactions energy: -772.069 where: short stacking energy: -329.196 Base-Backbone interact. energy: -0.929 local terms energy: -399.418690 where: bonds (distance) C4'-P energy: -87.530 bonds (distance) P-C4' energy: -82.594 flat angles C4'-P-C4' energy: -90.737 flat angles P-C4'-P energy: -60.203 tors. eta vs tors. theta energy: -78.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -1003.876034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.876034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.876034 (E_RNA) where: Base-Base interactions energy: -649.560 where: short stacking energy: -272.422 Base-Backbone interact. energy: 4.307 local terms energy: -358.622727 where: bonds (distance) C4'-P energy: -78.900 bonds (distance) P-C4' energy: -90.071 flat angles C4'-P-C4' energy: -89.116 flat angles P-C4'-P energy: -40.965 tors. eta vs tors. theta energy: -59.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1876.171398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.171398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.171398 (E_RNA) where: Base-Base interactions energy: -1329.974 where: short stacking energy: -514.862 Base-Backbone interact. energy: -0.723 local terms energy: -545.474636 where: bonds (distance) C4'-P energy: -88.960 bonds (distance) P-C4' energy: -106.220 flat angles C4'-P-C4' energy: -111.773 flat angles P-C4'-P energy: -78.445 tors. eta vs tors. theta energy: -160.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1852.750821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.750821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.750821 (E_RNA) where: Base-Base interactions energy: -1320.049 where: short stacking energy: -529.205 Base-Backbone interact. energy: -2.380 local terms energy: -530.321729 where: bonds (distance) C4'-P energy: -84.034 bonds (distance) P-C4' energy: -96.014 flat angles C4'-P-C4' energy: -108.465 flat angles P-C4'-P energy: -82.949 tors. eta vs tors. theta energy: -158.860 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: 3 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1768.727463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.727463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.727463 (E_RNA) where: Base-Base interactions energy: -1236.996 where: short stacking energy: -499.082 Base-Backbone interact. energy: -3.438 local terms energy: -528.293722 where: bonds (distance) C4'-P energy: -87.571 bonds (distance) P-C4' energy: -94.225 flat angles C4'-P-C4' energy: -111.125 flat angles P-C4'-P energy: -77.454 tors. eta vs tors. theta energy: -157.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1722.417553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.417553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.417553 (E_RNA) where: Base-Base interactions energy: -1211.301 where: short stacking energy: -503.253 Base-Backbone interact. energy: -1.809 local terms energy: -509.307856 where: bonds (distance) C4'-P energy: -83.214 bonds (distance) P-C4' energy: -86.315 flat angles C4'-P-C4' energy: -110.672 flat angles P-C4'-P energy: -71.396 tors. eta vs tors. theta energy: -157.711 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: 8 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -1616.747546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.747546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.747546 (E_RNA) where: Base-Base interactions energy: -1130.598 where: short stacking energy: -439.288 Base-Backbone interact. energy: -1.464 local terms energy: -484.685151 where: bonds (distance) C4'-P energy: -100.132 bonds (distance) P-C4' energy: -73.577 flat angles C4'-P-C4' energy: -102.987 flat angles P-C4'-P energy: -70.291 tors. eta vs tors. theta energy: -137.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1478.991111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.991111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.991111 (E_RNA) where: Base-Base interactions energy: -1027.709 where: short stacking energy: -433.100 Base-Backbone interact. energy: 1.290 local terms energy: -452.571765 where: bonds (distance) C4'-P energy: -93.464 bonds (distance) P-C4' energy: -73.112 flat angles C4'-P-C4' energy: -96.035 flat angles P-C4'-P energy: -61.370 tors. eta vs tors. theta energy: -128.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1425.650181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.650181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.650181 (E_RNA) where: Base-Base interactions energy: -1010.511 where: short stacking energy: -402.342 Base-Backbone interact. energy: 0.795 local terms energy: -415.933460 where: bonds (distance) C4'-P energy: -69.790 bonds (distance) P-C4' energy: -77.156 flat angles C4'-P-C4' energy: -88.121 flat angles P-C4'-P energy: -62.340 tors. eta vs tors. theta energy: -118.527 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: 8, replica: 10 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1304.197150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.197150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.197150 (E_RNA) where: Base-Base interactions energy: -858.171 where: short stacking energy: -368.988 Base-Backbone interact. energy: -0.256 local terms energy: -445.770289 where: bonds (distance) C4'-P energy: -84.793 bonds (distance) P-C4' energy: -93.397 flat angles C4'-P-C4' energy: -92.508 flat angles P-C4'-P energy: -64.676 tors. eta vs tors. theta energy: -110.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -1204.575801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.575801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.575801 (E_RNA) where: Base-Base interactions energy: -829.647 where: short stacking energy: -338.115 Base-Backbone interact. energy: 0.744 local terms energy: -375.672803 where: bonds (distance) C4'-P energy: -80.403 bonds (distance) P-C4' energy: -74.384 flat angles C4'-P-C4' energy: -84.277 flat angles P-C4'-P energy: -53.786 tors. eta vs tors. theta energy: -82.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -1046.357613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.357613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.357613 (E_RNA) where: Base-Base interactions energy: -691.764 where: short stacking energy: -298.943 Base-Backbone interact. energy: -1.475 local terms energy: -353.119000 where: bonds (distance) C4'-P energy: -73.483 bonds (distance) P-C4' energy: -76.311 flat angles C4'-P-C4' energy: -82.192 flat angles P-C4'-P energy: -42.019 tors. eta vs tors. theta energy: -79.113 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: 403 Temperature: 0.900000 Total energy: -1867.192966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.192966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.192966 (E_RNA) where: Base-Base interactions energy: -1325.521 where: short stacking energy: -506.660 Base-Backbone interact. energy: -0.077 local terms energy: -541.594409 where: bonds (distance) C4'-P energy: -94.215 bonds (distance) P-C4' energy: -102.311 flat angles C4'-P-C4' energy: -114.810 flat angles P-C4'-P energy: -68.290 tors. eta vs tors. theta energy: -161.968 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: 2, replica: 4 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1871.595439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.595439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.595439 (E_RNA) where: Base-Base interactions energy: -1330.241 where: short stacking energy: -538.116 Base-Backbone interact. energy: 0.459 local terms energy: -541.812771 where: bonds (distance) C4'-P energy: -94.351 bonds (distance) P-C4' energy: -90.593 flat angles C4'-P-C4' energy: -108.156 flat angles P-C4'-P energy: -83.861 tors. eta vs tors. theta energy: -164.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1742.544444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.544444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.544444 (E_RNA) where: Base-Base interactions energy: -1222.889 where: short stacking energy: -505.388 Base-Backbone interact. energy: -1.261 local terms energy: -518.394373 where: bonds (distance) C4'-P energy: -83.656 bonds (distance) P-C4' energy: -85.683 flat angles C4'-P-C4' energy: -106.705 flat angles P-C4'-P energy: -79.523 tors. eta vs tors. theta energy: -162.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1694.161400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.161400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.161400 (E_RNA) where: Base-Base interactions energy: -1189.728 where: short stacking energy: -498.322 Base-Backbone interact. energy: -1.531 local terms energy: -502.903241 where: bonds (distance) C4'-P energy: -74.656 bonds (distance) P-C4' energy: -90.298 flat angles C4'-P-C4' energy: -106.730 flat angles P-C4'-P energy: -79.365 tors. eta vs tors. theta energy: -151.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -1635.254524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.254524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.254524 (E_RNA) where: Base-Base interactions energy: -1157.798 where: short stacking energy: -477.001 Base-Backbone interact. energy: -0.894 local terms energy: -476.562406 where: bonds (distance) C4'-P energy: -79.003 bonds (distance) P-C4' energy: -74.366 flat angles C4'-P-C4' energy: -104.006 flat angles P-C4'-P energy: -64.497 tors. eta vs tors. theta energy: -154.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1442.651781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.651781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.651781 (E_RNA) where: Base-Base interactions energy: -996.905 where: short stacking energy: -407.810 Base-Backbone interact. energy: 0.081 local terms energy: -445.828035 where: bonds (distance) C4'-P energy: -78.425 bonds (distance) P-C4' energy: -91.414 flat angles C4'-P-C4' energy: -88.816 flat angles P-C4'-P energy: -65.860 tors. eta vs tors. theta energy: -121.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1413.524075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.524075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.524075 (E_RNA) where: Base-Base interactions energy: -985.278 where: short stacking energy: -399.264 Base-Backbone interact. energy: -0.312 local terms energy: -427.934345 where: bonds (distance) C4'-P energy: -74.571 bonds (distance) P-C4' energy: -86.291 flat angles C4'-P-C4' energy: -98.893 flat angles P-C4'-P energy: -61.010 tors. eta vs tors. theta energy: -107.168 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: 2 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1215.579268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.579268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.579268 (E_RNA) where: Base-Base interactions energy: -808.995 where: short stacking energy: -346.228 Base-Backbone interact. energy: 3.063 local terms energy: -409.647893 where: bonds (distance) C4'-P energy: -85.530 bonds (distance) P-C4' energy: -88.946 flat angles C4'-P-C4' energy: -86.176 flat angles P-C4'-P energy: -55.612 tors. eta vs tors. theta energy: -93.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -1229.301655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.301655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.301655 (E_RNA) where: Base-Base interactions energy: -823.531 where: short stacking energy: -339.523 Base-Backbone interact. energy: -0.723 local terms energy: -405.047989 where: bonds (distance) C4'-P energy: -75.146 bonds (distance) P-C4' energy: -71.169 flat angles C4'-P-C4' energy: -92.438 flat angles P-C4'-P energy: -82.351 tors. eta vs tors. theta energy: -83.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -1049.474518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.474518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.474518 (E_RNA) where: Base-Base interactions energy: -696.551 where: short stacking energy: -300.633 Base-Backbone interact. energy: -0.320 local terms energy: -352.603227 where: bonds (distance) C4'-P energy: -84.520 bonds (distance) P-C4' energy: -59.192 flat angles C4'-P-C4' energy: -82.890 flat angles P-C4'-P energy: -58.297 tors. eta vs tors. theta energy: -67.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1869.972044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.972044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.972044 (E_RNA) where: Base-Base interactions energy: -1323.968 where: short stacking energy: -501.791 Base-Backbone interact. energy: 0.577 local terms energy: -546.581232 where: bonds (distance) C4'-P energy: -98.803 bonds (distance) P-C4' energy: -99.871 flat angles C4'-P-C4' energy: -113.844 flat angles P-C4'-P energy: -81.891 tors. eta vs tors. theta energy: -152.172 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: 4 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -1858.858202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.858202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.858202 (E_RNA) where: Base-Base interactions energy: -1315.497 where: short stacking energy: -507.773 Base-Backbone interact. energy: -3.653 local terms energy: -539.707652 where: bonds (distance) C4'-P energy: -96.865 bonds (distance) P-C4' energy: -92.295 flat angles C4'-P-C4' energy: -115.851 flat angles P-C4'-P energy: -75.791 tors. eta vs tors. theta energy: -158.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1749.218427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.218427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.218427 (E_RNA) where: Base-Base interactions energy: -1220.700 where: short stacking energy: -500.845 Base-Backbone interact. energy: 2.391 local terms energy: -530.909474 where: bonds (distance) C4'-P energy: -97.045 bonds (distance) P-C4' energy: -88.406 flat angles C4'-P-C4' energy: -100.912 flat angles P-C4'-P energy: -81.612 tors. eta vs tors. theta energy: -162.934 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: 1 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1691.043838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.043838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.043838 (E_RNA) where: Base-Base interactions energy: -1179.538 where: short stacking energy: -484.606 Base-Backbone interact. energy: -1.803 local terms energy: -509.702608 where: bonds (distance) C4'-P energy: -88.219 bonds (distance) P-C4' energy: -86.820 flat angles C4'-P-C4' energy: -106.797 flat angles P-C4'-P energy: -73.216 tors. eta vs tors. theta energy: -154.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -1603.342543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.342543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.342543 (E_RNA) where: Base-Base interactions energy: -1127.526 where: short stacking energy: -458.442 Base-Backbone interact. energy: 3.276 local terms energy: -479.092069 where: bonds (distance) C4'-P energy: -73.743 bonds (distance) P-C4' energy: -95.765 flat angles C4'-P-C4' energy: -106.780 flat angles P-C4'-P energy: -69.836 tors. eta vs tors. theta energy: -132.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1449.454888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.454888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.454888 (E_RNA) where: Base-Base interactions energy: -999.717 where: short stacking energy: -421.500 Base-Backbone interact. energy: -0.738 local terms energy: -448.999502 where: bonds (distance) C4'-P energy: -95.739 bonds (distance) P-C4' energy: -81.069 flat angles C4'-P-C4' energy: -96.003 flat angles P-C4'-P energy: -54.981 tors. eta vs tors. theta energy: -121.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1368.852139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.852139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.852139 (E_RNA) where: Base-Base interactions energy: -938.833 where: short stacking energy: -391.707 Base-Backbone interact. energy: -0.786 local terms energy: -429.233605 where: bonds (distance) C4'-P energy: -74.730 bonds (distance) P-C4' energy: -77.966 flat angles C4'-P-C4' energy: -101.334 flat angles P-C4'-P energy: -63.528 tors. eta vs tors. theta energy: -111.676 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: 2 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1222.310734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.310734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.310734 (E_RNA) where: Base-Base interactions energy: -812.534 where: short stacking energy: -340.854 Base-Backbone interact. energy: -0.700 local terms energy: -409.077232 where: bonds (distance) C4'-P energy: -79.455 bonds (distance) P-C4' energy: -92.831 flat angles C4'-P-C4' energy: -87.483 flat angles P-C4'-P energy: -62.383 tors. eta vs tors. theta energy: -86.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -1211.704638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.704638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.704638 (E_RNA) where: Base-Base interactions energy: -829.243 where: short stacking energy: -334.833 Base-Backbone interact. energy: -1.392 local terms energy: -381.069420 where: bonds (distance) C4'-P energy: -84.737 bonds (distance) P-C4' energy: -85.204 flat angles C4'-P-C4' energy: -74.743 flat angles P-C4'-P energy: -50.503 tors. eta vs tors. theta energy: -85.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -1022.661392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.661392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.661392 (E_RNA) where: Base-Base interactions energy: -656.108 where: short stacking energy: -273.960 Base-Backbone interact. energy: 0.639 local terms energy: -367.191900 where: bonds (distance) C4'-P energy: -84.178 bonds (distance) P-C4' energy: -80.606 flat angles C4'-P-C4' energy: -87.416 flat angles P-C4'-P energy: -55.621 tors. eta vs tors. theta energy: -59.371 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: 9 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1892.011900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.011900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.011900 (E_RNA) where: Base-Base interactions energy: -1339.660 where: short stacking energy: -516.800 Base-Backbone interact. energy: 0.452 local terms energy: -552.803723 where: bonds (distance) C4'-P energy: -85.989 bonds (distance) P-C4' energy: -103.463 flat angles C4'-P-C4' energy: -121.674 flat angles P-C4'-P energy: -78.261 tors. eta vs tors. theta energy: -163.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1856.512652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.512652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.512652 (E_RNA) where: Base-Base interactions energy: -1321.074 where: short stacking energy: -517.955 Base-Backbone interact. energy: -0.937 local terms energy: -534.501899 where: bonds (distance) C4'-P energy: -94.950 bonds (distance) P-C4' energy: -93.723 flat angles C4'-P-C4' energy: -103.545 flat angles P-C4'-P energy: -74.546 tors. eta vs tors. theta energy: -167.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1743.407112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.407112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.407112 (E_RNA) where: Base-Base interactions energy: -1224.841 where: short stacking energy: -507.798 Base-Backbone interact. energy: -0.407 local terms energy: -518.159133 where: bonds (distance) C4'-P energy: -88.846 bonds (distance) P-C4' energy: -93.293 flat angles C4'-P-C4' energy: -100.078 flat angles P-C4'-P energy: -77.036 tors. eta vs tors. theta energy: -158.907 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: 1 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1704.738774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.738774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.738774 (E_RNA) where: Base-Base interactions energy: -1196.812 where: short stacking energy: -481.832 Base-Backbone interact. energy: 1.096 local terms energy: -509.022441 where: bonds (distance) C4'-P energy: -89.356 bonds (distance) P-C4' energy: -86.182 flat angles C4'-P-C4' energy: -112.086 flat angles P-C4'-P energy: -63.063 tors. eta vs tors. theta energy: -158.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1602.511052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.511052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.511052 (E_RNA) where: Base-Base interactions energy: -1120.607 where: short stacking energy: -449.063 Base-Backbone interact. energy: 0.167 local terms energy: -482.071740 where: bonds (distance) C4'-P energy: -75.926 bonds (distance) P-C4' energy: -90.174 flat angles C4'-P-C4' energy: -99.965 flat angles P-C4'-P energy: -63.224 tors. eta vs tors. theta energy: -152.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1491.054758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.054758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.054758 (E_RNA) where: Base-Base interactions energy: -1021.129 where: short stacking energy: -427.367 Base-Backbone interact. energy: 2.335 local terms energy: -472.260145 where: bonds (distance) C4'-P energy: -70.483 bonds (distance) P-C4' energy: -98.552 flat angles C4'-P-C4' energy: -102.296 flat angles P-C4'-P energy: -73.302 tors. eta vs tors. theta energy: -127.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1357.536836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.536836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.536836 (E_RNA) where: Base-Base interactions energy: -961.430 where: short stacking energy: -375.149 Base-Backbone interact. energy: -1.048 local terms energy: -395.058968 where: bonds (distance) C4'-P energy: -75.046 bonds (distance) P-C4' energy: -82.846 flat angles C4'-P-C4' energy: -89.049 flat angles P-C4'-P energy: -51.746 tors. eta vs tors. theta energy: -96.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1217.123988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.123988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.123988 (E_RNA) where: Base-Base interactions energy: -779.752 where: short stacking energy: -334.258 Base-Backbone interact. energy: -0.030 local terms energy: -437.341585 where: bonds (distance) C4'-P energy: -92.060 bonds (distance) P-C4' energy: -93.586 flat angles C4'-P-C4' energy: -94.009 flat angles P-C4'-P energy: -62.160 tors. eta vs tors. theta energy: -95.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -1170.165675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.165675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.165675 (E_RNA) where: Base-Base interactions energy: -800.085 where: short stacking energy: -326.432 Base-Backbone interact. energy: 1.922 local terms energy: -372.002946 where: bonds (distance) C4'-P energy: -70.082 bonds (distance) P-C4' energy: -76.233 flat angles C4'-P-C4' energy: -77.654 flat angles P-C4'-P energy: -65.037 tors. eta vs tors. theta energy: -82.997 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: 7 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -1015.097561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.097561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.097561 (E_RNA) where: Base-Base interactions energy: -654.786 where: short stacking energy: -290.816 Base-Backbone interact. energy: 0.241 local terms energy: -360.553073 where: bonds (distance) C4'-P energy: -85.856 bonds (distance) P-C4' energy: -75.537 flat angles C4'-P-C4' energy: -80.718 flat angles P-C4'-P energy: -53.818 tors. eta vs tors. theta energy: -64.624 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: 9 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1885.610045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.610045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.610045 (E_RNA) where: Base-Base interactions energy: -1351.778 where: short stacking energy: -533.561 Base-Backbone interact. energy: -1.768 local terms energy: -532.063846 where: bonds (distance) C4'-P energy: -85.863 bonds (distance) P-C4' energy: -93.310 flat angles C4'-P-C4' energy: -108.227 flat angles P-C4'-P energy: -82.519 tors. eta vs tors. theta energy: -162.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1862.848942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.848942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.848942 (E_RNA) where: Base-Base interactions energy: -1319.517 where: short stacking energy: -536.570 Base-Backbone interact. energy: -1.980 local terms energy: -541.352221 where: bonds (distance) C4'-P energy: -97.410 bonds (distance) P-C4' energy: -97.220 flat angles C4'-P-C4' energy: -113.456 flat angles P-C4'-P energy: -66.209 tors. eta vs tors. theta energy: -167.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1758.602825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.602825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.602825 (E_RNA) where: Base-Base interactions energy: -1239.150 where: short stacking energy: -503.053 Base-Backbone interact. energy: 2.374 local terms energy: -521.827417 where: bonds (distance) C4'-P energy: -79.927 bonds (distance) P-C4' energy: -90.906 flat angles C4'-P-C4' energy: -104.687 flat angles P-C4'-P energy: -83.229 tors. eta vs tors. theta energy: -163.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1718.200965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.200965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.200965 (E_RNA) where: Base-Base interactions energy: -1194.603 where: short stacking energy: -486.608 Base-Backbone interact. energy: -0.199 local terms energy: -523.398835 where: bonds (distance) C4'-P energy: -91.586 bonds (distance) P-C4' energy: -90.091 flat angles C4'-P-C4' energy: -116.639 flat angles P-C4'-P energy: -75.423 tors. eta vs tors. theta energy: -149.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -1597.741153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.741153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.741153 (E_RNA) where: Base-Base interactions energy: -1094.861 where: short stacking energy: -441.103 Base-Backbone interact. energy: 1.732 local terms energy: -504.612496 where: bonds (distance) C4'-P energy: -84.054 bonds (distance) P-C4' energy: -96.030 flat angles C4'-P-C4' energy: -116.864 flat angles P-C4'-P energy: -61.506 tors. eta vs tors. theta energy: -146.158 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: 5 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1480.553218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.553218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.553218 (E_RNA) where: Base-Base interactions energy: -1030.781 where: short stacking energy: -406.964 Base-Backbone interact. energy: -0.767 local terms energy: -449.005595 where: bonds (distance) C4'-P energy: -82.842 bonds (distance) P-C4' energy: -77.681 flat angles C4'-P-C4' energy: -91.551 flat angles P-C4'-P energy: -74.101 tors. eta vs tors. theta energy: -122.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1388.790728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.790728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.790728 (E_RNA) where: Base-Base interactions energy: -962.334 where: short stacking energy: -387.018 Base-Backbone interact. energy: -1.615 local terms energy: -424.841481 where: bonds (distance) C4'-P energy: -65.439 bonds (distance) P-C4' energy: -84.969 flat angles C4'-P-C4' energy: -91.797 flat angles P-C4'-P energy: -72.358 tors. eta vs tors. theta energy: -110.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1229.564035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.564035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.564035 (E_RNA) where: Base-Base interactions energy: -822.636 where: short stacking energy: -340.806 Base-Backbone interact. energy: -1.136 local terms energy: -405.791533 where: bonds (distance) C4'-P energy: -64.647 bonds (distance) P-C4' energy: -99.333 flat angles C4'-P-C4' energy: -90.571 flat angles P-C4'-P energy: -48.796 tors. eta vs tors. theta energy: -102.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -1144.085556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.085556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.085556 (E_RNA) where: Base-Base interactions energy: -772.377 where: short stacking energy: -323.342 Base-Backbone interact. energy: -1.849 local terms energy: -369.859294 where: bonds (distance) C4'-P energy: -74.267 bonds (distance) P-C4' energy: -63.824 flat angles C4'-P-C4' energy: -92.087 flat angles P-C4'-P energy: -58.621 tors. eta vs tors. theta energy: -81.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -988.757386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.757386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.757386 (E_RNA) where: Base-Base interactions energy: -642.775 where: short stacking energy: -281.915 Base-Backbone interact. energy: -0.757 local terms energy: -345.225158 where: bonds (distance) C4'-P energy: -69.019 bonds (distance) P-C4' energy: -88.062 flat angles C4'-P-C4' energy: -80.225 flat angles P-C4'-P energy: -50.955 tors. eta vs tors. theta energy: -56.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1861.400641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.400641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.400641 (E_RNA) where: Base-Base interactions energy: -1338.933 where: short stacking energy: -516.218 Base-Backbone interact. energy: -2.659 local terms energy: -519.809015 where: bonds (distance) C4'-P energy: -89.448 bonds (distance) P-C4' energy: -99.007 flat angles C4'-P-C4' energy: -109.549 flat angles P-C4'-P energy: -68.807 tors. eta vs tors. theta energy: -152.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1856.989115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.989115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.989115 (E_RNA) where: Base-Base interactions energy: -1306.301 where: short stacking energy: -526.988 Base-Backbone interact. energy: -1.434 local terms energy: -549.254180 where: bonds (distance) C4'-P energy: -95.538 bonds (distance) P-C4' energy: -94.830 flat angles C4'-P-C4' energy: -112.916 flat angles P-C4'-P energy: -88.192 tors. eta vs tors. theta energy: -157.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1754.483068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.483068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.483068 (E_RNA) where: Base-Base interactions energy: -1227.682 where: short stacking energy: -512.204 Base-Backbone interact. energy: 1.824 local terms energy: -528.624083 where: bonds (distance) C4'-P energy: -89.090 bonds (distance) P-C4' energy: -90.139 flat angles C4'-P-C4' energy: -118.577 flat angles P-C4'-P energy: -67.236 tors. eta vs tors. theta energy: -163.583 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: 1 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1728.793988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.793988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.793988 (E_RNA) where: Base-Base interactions energy: -1199.415 where: short stacking energy: -483.527 Base-Backbone interact. energy: 1.055 local terms energy: -530.434052 where: bonds (distance) C4'-P energy: -84.604 bonds (distance) P-C4' energy: -96.117 flat angles C4'-P-C4' energy: -117.797 flat angles P-C4'-P energy: -72.809 tors. eta vs tors. theta energy: -159.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1631.281954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.281954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.281954 (E_RNA) where: Base-Base interactions energy: -1127.598 where: short stacking energy: -468.060 Base-Backbone interact. energy: -0.796 local terms energy: -502.887893 where: bonds (distance) C4'-P energy: -86.772 bonds (distance) P-C4' energy: -90.657 flat angles C4'-P-C4' energy: -110.265 flat angles P-C4'-P energy: -60.297 tors. eta vs tors. theta energy: -154.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1466.389345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.389345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.389345 (E_RNA) where: Base-Base interactions energy: -1007.067 where: short stacking energy: -409.377 Base-Backbone interact. energy: -1.423 local terms energy: -457.899246 where: bonds (distance) C4'-P energy: -80.811 bonds (distance) P-C4' energy: -85.796 flat angles C4'-P-C4' energy: -110.089 flat angles P-C4'-P energy: -59.362 tors. eta vs tors. theta energy: -121.841 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: 6 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1352.538042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.538042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.538042 (E_RNA) where: Base-Base interactions energy: -942.859 where: short stacking energy: -392.670 Base-Backbone interact. energy: -1.604 local terms energy: -408.075767 where: bonds (distance) C4'-P energy: -89.571 bonds (distance) P-C4' energy: -71.424 flat angles C4'-P-C4' energy: -88.986 flat angles P-C4'-P energy: -56.965 tors. eta vs tors. theta energy: -101.129 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: 2 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1185.248138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.248138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.248138 (E_RNA) where: Base-Base interactions energy: -810.293 where: short stacking energy: -339.865 Base-Backbone interact. energy: 1.836 local terms energy: -376.791609 where: bonds (distance) C4'-P energy: -62.903 bonds (distance) P-C4' energy: -98.047 flat angles C4'-P-C4' energy: -71.416 flat angles P-C4'-P energy: -54.777 tors. eta vs tors. theta energy: -89.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -1183.333210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.333210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.333210 (E_RNA) where: Base-Base interactions energy: -794.589 where: short stacking energy: -330.095 Base-Backbone interact. energy: 3.711 local terms energy: -392.455713 where: bonds (distance) C4'-P energy: -74.916 bonds (distance) P-C4' energy: -77.227 flat angles C4'-P-C4' energy: -85.990 flat angles P-C4'-P energy: -64.639 tors. eta vs tors. theta energy: -89.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -994.934409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.934409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.934409 (E_RNA) where: Base-Base interactions energy: -650.932 where: short stacking energy: -278.694 Base-Backbone interact. energy: -1.217 local terms energy: -342.785352 where: bonds (distance) C4'-P energy: -76.815 bonds (distance) P-C4' energy: -74.239 flat angles C4'-P-C4' energy: -80.819 flat angles P-C4'-P energy: -43.188 tors. eta vs tors. theta energy: -67.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1886.883922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.883922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.883922 (E_RNA) where: Base-Base interactions energy: -1335.835 where: short stacking energy: -525.596 Base-Backbone interact. energy: -1.935 local terms energy: -549.113845 where: bonds (distance) C4'-P energy: -85.557 bonds (distance) P-C4' energy: -108.828 flat angles C4'-P-C4' energy: -115.928 flat angles P-C4'-P energy: -73.443 tors. eta vs tors. theta energy: -165.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1856.253883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.253883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.253883 (E_RNA) where: Base-Base interactions energy: -1332.598 where: short stacking energy: -521.194 Base-Backbone interact. energy: -0.635 local terms energy: -523.020409 where: bonds (distance) C4'-P energy: -92.519 bonds (distance) P-C4' energy: -87.798 flat angles C4'-P-C4' energy: -106.344 flat angles P-C4'-P energy: -76.754 tors. eta vs tors. theta energy: -159.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1747.313449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.313449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.313449 (E_RNA) where: Base-Base interactions energy: -1226.373 where: short stacking energy: -506.875 Base-Backbone interact. energy: -0.617 local terms energy: -520.323709 where: bonds (distance) C4'-P energy: -84.775 bonds (distance) P-C4' energy: -95.882 flat angles C4'-P-C4' energy: -112.888 flat angles P-C4'-P energy: -66.769 tors. eta vs tors. theta energy: -160.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1716.410916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.410916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.410916 (E_RNA) where: Base-Base interactions energy: -1224.218 where: short stacking energy: -520.095 Base-Backbone interact. energy: 1.320 local terms energy: -493.512660 where: bonds (distance) C4'-P energy: -80.721 bonds (distance) P-C4' energy: -81.085 flat angles C4'-P-C4' energy: -113.240 flat angles P-C4'-P energy: -67.262 tors. eta vs tors. theta energy: -151.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1615.753964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.753964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.753964 (E_RNA) where: Base-Base interactions energy: -1118.514 where: short stacking energy: -452.642 Base-Backbone interact. energy: -1.520 local terms energy: -495.720252 where: bonds (distance) C4'-P energy: -80.795 bonds (distance) P-C4' energy: -92.027 flat angles C4'-P-C4' energy: -102.921 flat angles P-C4'-P energy: -70.505 tors. eta vs tors. theta energy: -149.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -1432.340630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.340630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.340630 (E_RNA) where: Base-Base interactions energy: -1000.184 where: short stacking energy: -406.395 Base-Backbone interact. energy: -0.294 local terms energy: -431.861938 where: bonds (distance) C4'-P energy: -84.971 bonds (distance) P-C4' energy: -82.543 flat angles C4'-P-C4' energy: -92.516 flat angles P-C4'-P energy: -57.781 tors. eta vs tors. theta energy: -114.051 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: 408 Temperature: 1.200000 Total energy: -1350.478778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.478778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.478778 (E_RNA) where: Base-Base interactions energy: -920.243 where: short stacking energy: -383.390 Base-Backbone interact. energy: 3.259 local terms energy: -433.495144 where: bonds (distance) C4'-P energy: -78.663 bonds (distance) P-C4' energy: -80.665 flat angles C4'-P-C4' energy: -91.866 flat angles P-C4'-P energy: -70.330 tors. eta vs tors. theta energy: -111.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1254.051393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.051393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.051393 (E_RNA) where: Base-Base interactions energy: -844.751 where: short stacking energy: -363.968 Base-Backbone interact. energy: -1.617 local terms energy: -407.684054 where: bonds (distance) C4'-P energy: -77.236 bonds (distance) P-C4' energy: -84.886 flat angles C4'-P-C4' energy: -84.828 flat angles P-C4'-P energy: -60.429 tors. eta vs tors. theta energy: -100.306 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: 10 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -1146.230305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.230305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.230305 (E_RNA) where: Base-Base interactions energy: -767.430 where: short stacking energy: -319.723 Base-Backbone interact. energy: 0.519 local terms energy: -379.319650 where: bonds (distance) C4'-P energy: -79.365 bonds (distance) P-C4' energy: -82.664 flat angles C4'-P-C4' energy: -85.827 flat angles P-C4'-P energy: -55.871 tors. eta vs tors. theta energy: -75.593 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: 7 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -905.187289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.187289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.187289 (E_RNA) where: Base-Base interactions energy: -572.078 where: short stacking energy: -240.279 Base-Backbone interact. energy: -1.976 local terms energy: -331.133599 where: bonds (distance) C4'-P energy: -64.937 bonds (distance) P-C4' energy: -75.380 flat angles C4'-P-C4' energy: -84.669 flat angles P-C4'-P energy: -47.670 tors. eta vs tors. theta energy: -58.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1901.560858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.560858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.560858 (E_RNA) where: Base-Base interactions energy: -1338.783 where: short stacking energy: -523.943 Base-Backbone interact. energy: -2.089 local terms energy: -560.688666 where: bonds (distance) C4'-P energy: -110.400 bonds (distance) P-C4' energy: -99.686 flat angles C4'-P-C4' energy: -111.324 flat angles P-C4'-P energy: -80.909 tors. eta vs tors. theta energy: -158.370 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: 2, replica: 4 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1855.553921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.553921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.553921 (E_RNA) where: Base-Base interactions energy: -1327.282 where: short stacking energy: -516.784 Base-Backbone interact. energy: -0.173 local terms energy: -528.098577 where: bonds (distance) C4'-P energy: -86.349 bonds (distance) P-C4' energy: -90.227 flat angles C4'-P-C4' energy: -112.639 flat angles P-C4'-P energy: -75.490 tors. eta vs tors. theta energy: -163.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1751.997614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.997614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.997614 (E_RNA) where: Base-Base interactions energy: -1224.125 where: short stacking energy: -505.719 Base-Backbone interact. energy: -1.146 local terms energy: -526.726372 where: bonds (distance) C4'-P energy: -95.281 bonds (distance) P-C4' energy: -90.617 flat angles C4'-P-C4' energy: -107.291 flat angles P-C4'-P energy: -73.000 tors. eta vs tors. theta energy: -160.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1710.771175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.771175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.771175 (E_RNA) where: Base-Base interactions energy: -1191.770 where: short stacking energy: -485.655 Base-Backbone interact. energy: -1.155 local terms energy: -517.846858 where: bonds (distance) C4'-P energy: -89.436 bonds (distance) P-C4' energy: -96.817 flat angles C4'-P-C4' energy: -105.194 flat angles P-C4'-P energy: -72.255 tors. eta vs tors. theta energy: -154.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1630.421692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.421692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.421692 (E_RNA) where: Base-Base interactions energy: -1138.395 where: short stacking energy: -474.038 Base-Backbone interact. energy: -1.526 local terms energy: -490.500067 where: bonds (distance) C4'-P energy: -78.645 bonds (distance) P-C4' energy: -96.256 flat angles C4'-P-C4' energy: -99.544 flat angles P-C4'-P energy: -69.782 tors. eta vs tors. theta energy: -146.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1467.294994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.294994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.294994 (E_RNA) where: Base-Base interactions energy: -1011.503 where: short stacking energy: -403.873 Base-Backbone interact. energy: -0.058 local terms energy: -455.734741 where: bonds (distance) C4'-P energy: -86.628 bonds (distance) P-C4' energy: -97.730 flat angles C4'-P-C4' energy: -86.409 flat angles P-C4'-P energy: -69.734 tors. eta vs tors. theta energy: -115.234 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: 7, replica: 6 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1358.763227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.763227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.763227 (E_RNA) where: Base-Base interactions energy: -923.642 where: short stacking energy: -373.244 Base-Backbone interact. energy: 3.150 local terms energy: -438.271326 where: bonds (distance) C4'-P energy: -83.420 bonds (distance) P-C4' energy: -79.916 flat angles C4'-P-C4' energy: -102.197 flat angles P-C4'-P energy: -58.359 tors. eta vs tors. theta energy: -114.379 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: 2 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1256.801260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.801260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.801260 (E_RNA) where: Base-Base interactions energy: -844.308 where: short stacking energy: -344.716 Base-Backbone interact. energy: -1.329 local terms energy: -411.164183 where: bonds (distance) C4'-P energy: -88.016 bonds (distance) P-C4' energy: -68.418 flat angles C4'-P-C4' energy: -97.629 flat angles P-C4'-P energy: -65.482 tors. eta vs tors. theta energy: -91.620 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: 10 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -1151.064202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.064202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.064202 (E_RNA) where: Base-Base interactions energy: -778.248 where: short stacking energy: -321.797 Base-Backbone interact. energy: -0.267 local terms energy: -372.549567 where: bonds (distance) C4'-P energy: -89.070 bonds (distance) P-C4' energy: -77.363 flat angles C4'-P-C4' energy: -81.544 flat angles P-C4'-P energy: -49.313 tors. eta vs tors. theta energy: -75.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -909.360393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.360393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.360393 (E_RNA) where: Base-Base interactions energy: -603.947 where: short stacking energy: -248.492 Base-Backbone interact. energy: 5.004 local terms energy: -310.417495 where: bonds (distance) C4'-P energy: -85.549 bonds (distance) P-C4' energy: -70.410 flat angles C4'-P-C4' energy: -72.032 flat angles P-C4'-P energy: -44.588 tors. eta vs tors. theta energy: -37.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1879.810392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.810392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.810392 (E_RNA) where: Base-Base interactions energy: -1325.003 where: short stacking energy: -507.250 Base-Backbone interact. energy: -0.818 local terms energy: -553.988584 where: bonds (distance) C4'-P energy: -93.583 bonds (distance) P-C4' energy: -114.340 flat angles C4'-P-C4' energy: -111.111 flat angles P-C4'-P energy: -70.437 tors. eta vs tors. theta energy: -164.516 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: 4 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1872.633860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.633860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.633860 (E_RNA) where: Base-Base interactions energy: -1326.255 where: short stacking energy: -508.474 Base-Backbone interact. energy: -0.023 local terms energy: -546.356522 where: bonds (distance) C4'-P energy: -98.573 bonds (distance) P-C4' energy: -104.541 flat angles C4'-P-C4' energy: -108.433 flat angles P-C4'-P energy: -79.980 tors. eta vs tors. theta energy: -154.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1756.877982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.877982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.877982 (E_RNA) where: Base-Base interactions energy: -1226.594 where: short stacking energy: -511.733 Base-Backbone interact. energy: -2.344 local terms energy: -527.940798 where: bonds (distance) C4'-P energy: -88.479 bonds (distance) P-C4' energy: -91.251 flat angles C4'-P-C4' energy: -109.784 flat angles P-C4'-P energy: -74.723 tors. eta vs tors. theta energy: -163.704 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: 1 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1693.823610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.823610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.823610 (E_RNA) where: Base-Base interactions energy: -1190.325 where: short stacking energy: -499.268 Base-Backbone interact. energy: -0.752 local terms energy: -502.746896 where: bonds (distance) C4'-P energy: -77.842 bonds (distance) P-C4' energy: -86.041 flat angles C4'-P-C4' energy: -108.931 flat angles P-C4'-P energy: -72.829 tors. eta vs tors. theta energy: -157.105 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: 5, replica: 8 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1609.926441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.926441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.926441 (E_RNA) where: Base-Base interactions energy: -1144.210 where: short stacking energy: -475.034 Base-Backbone interact. energy: -1.700 local terms energy: -464.016519 where: bonds (distance) C4'-P energy: -58.328 bonds (distance) P-C4' energy: -94.421 flat angles C4'-P-C4' energy: -98.836 flat angles P-C4'-P energy: -72.255 tors. eta vs tors. theta energy: -140.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1472.408435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.408435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.408435 (E_RNA) where: Base-Base interactions energy: -1012.829 where: short stacking energy: -413.640 Base-Backbone interact. energy: 1.219 local terms energy: -460.797689 where: bonds (distance) C4'-P energy: -75.088 bonds (distance) P-C4' energy: -91.671 flat angles C4'-P-C4' energy: -94.335 flat angles P-C4'-P energy: -80.353 tors. eta vs tors. theta energy: -119.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1365.878039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.878039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.878039 (E_RNA) where: Base-Base interactions energy: -947.407 where: short stacking energy: -386.662 Base-Backbone interact. energy: -1.270 local terms energy: -417.200593 where: bonds (distance) C4'-P energy: -64.689 bonds (distance) P-C4' energy: -75.448 flat angles C4'-P-C4' energy: -92.578 flat angles P-C4'-P energy: -70.914 tors. eta vs tors. theta energy: -113.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1232.544069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.544069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.544069 (E_RNA) where: Base-Base interactions energy: -843.337 where: short stacking energy: -360.306 Base-Backbone interact. energy: -0.858 local terms energy: -388.348494 where: bonds (distance) C4'-P energy: -60.019 bonds (distance) P-C4' energy: -80.857 flat angles C4'-P-C4' energy: -95.042 flat angles P-C4'-P energy: -52.684 tors. eta vs tors. theta energy: -99.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -1163.412384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.412384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.412384 (E_RNA) where: Base-Base interactions energy: -801.673 where: short stacking energy: -318.012 Base-Backbone interact. energy: 2.883 local terms energy: -364.622992 where: bonds (distance) C4'-P energy: -67.356 bonds (distance) P-C4' energy: -77.131 flat angles C4'-P-C4' energy: -90.237 flat angles P-C4'-P energy: -54.263 tors. eta vs tors. theta energy: -75.636 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: 7 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -887.617805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.617805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.617805 (E_RNA) where: Base-Base interactions energy: -559.443 where: short stacking energy: -242.598 Base-Backbone interact. energy: 2.934 local terms energy: -331.108760 where: bonds (distance) C4'-P energy: -78.085 bonds (distance) P-C4' energy: -84.106 flat angles C4'-P-C4' energy: -71.033 flat angles P-C4'-P energy: -38.937 tors. eta vs tors. theta energy: -58.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1887.045934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.045934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.045934 (E_RNA) where: Base-Base interactions energy: -1342.277 where: short stacking energy: -517.279 Base-Backbone interact. energy: -0.885 local terms energy: -543.883408 where: bonds (distance) C4'-P energy: -89.682 bonds (distance) P-C4' energy: -107.543 flat angles C4'-P-C4' energy: -108.201 flat angles P-C4'-P energy: -74.281 tors. eta vs tors. theta energy: -164.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1863.692803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.692803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.692803 (E_RNA) where: Base-Base interactions energy: -1310.469 where: short stacking energy: -517.613 Base-Backbone interact. energy: -1.379 local terms energy: -551.844215 where: bonds (distance) C4'-P energy: -95.858 bonds (distance) P-C4' energy: -104.825 flat angles C4'-P-C4' energy: -117.039 flat angles P-C4'-P energy: -80.645 tors. eta vs tors. theta energy: -153.477 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: 3 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1771.671245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.671245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.671245 (E_RNA) where: Base-Base interactions energy: -1241.915 where: short stacking energy: -502.477 Base-Backbone interact. energy: -0.954 local terms energy: -528.802974 where: bonds (distance) C4'-P energy: -89.822 bonds (distance) P-C4' energy: -90.276 flat angles C4'-P-C4' energy: -108.294 flat angles P-C4'-P energy: -78.561 tors. eta vs tors. theta energy: -161.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1686.454238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.454238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.454238 (E_RNA) where: Base-Base interactions energy: -1175.892 where: short stacking energy: -483.581 Base-Backbone interact. energy: -1.742 local terms energy: -508.820083 where: bonds (distance) C4'-P energy: -81.468 bonds (distance) P-C4' energy: -88.672 flat angles C4'-P-C4' energy: -103.306 flat angles P-C4'-P energy: -78.613 tors. eta vs tors. theta energy: -156.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1608.134679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.134679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.134679 (E_RNA) where: Base-Base interactions energy: -1107.998 where: short stacking energy: -446.137 Base-Backbone interact. energy: -1.682 local terms energy: -498.454953 where: bonds (distance) C4'-P energy: -93.187 bonds (distance) P-C4' energy: -102.447 flat angles C4'-P-C4' energy: -100.425 flat angles P-C4'-P energy: -61.064 tors. eta vs tors. theta energy: -141.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1444.910322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.910322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.910322 (E_RNA) where: Base-Base interactions energy: -986.000 where: short stacking energy: -398.441 Base-Backbone interact. energy: -0.857 local terms energy: -458.053372 where: bonds (distance) C4'-P energy: -87.926 bonds (distance) P-C4' energy: -92.446 flat angles C4'-P-C4' energy: -94.536 flat angles P-C4'-P energy: -70.170 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: 7, replica: 6 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1360.724204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.724204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.724204 (E_RNA) where: Base-Base interactions energy: -915.677 where: short stacking energy: -370.151 Base-Backbone interact. energy: -1.298 local terms energy: -443.749407 where: bonds (distance) C4'-P energy: -90.433 bonds (distance) P-C4' energy: -91.631 flat angles C4'-P-C4' energy: -95.322 flat angles P-C4'-P energy: -63.358 tors. eta vs tors. theta energy: -103.007 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: 2 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1239.867286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.867286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.867286 (E_RNA) where: Base-Base interactions energy: -860.924 where: short stacking energy: -349.691 Base-Backbone interact. energy: 15.393 local terms energy: -394.336230 where: bonds (distance) C4'-P energy: -76.615 bonds (distance) P-C4' energy: -91.576 flat angles C4'-P-C4' energy: -81.032 flat angles P-C4'-P energy: -59.538 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: 9, replica: 10 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -1136.521067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.521067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.521067 (E_RNA) where: Base-Base interactions energy: -786.182 where: short stacking energy: -325.677 Base-Backbone interact. energy: -0.392 local terms energy: -349.947055 where: bonds (distance) C4'-P energy: -84.767 bonds (distance) P-C4' energy: -70.302 flat angles C4'-P-C4' energy: -83.156 flat angles P-C4'-P energy: -44.969 tors. eta vs tors. theta energy: -66.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -896.268779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.268779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.268779 (E_RNA) where: Base-Base interactions energy: -559.895 where: short stacking energy: -245.618 Base-Backbone interact. energy: -2.207 local terms energy: -334.166559 where: bonds (distance) C4'-P energy: -81.503 bonds (distance) P-C4' energy: -75.332 flat angles C4'-P-C4' energy: -75.182 flat angles P-C4'-P energy: -49.324 tors. eta vs tors. theta energy: -52.825 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: 412 Temperature: 0.900000 Total energy: -1875.177907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.177907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.177907 (E_RNA) where: Base-Base interactions energy: -1326.375 where: short stacking energy: -521.152 Base-Backbone interact. energy: -1.583 local terms energy: -547.220150 where: bonds (distance) C4'-P energy: -85.771 bonds (distance) P-C4' energy: -108.024 flat angles C4'-P-C4' energy: -116.568 flat angles P-C4'-P energy: -77.675 tors. eta vs tors. theta energy: -159.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1869.085288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.085288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.085288 (E_RNA) where: Base-Base interactions energy: -1342.688 where: short stacking energy: -527.397 Base-Backbone interact. energy: -0.581 local terms energy: -525.816386 where: bonds (distance) C4'-P energy: -89.490 bonds (distance) P-C4' energy: -93.684 flat angles C4'-P-C4' energy: -108.097 flat angles P-C4'-P energy: -74.564 tors. eta vs tors. theta energy: -159.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1750.313592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.313592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.313592 (E_RNA) where: Base-Base interactions energy: -1233.524 where: short stacking energy: -499.003 Base-Backbone interact. energy: -1.642 local terms energy: -515.147011 where: bonds (distance) C4'-P energy: -90.947 bonds (distance) P-C4' energy: -86.863 flat angles C4'-P-C4' energy: -108.864 flat angles P-C4'-P energy: -73.359 tors. eta vs tors. theta energy: -155.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -1702.723534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.723534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.723534 (E_RNA) where: Base-Base interactions energy: -1191.904 where: short stacking energy: -479.475 Base-Backbone interact. energy: -2.175 local terms energy: -508.644902 where: bonds (distance) C4'-P energy: -87.993 bonds (distance) P-C4' energy: -91.452 flat angles C4'-P-C4' energy: -106.516 flat angles P-C4'-P energy: -69.653 tors. eta vs tors. theta energy: -153.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -1608.900766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.900766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.900766 (E_RNA) where: Base-Base interactions energy: -1126.270 where: short stacking energy: -452.978 Base-Backbone interact. energy: -2.471 local terms energy: -480.160506 where: bonds (distance) C4'-P energy: -89.574 bonds (distance) P-C4' energy: -81.122 flat angles C4'-P-C4' energy: -95.880 flat angles P-C4'-P energy: -70.084 tors. eta vs tors. theta energy: -143.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1446.143695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.143695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.143695 (E_RNA) where: Base-Base interactions energy: -1006.724 where: short stacking energy: -407.179 Base-Backbone interact. energy: -1.418 local terms energy: -438.002360 where: bonds (distance) C4'-P energy: -81.913 bonds (distance) P-C4' energy: -83.524 flat angles C4'-P-C4' energy: -99.869 flat angles P-C4'-P energy: -65.325 tors. eta vs tors. theta energy: -107.372 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: 6 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1342.868227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.868227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.868227 (E_RNA) where: Base-Base interactions energy: -896.507 where: short stacking energy: -371.971 Base-Backbone interact. energy: 1.424 local terms energy: -447.786009 where: bonds (distance) C4'-P energy: -79.536 bonds (distance) P-C4' energy: -83.995 flat angles C4'-P-C4' energy: -95.846 flat angles P-C4'-P energy: -74.696 tors. eta vs tors. theta energy: -113.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1322.312534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.312534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.312534 (E_RNA) where: Base-Base interactions energy: -916.622 where: short stacking energy: -371.874 Base-Backbone interact. energy: -0.468 local terms energy: -405.222195 where: bonds (distance) C4'-P energy: -74.625 bonds (distance) P-C4' energy: -85.442 flat angles C4'-P-C4' energy: -81.913 flat angles P-C4'-P energy: -63.759 tors. eta vs tors. theta energy: -99.483 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: 10 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -1170.443694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.443694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.443694 (E_RNA) where: Base-Base interactions energy: -797.490 where: short stacking energy: -355.412 Base-Backbone interact. energy: 3.095 local terms energy: -376.048770 where: bonds (distance) C4'-P energy: -64.242 bonds (distance) P-C4' energy: -77.493 flat angles C4'-P-C4' energy: -80.924 flat angles P-C4'-P energy: -53.501 tors. eta vs tors. theta energy: -99.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -912.810753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.810753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.810753 (E_RNA) where: Base-Base interactions energy: -590.320 where: short stacking energy: -244.960 Base-Backbone interact. energy: 0.196 local terms energy: -322.686791 where: bonds (distance) C4'-P energy: -78.863 bonds (distance) P-C4' energy: -75.533 flat angles C4'-P-C4' energy: -81.323 flat angles P-C4'-P energy: -46.393 tors. eta vs tors. theta energy: -40.575 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: 9 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1864.512662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.512662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.512662 (E_RNA) where: Base-Base interactions energy: -1321.317 where: short stacking energy: -506.618 Base-Backbone interact. energy: -1.438 local terms energy: -541.756945 where: bonds (distance) C4'-P energy: -98.119 bonds (distance) P-C4' energy: -100.537 flat angles C4'-P-C4' energy: -116.248 flat angles P-C4'-P energy: -71.826 tors. eta vs tors. theta energy: -155.026 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: 4 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1873.694844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.694844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.694844 (E_RNA) where: Base-Base interactions energy: -1322.015 where: short stacking energy: -523.668 Base-Backbone interact. energy: -1.394 local terms energy: -550.285759 where: bonds (distance) C4'-P energy: -103.742 bonds (distance) P-C4' energy: -100.667 flat angles C4'-P-C4' energy: -113.464 flat angles P-C4'-P energy: -76.044 tors. eta vs tors. theta energy: -156.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1783.580056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.580056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.580056 (E_RNA) where: Base-Base interactions energy: -1245.449 where: short stacking energy: -517.970 Base-Backbone interact. energy: -2.190 local terms energy: -535.941131 where: bonds (distance) C4'-P energy: -91.734 bonds (distance) P-C4' energy: -104.572 flat angles C4'-P-C4' energy: -105.389 flat angles P-C4'-P energy: -74.119 tors. eta vs tors. theta energy: -160.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1709.466184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.466184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.466184 (E_RNA) where: Base-Base interactions energy: -1198.156 where: short stacking energy: -471.465 Base-Backbone interact. energy: -1.143 local terms energy: -510.166754 where: bonds (distance) C4'-P energy: -95.362 bonds (distance) P-C4' energy: -98.213 flat angles C4'-P-C4' energy: -103.673 flat angles P-C4'-P energy: -66.027 tors. eta vs tors. theta energy: -146.892 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: 8 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1623.592811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.592811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.592811 (E_RNA) where: Base-Base interactions energy: -1145.768 where: short stacking energy: -468.368 Base-Backbone interact. energy: -2.206 local terms energy: -475.618596 where: bonds (distance) C4'-P energy: -76.986 bonds (distance) P-C4' energy: -84.516 flat angles C4'-P-C4' energy: -105.733 flat angles P-C4'-P energy: -61.844 tors. eta vs tors. theta energy: -146.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1438.811667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.811667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.811667 (E_RNA) where: Base-Base interactions energy: -998.213 where: short stacking energy: -413.090 Base-Backbone interact. energy: 2.067 local terms energy: -442.665656 where: bonds (distance) C4'-P energy: -86.840 bonds (distance) P-C4' energy: -86.110 flat angles C4'-P-C4' energy: -95.663 flat angles P-C4'-P energy: -57.820 tors. eta vs tors. theta energy: -116.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1345.162135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.162135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.162135 (E_RNA) where: Base-Base interactions energy: -913.127 where: short stacking energy: -366.850 Base-Backbone interact. energy: 1.130 local terms energy: -433.165047 where: bonds (distance) C4'-P energy: -91.201 bonds (distance) P-C4' energy: -82.802 flat angles C4'-P-C4' energy: -95.743 flat angles P-C4'-P energy: -57.016 tors. eta vs tors. theta energy: -106.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1347.345461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.345461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.345461 (E_RNA) where: Base-Base interactions energy: -919.711 where: short stacking energy: -380.196 Base-Backbone interact. energy: -1.982 local terms energy: -425.652269 where: bonds (distance) C4'-P energy: -81.691 bonds (distance) P-C4' energy: -86.229 flat angles C4'-P-C4' energy: -83.616 flat angles P-C4'-P energy: -64.969 tors. eta vs tors. theta energy: -109.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -1176.708313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.708313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.708313 (E_RNA) where: Base-Base interactions energy: -794.492 where: short stacking energy: -336.559 Base-Backbone interact. energy: -0.282 local terms energy: -381.933757 where: bonds (distance) C4'-P energy: -88.092 bonds (distance) P-C4' energy: -73.973 flat angles C4'-P-C4' energy: -86.398 flat angles P-C4'-P energy: -44.285 tors. eta vs tors. theta energy: -89.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -958.687699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.687699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.687699 (E_RNA) where: Base-Base interactions energy: -607.585 where: short stacking energy: -268.647 Base-Backbone interact. energy: 0.862 local terms energy: -351.964862 where: bonds (distance) C4'-P energy: -93.768 bonds (distance) P-C4' energy: -77.915 flat angles C4'-P-C4' energy: -67.415 flat angles P-C4'-P energy: -48.018 tors. eta vs tors. theta energy: -64.848 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: 9 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1876.507241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.507241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.507241 (E_RNA) where: Base-Base interactions energy: -1336.965 where: short stacking energy: -529.276 Base-Backbone interact. energy: -2.645 local terms energy: -536.896722 where: bonds (distance) C4'-P energy: -97.089 bonds (distance) P-C4' energy: -95.270 flat angles C4'-P-C4' energy: -111.521 flat angles P-C4'-P energy: -78.121 tors. eta vs tors. theta energy: -154.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1869.931696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.931696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.931696 (E_RNA) where: Base-Base interactions energy: -1333.987 where: short stacking energy: -525.823 Base-Backbone interact. energy: -0.898 local terms energy: -535.046282 where: bonds (distance) C4'-P energy: -88.739 bonds (distance) P-C4' energy: -96.528 flat angles C4'-P-C4' energy: -108.149 flat angles P-C4'-P energy: -77.197 tors. eta vs tors. theta energy: -164.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1777.915101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.915101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.915101 (E_RNA) where: Base-Base interactions energy: -1243.243 where: short stacking energy: -532.962 Base-Backbone interact. energy: -0.920 local terms energy: -533.751557 where: bonds (distance) C4'-P energy: -84.009 bonds (distance) P-C4' energy: -98.199 flat angles C4'-P-C4' energy: -114.109 flat angles P-C4'-P energy: -77.184 tors. eta vs tors. theta energy: -160.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1722.370641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.370641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.370641 (E_RNA) where: Base-Base interactions energy: -1192.946 where: short stacking energy: -498.078 Base-Backbone interact. energy: -3.827 local terms energy: -525.597970 where: bonds (distance) C4'-P energy: -106.278 bonds (distance) P-C4' energy: -88.305 flat angles C4'-P-C4' energy: -103.441 flat angles P-C4'-P energy: -74.563 tors. eta vs tors. theta energy: -153.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -1585.378240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.378240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.378240 (E_RNA) where: Base-Base interactions energy: -1110.239 where: short stacking energy: -459.583 Base-Backbone interact. energy: -0.253 local terms energy: -474.886155 where: bonds (distance) C4'-P energy: -71.608 bonds (distance) P-C4' energy: -85.018 flat angles C4'-P-C4' energy: -104.452 flat angles P-C4'-P energy: -70.828 tors. eta vs tors. theta energy: -142.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -1452.482400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.482400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.482400 (E_RNA) where: Base-Base interactions energy: -1014.080 where: short stacking energy: -401.009 Base-Backbone interact. energy: -0.315 local terms energy: -438.087547 where: bonds (distance) C4'-P energy: -65.463 bonds (distance) P-C4' energy: -98.408 flat angles C4'-P-C4' energy: -94.589 flat angles P-C4'-P energy: -67.834 tors. eta vs tors. theta energy: -111.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1364.291018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.291018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.291018 (E_RNA) where: Base-Base interactions energy: -965.580 where: short stacking energy: -371.196 Base-Backbone interact. energy: 3.074 local terms energy: -401.784551 where: bonds (distance) C4'-P energy: -78.525 bonds (distance) P-C4' energy: -80.637 flat angles C4'-P-C4' energy: -80.449 flat angles P-C4'-P energy: -60.919 tors. eta vs tors. theta energy: -101.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1329.246581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.246581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.246581 (E_RNA) where: Base-Base interactions energy: -936.331 where: short stacking energy: -385.583 Base-Backbone interact. energy: -0.849 local terms energy: -392.066773 where: bonds (distance) C4'-P energy: -72.317 bonds (distance) P-C4' energy: -71.697 flat angles C4'-P-C4' energy: -79.543 flat angles P-C4'-P energy: -57.473 tors. eta vs tors. theta energy: -111.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -1146.989102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.989102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.989102 (E_RNA) where: Base-Base interactions energy: -759.059 where: short stacking energy: -330.954 Base-Backbone interact. energy: -0.669 local terms energy: -387.261690 where: bonds (distance) C4'-P energy: -78.589 bonds (distance) P-C4' energy: -87.512 flat angles C4'-P-C4' energy: -81.650 flat angles P-C4'-P energy: -47.079 tors. eta vs tors. theta energy: -92.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -910.713010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.713010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.713010 (E_RNA) where: Base-Base interactions energy: -595.329 where: short stacking energy: -254.081 Base-Backbone interact. energy: -1.120 local terms energy: -314.263810 where: bonds (distance) C4'-P energy: -80.528 bonds (distance) P-C4' energy: -67.471 flat angles C4'-P-C4' energy: -71.224 flat angles P-C4'-P energy: -48.885 tors. eta vs tors. theta energy: -46.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1875.784165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.784165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.784165 (E_RNA) where: Base-Base interactions energy: -1330.204 where: short stacking energy: -536.712 Base-Backbone interact. energy: -0.285 local terms energy: -545.295744 where: bonds (distance) C4'-P energy: -97.400 bonds (distance) P-C4' energy: -100.887 flat angles C4'-P-C4' energy: -113.267 flat angles P-C4'-P energy: -72.794 tors. eta vs tors. theta energy: -160.947 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: 4 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1889.105372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.105372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.105372 (E_RNA) where: Base-Base interactions energy: -1348.408 where: short stacking energy: -539.979 Base-Backbone interact. energy: 0.386 local terms energy: -541.083113 where: bonds (distance) C4'-P energy: -96.247 bonds (distance) P-C4' energy: -83.777 flat angles C4'-P-C4' energy: -111.243 flat angles P-C4'-P energy: -81.862 tors. eta vs tors. theta energy: -167.954 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: 3 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1743.378882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.378882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.378882 (E_RNA) where: Base-Base interactions energy: -1223.349 where: short stacking energy: -506.159 Base-Backbone interact. energy: -0.190 local terms energy: -519.840489 where: bonds (distance) C4'-P energy: -81.534 bonds (distance) P-C4' energy: -92.241 flat angles C4'-P-C4' energy: -113.751 flat angles P-C4'-P energy: -70.614 tors. eta vs tors. theta energy: -161.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1664.381108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.381108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.381108 (E_RNA) where: Base-Base interactions energy: -1157.604 where: short stacking energy: -466.526 Base-Backbone interact. energy: 0.256 local terms energy: -507.032811 where: bonds (distance) C4'-P energy: -85.973 bonds (distance) P-C4' energy: -98.889 flat angles C4'-P-C4' energy: -98.623 flat angles P-C4'-P energy: -76.295 tors. eta vs tors. theta energy: -147.252 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: 8 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -1594.277697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.277697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.277697 (E_RNA) where: Base-Base interactions energy: -1159.202 where: short stacking energy: -466.708 Base-Backbone interact. energy: 0.783 local terms energy: -435.858368 where: bonds (distance) C4'-P energy: -77.558 bonds (distance) P-C4' energy: -61.053 flat angles C4'-P-C4' energy: -93.730 flat angles P-C4'-P energy: -63.593 tors. eta vs tors. theta energy: -139.924 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: 5 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -1472.643162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.643162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.643162 (E_RNA) where: Base-Base interactions energy: -1017.518 where: short stacking energy: -419.283 Base-Backbone interact. energy: -1.517 local terms energy: -453.608212 where: bonds (distance) C4'-P energy: -86.349 bonds (distance) P-C4' energy: -86.772 flat angles C4'-P-C4' energy: -99.620 flat angles P-C4'-P energy: -64.983 tors. eta vs tors. theta energy: -115.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1377.065292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.065292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.065292 (E_RNA) where: Base-Base interactions energy: -928.820 where: short stacking energy: -394.042 Base-Backbone interact. energy: 1.553 local terms energy: -449.798313 where: bonds (distance) C4'-P energy: -73.583 bonds (distance) P-C4' energy: -98.613 flat angles C4'-P-C4' energy: -98.657 flat angles P-C4'-P energy: -60.499 tors. eta vs tors. theta energy: -118.446 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: 2 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1354.447698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.447698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.447698 (E_RNA) where: Base-Base interactions energy: -921.594 where: short stacking energy: -376.223 Base-Backbone interact. energy: -3.103 local terms energy: -429.750703 where: bonds (distance) C4'-P energy: -83.938 bonds (distance) P-C4' energy: -81.925 flat angles C4'-P-C4' energy: -86.245 flat angles P-C4'-P energy: -69.472 tors. eta vs tors. theta energy: -108.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -1172.695949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.695949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.695949 (E_RNA) where: Base-Base interactions energy: -781.646 where: short stacking energy: -329.231 Base-Backbone interact. energy: -0.640 local terms energy: -390.410134 where: bonds (distance) C4'-P energy: -88.357 bonds (distance) P-C4' energy: -88.492 flat angles C4'-P-C4' energy: -86.261 flat angles P-C4'-P energy: -49.271 tors. eta vs tors. theta energy: -78.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -908.081634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.081634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.081634 (E_RNA) where: Base-Base interactions energy: -575.586 where: short stacking energy: -268.238 Base-Backbone interact. energy: -2.094 local terms energy: -330.401437 where: bonds (distance) C4'-P energy: -76.180 bonds (distance) P-C4' energy: -75.536 flat angles C4'-P-C4' energy: -71.728 flat angles P-C4'-P energy: -51.347 tors. eta vs tors. theta energy: -55.611 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: 4 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1903.539352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.539352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.539352 (E_RNA) where: Base-Base interactions energy: -1376.246 where: short stacking energy: -536.692 Base-Backbone interact. energy: -1.138 local terms energy: -526.155272 where: bonds (distance) C4'-P energy: -89.640 bonds (distance) P-C4' energy: -88.407 flat angles C4'-P-C4' energy: -112.317 flat angles P-C4'-P energy: -76.050 tors. eta vs tors. theta energy: -159.741 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: 9 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1839.061937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.061937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.061937 (E_RNA) where: Base-Base interactions energy: -1305.666 where: short stacking energy: -515.371 Base-Backbone interact. energy: -2.410 local terms energy: -530.986676 where: bonds (distance) C4'-P energy: -95.924 bonds (distance) P-C4' energy: -94.203 flat angles C4'-P-C4' energy: -110.457 flat angles P-C4'-P energy: -72.054 tors. eta vs tors. theta energy: -158.349 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: 3 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -1726.860963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.860963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.860963 (E_RNA) where: Base-Base interactions energy: -1227.691 where: short stacking energy: -491.448 Base-Backbone interact. energy: 0.162 local terms energy: -499.331357 where: bonds (distance) C4'-P energy: -93.168 bonds (distance) P-C4' energy: -89.338 flat angles C4'-P-C4' energy: -98.840 flat angles P-C4'-P energy: -63.848 tors. eta vs tors. theta energy: -154.138 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: 1 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -1706.524991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.524991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.524991 (E_RNA) where: Base-Base interactions energy: -1173.936 where: short stacking energy: -488.097 Base-Backbone interact. energy: -0.167 local terms energy: -532.421648 where: bonds (distance) C4'-P energy: -91.137 bonds (distance) P-C4' energy: -99.343 flat angles C4'-P-C4' energy: -110.183 flat angles P-C4'-P energy: -75.977 tors. eta vs tors. theta energy: -155.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -1619.726839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.726839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.726839 (E_RNA) where: Base-Base interactions energy: -1115.092 where: short stacking energy: -452.796 Base-Backbone interact. energy: -1.686 local terms energy: -502.948576 where: bonds (distance) C4'-P energy: -89.478 bonds (distance) P-C4' energy: -83.846 flat angles C4'-P-C4' energy: -112.509 flat angles P-C4'-P energy: -74.321 tors. eta vs tors. theta energy: -142.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1434.234559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.234559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.234559 (E_RNA) where: Base-Base interactions energy: -988.172 where: short stacking energy: -404.615 Base-Backbone interact. energy: -1.928 local terms energy: -444.134187 where: bonds (distance) C4'-P energy: -88.470 bonds (distance) P-C4' energy: -80.969 flat angles C4'-P-C4' energy: -98.775 flat angles P-C4'-P energy: -62.682 tors. eta vs tors. theta energy: -113.238 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: 2 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1372.670935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.670935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.670935 (E_RNA) where: Base-Base interactions energy: -959.747 where: short stacking energy: -372.995 Base-Backbone interact. energy: -0.559 local terms energy: -412.365086 where: bonds (distance) C4'-P energy: -73.379 bonds (distance) P-C4' energy: -85.408 flat angles C4'-P-C4' energy: -97.014 flat angles P-C4'-P energy: -53.867 tors. eta vs tors. theta energy: -102.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1279.401841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.401841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.401841 (E_RNA) where: Base-Base interactions energy: -859.820 where: short stacking energy: -349.006 Base-Backbone interact. energy: -0.935 local terms energy: -418.646936 where: bonds (distance) C4'-P energy: -73.139 bonds (distance) P-C4' energy: -82.762 flat angles C4'-P-C4' energy: -95.994 flat angles P-C4'-P energy: -64.129 tors. eta vs tors. theta energy: -102.623 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: 10 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -1145.733653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.733653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.733653 (E_RNA) where: Base-Base interactions energy: -778.120 where: short stacking energy: -317.132 Base-Backbone interact. energy: -1.229 local terms energy: -366.384389 where: bonds (distance) C4'-P energy: -74.567 bonds (distance) P-C4' energy: -85.092 flat angles C4'-P-C4' energy: -97.885 flat angles P-C4'-P energy: -44.217 tors. eta vs tors. theta energy: -64.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -906.291134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.291134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.291134 (E_RNA) where: Base-Base interactions energy: -556.282 where: short stacking energy: -240.422 Base-Backbone interact. energy: 0.693 local terms energy: -350.702000 where: bonds (distance) C4'-P energy: -74.992 bonds (distance) P-C4' energy: -82.224 flat angles C4'-P-C4' energy: -85.061 flat angles P-C4'-P energy: -56.691 tors. eta vs tors. theta energy: -51.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1910.659430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.659430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.659430 (E_RNA) where: Base-Base interactions energy: -1381.371 where: short stacking energy: -554.177 Base-Backbone interact. energy: -0.979 local terms energy: -528.309888 where: bonds (distance) C4'-P energy: -93.071 bonds (distance) P-C4' energy: -86.693 flat angles C4'-P-C4' energy: -108.730 flat angles P-C4'-P energy: -69.088 tors. eta vs tors. theta energy: -170.728 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: 9 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1851.376576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.376576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.376576 (E_RNA) where: Base-Base interactions energy: -1306.900 where: short stacking energy: -527.727 Base-Backbone interact. energy: -1.977 local terms energy: -542.500319 where: bonds (distance) C4'-P energy: -92.284 bonds (distance) P-C4' energy: -96.762 flat angles C4'-P-C4' energy: -117.597 flat angles P-C4'-P energy: -74.018 tors. eta vs tors. theta energy: -161.839 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: 3 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1765.932272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.932272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.932272 (E_RNA) where: Base-Base interactions energy: -1228.959 where: short stacking energy: -516.173 Base-Backbone interact. energy: -1.667 local terms energy: -535.306143 where: bonds (distance) C4'-P energy: -86.151 bonds (distance) P-C4' energy: -94.267 flat angles C4'-P-C4' energy: -115.819 flat angles P-C4'-P energy: -72.931 tors. eta vs tors. theta energy: -166.138 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: 1 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1714.136283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.136283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.136283 (E_RNA) where: Base-Base interactions energy: -1203.038 where: short stacking energy: -483.510 Base-Backbone interact. energy: 0.635 local terms energy: -511.733586 where: bonds (distance) C4'-P energy: -90.940 bonds (distance) P-C4' energy: -94.039 flat angles C4'-P-C4' energy: -108.564 flat angles P-C4'-P energy: -66.255 tors. eta vs tors. theta energy: -151.936 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: 8 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -1647.248892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.248892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.248892 (E_RNA) where: Base-Base interactions energy: -1181.386 where: short stacking energy: -474.466 Base-Backbone interact. energy: -1.657 local terms energy: -464.205128 where: bonds (distance) C4'-P energy: -71.548 bonds (distance) P-C4' energy: -83.157 flat angles C4'-P-C4' energy: -95.090 flat angles P-C4'-P energy: -66.078 tors. eta vs tors. theta energy: -148.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1419.191176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.191176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.191176 (E_RNA) where: Base-Base interactions energy: -966.288 where: short stacking energy: -395.202 Base-Backbone interact. energy: -3.491 local terms energy: -449.411981 where: bonds (distance) C4'-P energy: -94.672 bonds (distance) P-C4' energy: -90.232 flat angles C4'-P-C4' energy: -91.643 flat angles P-C4'-P energy: -65.866 tors. eta vs tors. theta energy: -106.999 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: 5 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1406.765650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.765650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.765650 (E_RNA) where: Base-Base interactions energy: -978.246 where: short stacking energy: -389.534 Base-Backbone interact. energy: -1.731 local terms energy: -426.788061 where: bonds (distance) C4'-P energy: -78.316 bonds (distance) P-C4' energy: -85.424 flat angles C4'-P-C4' energy: -91.873 flat angles P-C4'-P energy: -64.970 tors. eta vs tors. theta energy: -106.205 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: 6 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1269.563913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.563913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.563913 (E_RNA) where: Base-Base interactions energy: -838.328 where: short stacking energy: -344.743 Base-Backbone interact. energy: -1.268 local terms energy: -429.968132 where: bonds (distance) C4'-P energy: -82.543 bonds (distance) P-C4' energy: -96.589 flat angles C4'-P-C4' energy: -86.868 flat angles P-C4'-P energy: -60.256 tors. eta vs tors. theta energy: -103.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -1111.434958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.434958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.434958 (E_RNA) where: Base-Base interactions energy: -761.506 where: short stacking energy: -317.968 Base-Backbone interact. energy: -0.886 local terms energy: -349.042992 where: bonds (distance) C4'-P energy: -66.320 bonds (distance) P-C4' energy: -66.613 flat angles C4'-P-C4' energy: -84.104 flat angles P-C4'-P energy: -54.774 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: 10, replica: 7 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -897.890190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.890190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.890190 (E_RNA) where: Base-Base interactions energy: -583.192 where: short stacking energy: -241.629 Base-Backbone interact. energy: -0.619 local terms energy: -314.078689 where: bonds (distance) C4'-P energy: -72.350 bonds (distance) P-C4' energy: -83.585 flat angles C4'-P-C4' energy: -79.979 flat angles P-C4'-P energy: -47.376 tors. eta vs tors. theta energy: -30.789 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: 4 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1925.181467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.181467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.181467 (E_RNA) where: Base-Base interactions energy: -1367.553 where: short stacking energy: -544.980 Base-Backbone interact. energy: -2.959 local terms energy: -554.669535 where: bonds (distance) C4'-P energy: -102.241 bonds (distance) P-C4' energy: -86.975 flat angles C4'-P-C4' energy: -114.017 flat angles P-C4'-P energy: -89.026 tors. eta vs tors. theta energy: -162.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1844.529505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.529505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.529505 (E_RNA) where: Base-Base interactions energy: -1321.652 where: short stacking energy: -526.374 Base-Backbone interact. energy: -0.403 local terms energy: -522.474721 where: bonds (distance) C4'-P energy: -83.277 bonds (distance) P-C4' energy: -90.192 flat angles C4'-P-C4' energy: -110.052 flat angles P-C4'-P energy: -75.910 tors. eta vs tors. theta energy: -163.043 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: 3, replica: 3 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1726.795455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.795455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.795455 (E_RNA) where: Base-Base interactions energy: -1223.183 where: short stacking energy: -501.935 Base-Backbone interact. energy: -1.919 local terms energy: -501.693406 where: bonds (distance) C4'-P energy: -94.775 bonds (distance) P-C4' energy: -87.013 flat angles C4'-P-C4' energy: -96.847 flat angles P-C4'-P energy: -67.009 tors. eta vs tors. theta energy: -156.049 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: 1 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1700.687644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.687644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.687644 (E_RNA) where: Base-Base interactions energy: -1198.642 where: short stacking energy: -492.401 Base-Backbone interact. energy: -1.271 local terms energy: -500.774867 where: bonds (distance) C4'-P energy: -84.199 bonds (distance) P-C4' energy: -91.533 flat angles C4'-P-C4' energy: -103.630 flat angles P-C4'-P energy: -71.840 tors. eta vs tors. theta energy: -149.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -1626.677421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.677421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.677421 (E_RNA) where: Base-Base interactions energy: -1123.427 where: short stacking energy: -451.996 Base-Backbone interact. energy: -1.135 local terms energy: -502.114732 where: bonds (distance) C4'-P energy: -94.980 bonds (distance) P-C4' energy: -82.699 flat angles C4'-P-C4' energy: -112.293 flat angles P-C4'-P energy: -71.494 tors. eta vs tors. theta energy: -140.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1401.285159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.285159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.285159 (E_RNA) where: Base-Base interactions energy: -965.237 where: short stacking energy: -394.278 Base-Backbone interact. energy: 1.923 local terms energy: -437.970981 where: bonds (distance) C4'-P energy: -95.289 bonds (distance) P-C4' energy: -87.465 flat angles C4'-P-C4' energy: -89.415 flat angles P-C4'-P energy: -67.287 tors. eta vs tors. theta energy: -98.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1427.692419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.692419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.692419 (E_RNA) where: Base-Base interactions energy: -983.691 where: short stacking energy: -406.261 Base-Backbone interact. energy: -1.901 local terms energy: -442.100466 where: bonds (distance) C4'-P energy: -75.296 bonds (distance) P-C4' energy: -71.825 flat angles C4'-P-C4' energy: -100.510 flat angles P-C4'-P energy: -73.134 tors. eta vs tors. theta energy: -121.335 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: 8, replica: 6 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1294.587438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.587438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.587438 (E_RNA) where: Base-Base interactions energy: -875.573 where: short stacking energy: -357.290 Base-Backbone interact. energy: -2.138 local terms energy: -416.876914 where: bonds (distance) C4'-P energy: -86.318 bonds (distance) P-C4' energy: -94.426 flat angles C4'-P-C4' energy: -76.951 flat angles P-C4'-P energy: -55.908 tors. eta vs tors. theta energy: -103.274 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: 10 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -1074.250540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.250540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.250540 (E_RNA) where: Base-Base interactions energy: -713.189 where: short stacking energy: -279.821 Base-Backbone interact. energy: -1.664 local terms energy: -359.398068 where: bonds (distance) C4'-P energy: -77.105 bonds (distance) P-C4' energy: -92.953 flat angles C4'-P-C4' energy: -70.562 flat angles P-C4'-P energy: -62.330 tors. eta vs tors. theta energy: -56.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -827.973013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.973013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.973013 (E_RNA) where: Base-Base interactions energy: -521.057 where: short stacking energy: -233.607 Base-Backbone interact. energy: 1.411 local terms energy: -308.326992 where: bonds (distance) C4'-P energy: -91.168 bonds (distance) P-C4' energy: -58.291 flat angles C4'-P-C4' energy: -79.137 flat angles P-C4'-P energy: -44.404 tors. eta vs tors. theta energy: -35.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1913.315024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.315024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.315024 (E_RNA) where: Base-Base interactions energy: -1363.064 where: short stacking energy: -534.673 Base-Backbone interact. energy: -1.905 local terms energy: -548.345995 where: bonds (distance) C4'-P energy: -98.053 bonds (distance) P-C4' energy: -92.150 flat angles C4'-P-C4' energy: -116.916 flat angles P-C4'-P energy: -75.918 tors. eta vs tors. theta energy: -165.309 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: 2, replica: 9 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1828.889444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.889444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.889444 (E_RNA) where: Base-Base interactions energy: -1311.520 where: short stacking energy: -527.733 Base-Backbone interact. energy: -0.414 local terms energy: -516.955504 where: bonds (distance) C4'-P energy: -82.392 bonds (distance) P-C4' energy: -94.284 flat angles C4'-P-C4' energy: -112.328 flat angles P-C4'-P energy: -75.639 tors. eta vs tors. theta energy: -152.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1750.745274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.745274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.745274 (E_RNA) where: Base-Base interactions energy: -1237.082 where: short stacking energy: -510.891 Base-Backbone interact. energy: 5.123 local terms energy: -518.786225 where: bonds (distance) C4'-P energy: -87.003 bonds (distance) P-C4' energy: -93.995 flat angles C4'-P-C4' energy: -108.792 flat angles P-C4'-P energy: -65.645 tors. eta vs tors. theta energy: -163.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -1685.032275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.032275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.032275 (E_RNA) where: Base-Base interactions energy: -1185.117 where: short stacking energy: -478.138 Base-Backbone interact. energy: -1.403 local terms energy: -498.511647 where: bonds (distance) C4'-P energy: -95.231 bonds (distance) P-C4' energy: -90.372 flat angles C4'-P-C4' energy: -95.924 flat angles P-C4'-P energy: -68.163 tors. eta vs tors. theta energy: -148.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -1609.663657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.663657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.663657 (E_RNA) where: Base-Base interactions energy: -1115.740 where: short stacking energy: -455.973 Base-Backbone interact. energy: 0.137 local terms energy: -494.060990 where: bonds (distance) C4'-P energy: -85.731 bonds (distance) P-C4' energy: -87.007 flat angles C4'-P-C4' energy: -103.445 flat angles P-C4'-P energy: -69.918 tors. eta vs tors. theta energy: -147.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1388.370275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.370275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.370275 (E_RNA) where: Base-Base interactions energy: -950.032 where: short stacking energy: -396.949 Base-Backbone interact. energy: -1.530 local terms energy: -436.807927 where: bonds (distance) C4'-P energy: -77.479 bonds (distance) P-C4' energy: -89.025 flat angles C4'-P-C4' energy: -99.708 flat angles P-C4'-P energy: -61.352 tors. eta vs tors. theta energy: -109.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1369.877790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.877790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.877790 (E_RNA) where: Base-Base interactions energy: -947.980 where: short stacking energy: -402.225 Base-Backbone interact. energy: -0.375 local terms energy: -421.522936 where: bonds (distance) C4'-P energy: -69.833 bonds (distance) P-C4' energy: -84.172 flat angles C4'-P-C4' energy: -90.034 flat angles P-C4'-P energy: -65.529 tors. eta vs tors. theta energy: -111.954 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: 6 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1298.156660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.156660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.156660 (E_RNA) where: Base-Base interactions energy: -859.684 where: short stacking energy: -363.164 Base-Backbone interact. energy: -1.756 local terms energy: -436.716724 where: bonds (distance) C4'-P energy: -83.013 bonds (distance) P-C4' energy: -91.949 flat angles C4'-P-C4' energy: -97.577 flat angles P-C4'-P energy: -60.361 tors. eta vs tors. theta energy: -103.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -1114.135912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.135912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.135912 (E_RNA) where: Base-Base interactions energy: -753.660 where: short stacking energy: -311.995 Base-Backbone interact. energy: 0.361 local terms energy: -360.836962 where: bonds (distance) C4'-P energy: -81.217 bonds (distance) P-C4' energy: -75.104 flat angles C4'-P-C4' energy: -84.684 flat angles P-C4'-P energy: -46.951 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: 10, replica: 7 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -854.979690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.979690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.979690 (E_RNA) where: Base-Base interactions energy: -550.836 where: short stacking energy: -227.163 Base-Backbone interact. energy: 6.477 local terms energy: -310.620463 where: bonds (distance) C4'-P energy: -73.502 bonds (distance) P-C4' energy: -72.703 flat angles C4'-P-C4' energy: -79.884 flat angles P-C4'-P energy: -46.674 tors. eta vs tors. theta energy: -37.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1922.832813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.832813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.832813 (E_RNA) where: Base-Base interactions energy: -1354.245 where: short stacking energy: -553.153 Base-Backbone interact. energy: -1.911 local terms energy: -566.676873 where: bonds (distance) C4'-P energy: -98.785 bonds (distance) P-C4' energy: -104.103 flat angles C4'-P-C4' energy: -114.581 flat angles P-C4'-P energy: -82.240 tors. eta vs tors. theta energy: -166.968 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: 2, replica: 9 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1819.708918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.708918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.708918 (E_RNA) where: Base-Base interactions energy: -1303.626 where: short stacking energy: -509.206 Base-Backbone interact. energy: -1.173 local terms energy: -514.910215 where: bonds (distance) C4'-P energy: -83.984 bonds (distance) P-C4' energy: -92.108 flat angles C4'-P-C4' energy: -106.438 flat angles P-C4'-P energy: -73.705 tors. eta vs tors. theta energy: -158.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1722.660035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.660035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.660035 (E_RNA) where: Base-Base interactions energy: -1201.253 where: short stacking energy: -498.003 Base-Backbone interact. energy: -1.231 local terms energy: -520.176187 where: bonds (distance) C4'-P energy: -88.678 bonds (distance) P-C4' energy: -98.922 flat angles C4'-P-C4' energy: -97.557 flat angles P-C4'-P energy: -82.213 tors. eta vs tors. theta energy: -152.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1707.131431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.131431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.131431 (E_RNA) where: Base-Base interactions energy: -1177.019 where: short stacking energy: -485.161 Base-Backbone interact. energy: 0.543 local terms energy: -530.656010 where: bonds (distance) C4'-P energy: -93.428 bonds (distance) P-C4' energy: -103.700 flat angles C4'-P-C4' energy: -109.273 flat angles P-C4'-P energy: -69.872 tors. eta vs tors. theta energy: -154.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -1606.892220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.892220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.892220 (E_RNA) where: Base-Base interactions energy: -1105.576 where: short stacking energy: -420.584 Base-Backbone interact. energy: -0.317 local terms energy: -500.999477 where: bonds (distance) C4'-P energy: -99.987 bonds (distance) P-C4' energy: -78.863 flat angles C4'-P-C4' energy: -113.820 flat angles P-C4'-P energy: -69.057 tors. eta vs tors. theta energy: -139.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1437.382535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.382535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.382535 (E_RNA) where: Base-Base interactions energy: -962.172 where: short stacking energy: -400.166 Base-Backbone interact. energy: 1.352 local terms energy: -476.563024 where: bonds (distance) C4'-P energy: -83.021 bonds (distance) P-C4' energy: -88.381 flat angles C4'-P-C4' energy: -100.974 flat angles P-C4'-P energy: -78.630 tors. eta vs tors. theta energy: -125.558 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: 2 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1373.950783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.950783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.950783 (E_RNA) where: Base-Base interactions energy: -954.407 where: short stacking energy: -393.431 Base-Backbone interact. energy: 1.435 local terms energy: -420.978731 where: bonds (distance) C4'-P energy: -68.448 bonds (distance) P-C4' energy: -87.763 flat angles C4'-P-C4' energy: -93.573 flat angles P-C4'-P energy: -64.029 tors. eta vs tors. theta energy: -107.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1269.805711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.805711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.805711 (E_RNA) where: Base-Base interactions energy: -846.795 where: short stacking energy: -344.751 Base-Backbone interact. energy: -0.768 local terms energy: -422.243120 where: bonds (distance) C4'-P energy: -85.192 bonds (distance) P-C4' energy: -76.981 flat angles C4'-P-C4' energy: -93.146 flat angles P-C4'-P energy: -70.481 tors. eta vs tors. theta energy: -96.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -1133.950141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.950141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.950141 (E_RNA) where: Base-Base interactions energy: -749.638 where: short stacking energy: -327.144 Base-Backbone interact. energy: -3.149 local terms energy: -381.163067 where: bonds (distance) C4'-P energy: -64.698 bonds (distance) P-C4' energy: -62.476 flat angles C4'-P-C4' energy: -96.819 flat angles P-C4'-P energy: -62.635 tors. eta vs tors. theta energy: -94.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -858.197755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.197755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.197755 (E_RNA) where: Base-Base interactions energy: -541.684 where: short stacking energy: -233.823 Base-Backbone interact. energy: 0.643 local terms energy: -317.156755 where: bonds (distance) C4'-P energy: -77.435 bonds (distance) P-C4' energy: -81.889 flat angles C4'-P-C4' energy: -74.525 flat angles P-C4'-P energy: -41.227 tors. eta vs tors. theta energy: -42.081 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: 4 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1910.987739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.987739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.987739 (E_RNA) where: Base-Base interactions energy: -1348.336 where: short stacking energy: -535.326 Base-Backbone interact. energy: 1.367 local terms energy: -564.019044 where: bonds (distance) C4'-P energy: -92.710 bonds (distance) P-C4' energy: -100.535 flat angles C4'-P-C4' energy: -122.178 flat angles P-C4'-P energy: -81.320 tors. eta vs tors. theta energy: -167.275 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: 421 Temperature: 0.950000 Total energy: -1821.663873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.663873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.663873 (E_RNA) where: Base-Base interactions energy: -1281.320 where: short stacking energy: -517.775 Base-Backbone interact. energy: -0.788 local terms energy: -539.555447 where: bonds (distance) C4'-P energy: -88.326 bonds (distance) P-C4' energy: -100.453 flat angles C4'-P-C4' energy: -111.394 flat angles P-C4'-P energy: -84.014 tors. eta vs tors. theta energy: -155.368 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: 1 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1711.432338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.432338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.432338 (E_RNA) where: Base-Base interactions energy: -1211.425 where: short stacking energy: -493.080 Base-Backbone interact. energy: -1.136 local terms energy: -498.871501 where: bonds (distance) C4'-P energy: -83.097 bonds (distance) P-C4' energy: -95.738 flat angles C4'-P-C4' energy: -95.586 flat angles P-C4'-P energy: -73.355 tors. eta vs tors. theta energy: -151.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -1694.554059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.554059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.554059 (E_RNA) where: Base-Base interactions energy: -1160.204 where: short stacking energy: -478.020 Base-Backbone interact. energy: -1.073 local terms energy: -533.276642 where: bonds (distance) C4'-P energy: -96.714 bonds (distance) P-C4' energy: -86.930 flat angles C4'-P-C4' energy: -108.258 flat angles P-C4'-P energy: -83.063 tors. eta vs tors. theta energy: -158.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -1667.061697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.061697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.061697 (E_RNA) where: Base-Base interactions energy: -1172.611 where: short stacking energy: -483.332 Base-Backbone interact. energy: -1.055 local terms energy: -493.395735 where: bonds (distance) C4'-P energy: -74.117 bonds (distance) P-C4' energy: -77.738 flat angles C4'-P-C4' energy: -108.253 flat angles P-C4'-P energy: -75.036 tors. eta vs tors. theta energy: -158.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1451.839718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.839718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.839718 (E_RNA) where: Base-Base interactions energy: -986.257 where: short stacking energy: -415.247 Base-Backbone interact. energy: -0.081 local terms energy: -465.501170 where: bonds (distance) C4'-P energy: -89.765 bonds (distance) P-C4' energy: -93.259 flat angles C4'-P-C4' energy: -107.485 flat angles P-C4'-P energy: -60.451 tors. eta vs tors. theta energy: -114.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1379.404929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.404929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.404929 (E_RNA) where: Base-Base interactions energy: -956.792 where: short stacking energy: -372.103 Base-Backbone interact. energy: 0.918 local terms energy: -423.531291 where: bonds (distance) C4'-P energy: -88.704 bonds (distance) P-C4' energy: -77.562 flat angles C4'-P-C4' energy: -92.211 flat angles P-C4'-P energy: -57.567 tors. eta vs tors. theta energy: -107.487 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: 6 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1275.448963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.448963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.448963 (E_RNA) where: Base-Base interactions energy: -872.254 where: short stacking energy: -376.632 Base-Backbone interact. energy: 1.741 local terms energy: -404.936867 where: bonds (distance) C4'-P energy: -89.696 bonds (distance) P-C4' energy: -59.360 flat angles C4'-P-C4' energy: -89.362 flat angles P-C4'-P energy: -56.914 tors. eta vs tors. theta energy: -109.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -1076.702422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.702422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.702422 (E_RNA) where: Base-Base interactions energy: -719.558 where: short stacking energy: -308.226 Base-Backbone interact. energy: 3.351 local terms energy: -360.495353 where: bonds (distance) C4'-P energy: -76.561 bonds (distance) P-C4' energy: -71.869 flat angles C4'-P-C4' energy: -93.856 flat angles P-C4'-P energy: -42.707 tors. eta vs tors. theta energy: -75.502 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: 7 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -809.680631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.680631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.680631 (E_RNA) where: Base-Base interactions energy: -505.739 where: short stacking energy: -228.286 Base-Backbone interact. energy: 2.804 local terms energy: -306.746032 where: bonds (distance) C4'-P energy: -80.130 bonds (distance) P-C4' energy: -75.143 flat angles C4'-P-C4' energy: -73.657 flat angles P-C4'-P energy: -37.754 tors. eta vs tors. theta energy: -40.062 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: 4 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1917.396416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.396416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.396416 (E_RNA) where: Base-Base interactions energy: -1346.628 where: short stacking energy: -539.384 Base-Backbone interact. energy: -1.481 local terms energy: -569.287339 where: bonds (distance) C4'-P energy: -91.584 bonds (distance) P-C4' energy: -102.481 flat angles C4'-P-C4' energy: -118.106 flat angles P-C4'-P energy: -87.356 tors. eta vs tors. theta energy: -169.760 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: 9 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1855.923548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.923548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.923548 (E_RNA) where: Base-Base interactions energy: -1328.233 where: short stacking energy: -521.108 Base-Backbone interact. energy: -1.011 local terms energy: -526.680138 where: bonds (distance) C4'-P energy: -95.191 bonds (distance) P-C4' energy: -100.238 flat angles C4'-P-C4' energy: -106.937 flat angles P-C4'-P energy: -69.378 tors. eta vs tors. theta energy: -154.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1712.888007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.888007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.888007 (E_RNA) where: Base-Base interactions energy: -1194.872 where: short stacking energy: -488.196 Base-Backbone interact. energy: -1.868 local terms energy: -516.147762 where: bonds (distance) C4'-P energy: -93.025 bonds (distance) P-C4' energy: -94.116 flat angles C4'-P-C4' energy: -101.056 flat angles P-C4'-P energy: -75.080 tors. eta vs tors. theta energy: -152.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -1685.387576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.387576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.387576 (E_RNA) where: Base-Base interactions energy: -1161.432 where: short stacking energy: -462.873 Base-Backbone interact. energy: -0.905 local terms energy: -523.050775 where: bonds (distance) C4'-P energy: -89.054 bonds (distance) P-C4' energy: -101.047 flat angles C4'-P-C4' energy: -108.482 flat angles P-C4'-P energy: -72.140 tors. eta vs tors. theta energy: -152.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1702.038161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.038161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.038161 (E_RNA) where: Base-Base interactions energy: -1173.308 where: short stacking energy: -476.088 Base-Backbone interact. energy: 1.593 local terms energy: -530.323140 where: bonds (distance) C4'-P energy: -103.886 bonds (distance) P-C4' energy: -94.973 flat angles C4'-P-C4' energy: -104.379 flat angles P-C4'-P energy: -77.000 tors. eta vs tors. theta energy: -150.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1458.705047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.705047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.705047 (E_RNA) where: Base-Base interactions energy: -1002.196 where: short stacking energy: -409.087 Base-Backbone interact. energy: -0.895 local terms energy: -455.614464 where: bonds (distance) C4'-P energy: -82.205 bonds (distance) P-C4' energy: -104.891 flat angles C4'-P-C4' energy: -96.760 flat angles P-C4'-P energy: -58.293 tors. eta vs tors. theta energy: -113.466 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: 2 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1395.415973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.415973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.415973 (E_RNA) where: Base-Base interactions energy: -961.338 where: short stacking energy: -397.526 Base-Backbone interact. energy: -1.080 local terms energy: -432.997957 where: bonds (distance) C4'-P energy: -69.972 bonds (distance) P-C4' energy: -82.777 flat angles C4'-P-C4' energy: -102.712 flat angles P-C4'-P energy: -64.353 tors. eta vs tors. theta energy: -113.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1258.195922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.195922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.195922 (E_RNA) where: Base-Base interactions energy: -848.041 where: short stacking energy: -368.372 Base-Backbone interact. energy: -0.779 local terms energy: -409.375395 where: bonds (distance) C4'-P energy: -79.820 bonds (distance) P-C4' energy: -75.828 flat angles C4'-P-C4' energy: -98.502 flat angles P-C4'-P energy: -55.034 tors. eta vs tors. theta energy: -100.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -1085.445083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.445083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.445083 (E_RNA) where: Base-Base interactions energy: -712.716 where: short stacking energy: -318.473 Base-Backbone interact. energy: 2.757 local terms energy: -375.486285 where: bonds (distance) C4'-P energy: -76.420 bonds (distance) P-C4' energy: -85.130 flat angles C4'-P-C4' energy: -89.174 flat angles P-C4'-P energy: -40.784 tors. eta vs tors. theta energy: -83.978 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: 422 Temperature: 1.350000 Total energy: -809.225046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.225046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.225046 (E_RNA) where: Base-Base interactions energy: -476.099 where: short stacking energy: -210.638 Base-Backbone interact. energy: 0.428 local terms energy: -333.554119 where: bonds (distance) C4'-P energy: -56.487 bonds (distance) P-C4' energy: -99.968 flat angles C4'-P-C4' energy: -84.183 flat angles P-C4'-P energy: -43.827 tors. eta vs tors. theta energy: -49.090 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: 4 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1913.252259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.252259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.252259 (E_RNA) where: Base-Base interactions energy: -1364.408 where: short stacking energy: -534.684 Base-Backbone interact. energy: -0.881 local terms energy: -547.963209 where: bonds (distance) C4'-P energy: -87.022 bonds (distance) P-C4' energy: -106.128 flat angles C4'-P-C4' energy: -111.672 flat angles P-C4'-P energy: -81.265 tors. eta vs tors. theta energy: -161.876 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: 9 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1856.182113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.182113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.182113 (E_RNA) where: Base-Base interactions energy: -1319.719 where: short stacking energy: -521.475 Base-Backbone interact. energy: -0.252 local terms energy: -536.211832 where: bonds (distance) C4'-P energy: -99.173 bonds (distance) P-C4' energy: -91.401 flat angles C4'-P-C4' energy: -101.936 flat angles P-C4'-P energy: -88.227 tors. eta vs tors. theta energy: -155.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1728.398946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.398946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.398946 (E_RNA) where: Base-Base interactions energy: -1220.698 where: short stacking energy: -508.511 Base-Backbone interact. energy: -0.118 local terms energy: -507.582824 where: bonds (distance) C4'-P energy: -83.750 bonds (distance) P-C4' energy: -96.313 flat angles C4'-P-C4' energy: -107.093 flat angles P-C4'-P energy: -67.183 tors. eta vs tors. theta energy: -153.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1682.586986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.586986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.586986 (E_RNA) where: Base-Base interactions energy: -1174.918 where: short stacking energy: -473.117 Base-Backbone interact. energy: 4.413 local terms energy: -512.082667 where: bonds (distance) C4'-P energy: -81.607 bonds (distance) P-C4' energy: -93.967 flat angles C4'-P-C4' energy: -108.985 flat angles P-C4'-P energy: -74.298 tors. eta vs tors. theta energy: -153.226 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: 3 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1646.410748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.410748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.410748 (E_RNA) where: Base-Base interactions energy: -1173.510 where: short stacking energy: -482.248 Base-Backbone interact. energy: 1.008 local terms energy: -473.908870 where: bonds (distance) C4'-P energy: -88.770 bonds (distance) P-C4' energy: -92.222 flat angles C4'-P-C4' energy: -96.497 flat angles P-C4'-P energy: -55.724 tors. eta vs tors. theta energy: -140.697 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: 5 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1434.868667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.868667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.868667 (E_RNA) where: Base-Base interactions energy: -973.323 where: short stacking energy: -409.463 Base-Backbone interact. energy: 0.453 local terms energy: -461.998651 where: bonds (distance) C4'-P energy: -70.378 bonds (distance) P-C4' energy: -91.747 flat angles C4'-P-C4' energy: -112.418 flat angles P-C4'-P energy: -67.888 tors. eta vs tors. theta energy: -119.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1445.677857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.677857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.677857 (E_RNA) where: Base-Base interactions energy: -998.459 where: short stacking energy: -419.654 Base-Backbone interact. energy: 3.416 local terms energy: -450.635601 where: bonds (distance) C4'-P energy: -82.523 bonds (distance) P-C4' energy: -76.899 flat angles C4'-P-C4' energy: -96.088 flat angles P-C4'-P energy: -73.046 tors. eta vs tors. theta energy: -122.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1308.614420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.614420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.614420 (E_RNA) where: Base-Base interactions energy: -891.108 where: short stacking energy: -349.180 Base-Backbone interact. energy: -1.559 local terms energy: -415.947473 where: bonds (distance) C4'-P energy: -76.814 bonds (distance) P-C4' energy: -75.202 flat angles C4'-P-C4' energy: -99.508 flat angles P-C4'-P energy: -60.741 tors. eta vs tors. theta energy: -103.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -1104.454552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.454552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.454552 (E_RNA) where: Base-Base interactions energy: -705.195 where: short stacking energy: -292.756 Base-Backbone interact. energy: 0.070 local terms energy: -399.329885 where: bonds (distance) C4'-P energy: -94.584 bonds (distance) P-C4' energy: -82.156 flat angles C4'-P-C4' energy: -83.149 flat angles P-C4'-P energy: -65.054 tors. eta vs tors. theta energy: -74.387 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: 7 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -803.672278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.672278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.672278 (E_RNA) where: Base-Base interactions energy: -493.145 where: short stacking energy: -218.089 Base-Backbone interact. energy: -1.234 local terms energy: -309.293502 where: bonds (distance) C4'-P energy: -65.113 bonds (distance) P-C4' energy: -78.264 flat angles C4'-P-C4' energy: -78.537 flat angles P-C4'-P energy: -49.984 tors. eta vs tors. theta energy: -37.395 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: 4 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1906.256212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.256212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.256212 (E_RNA) where: Base-Base interactions energy: -1361.647 where: short stacking energy: -535.818 Base-Backbone interact. energy: -1.196 local terms energy: -543.413876 where: bonds (distance) C4'-P energy: -95.475 bonds (distance) P-C4' energy: -101.501 flat angles C4'-P-C4' energy: -103.646 flat angles P-C4'-P energy: -76.445 tors. eta vs tors. theta energy: -166.346 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: 2, replica: 9 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1860.518119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.518119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.518119 (E_RNA) where: Base-Base interactions energy: -1331.499 where: short stacking energy: -517.832 Base-Backbone interact. energy: -2.237 local terms energy: -526.782149 where: bonds (distance) C4'-P energy: -93.238 bonds (distance) P-C4' energy: -95.642 flat angles C4'-P-C4' energy: -107.224 flat angles P-C4'-P energy: -75.771 tors. eta vs tors. theta energy: -154.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -1741.738299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.738299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.738299 (E_RNA) where: Base-Base interactions energy: -1202.248 where: short stacking energy: -482.121 Base-Backbone interact. energy: -1.962 local terms energy: -537.527717 where: bonds (distance) C4'-P energy: -92.395 bonds (distance) P-C4' energy: -96.252 flat angles C4'-P-C4' energy: -112.356 flat angles P-C4'-P energy: -73.745 tors. eta vs tors. theta energy: -162.779 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: 4, replica: 8 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1687.146062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.146062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.146062 (E_RNA) where: Base-Base interactions energy: -1178.591 where: short stacking energy: -473.461 Base-Backbone interact. energy: 0.590 local terms energy: -509.144445 where: bonds (distance) C4'-P energy: -87.893 bonds (distance) P-C4' energy: -88.166 flat angles C4'-P-C4' energy: -99.504 flat angles P-C4'-P energy: -77.683 tors. eta vs tors. theta energy: -155.898 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: 3 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -1676.238198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.238198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.238198 (E_RNA) where: Base-Base interactions energy: -1180.237 where: short stacking energy: -466.399 Base-Backbone interact. energy: -0.169 local terms energy: -495.832719 where: bonds (distance) C4'-P energy: -97.579 bonds (distance) P-C4' energy: -86.023 flat angles C4'-P-C4' energy: -105.006 flat angles P-C4'-P energy: -60.070 tors. eta vs tors. theta energy: -147.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1458.111283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.111283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.111283 (E_RNA) where: Base-Base interactions energy: -994.184 where: short stacking energy: -411.399 Base-Backbone interact. energy: -1.086 local terms energy: -462.840899 where: bonds (distance) C4'-P energy: -89.497 bonds (distance) P-C4' energy: -92.179 flat angles C4'-P-C4' energy: -88.482 flat angles P-C4'-P energy: -67.955 tors. eta vs tors. theta energy: -124.728 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: 2 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1481.407172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.407172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.407172 (E_RNA) where: Base-Base interactions energy: -1032.144 where: short stacking energy: -427.296 Base-Backbone interact. energy: 2.865 local terms energy: -452.128398 where: bonds (distance) C4'-P energy: -86.066 bonds (distance) P-C4' energy: -85.306 flat angles C4'-P-C4' energy: -89.231 flat angles P-C4'-P energy: -58.950 tors. eta vs tors. theta energy: -132.576 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: 6 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1313.976890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.976890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.976890 (E_RNA) where: Base-Base interactions energy: -903.462 where: short stacking energy: -370.918 Base-Backbone interact. energy: -0.251 local terms energy: -410.264584 where: bonds (distance) C4'-P energy: -72.215 bonds (distance) P-C4' energy: -71.361 flat angles C4'-P-C4' energy: -100.855 flat angles P-C4'-P energy: -68.314 tors. eta vs tors. theta energy: -97.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -1077.247473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.247473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.247473 (E_RNA) where: Base-Base interactions energy: -730.763 where: short stacking energy: -301.165 Base-Backbone interact. energy: -0.507 local terms energy: -345.977839 where: bonds (distance) C4'-P energy: -75.542 bonds (distance) P-C4' energy: -81.828 flat angles C4'-P-C4' energy: -74.038 flat angles P-C4'-P energy: -51.415 tors. eta vs tors. theta energy: -63.154 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: 10, replica: 7 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -816.551716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.551716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.551716 (E_RNA) where: Base-Base interactions energy: -495.542 where: short stacking energy: -220.132 Base-Backbone interact. energy: -0.718 local terms energy: -320.291985 where: bonds (distance) C4'-P energy: -80.928 bonds (distance) P-C4' energy: -77.590 flat angles C4'-P-C4' energy: -85.744 flat angles P-C4'-P energy: -36.207 tors. eta vs tors. theta energy: -39.823 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: 4 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1907.361569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.361569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.361569 (E_RNA) where: Base-Base interactions energy: -1356.555 where: short stacking energy: -552.552 Base-Backbone interact. energy: -0.183 local terms energy: -550.623628 where: bonds (distance) C4'-P energy: -94.376 bonds (distance) P-C4' energy: -99.496 flat angles C4'-P-C4' energy: -105.564 flat angles P-C4'-P energy: -85.150 tors. eta vs tors. theta energy: -166.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1850.624328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.624328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.624328 (E_RNA) where: Base-Base interactions energy: -1312.652 where: short stacking energy: -517.060 Base-Backbone interact. energy: -2.079 local terms energy: -535.893508 where: bonds (distance) C4'-P energy: -96.294 bonds (distance) P-C4' energy: -88.579 flat angles C4'-P-C4' energy: -116.195 flat angles P-C4'-P energy: -71.060 tors. eta vs tors. theta energy: -163.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1708.435582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.435582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.435582 (E_RNA) where: Base-Base interactions energy: -1171.893 where: short stacking energy: -481.646 Base-Backbone interact. energy: -0.448 local terms energy: -536.094412 where: bonds (distance) C4'-P energy: -101.468 bonds (distance) P-C4' energy: -96.069 flat angles C4'-P-C4' energy: -114.201 flat angles P-C4'-P energy: -73.808 tors. eta vs tors. theta energy: -150.549 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: 425 Temperature: 1.050000 Total energy: -1719.922078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.922078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.922078 (E_RNA) where: Base-Base interactions energy: -1209.541 where: short stacking energy: -494.689 Base-Backbone interact. energy: -0.058 local terms energy: -510.322712 where: bonds (distance) C4'-P energy: -93.405 bonds (distance) P-C4' energy: -87.134 flat angles C4'-P-C4' energy: -107.931 flat angles P-C4'-P energy: -70.073 tors. eta vs tors. theta energy: -151.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1640.073039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.073039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.073039 (E_RNA) where: Base-Base interactions energy: -1151.498 where: short stacking energy: -468.763 Base-Backbone interact. energy: 0.177 local terms energy: -488.752127 where: bonds (distance) C4'-P energy: -86.270 bonds (distance) P-C4' energy: -78.285 flat angles C4'-P-C4' energy: -104.219 flat angles P-C4'-P energy: -70.482 tors. eta vs tors. theta energy: -149.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1497.433442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.433442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.433442 (E_RNA) where: Base-Base interactions energy: -1057.407 where: short stacking energy: -410.661 Base-Backbone interact. energy: 6.164 local terms energy: -446.190014 where: bonds (distance) C4'-P energy: -68.076 bonds (distance) P-C4' energy: -88.901 flat angles C4'-P-C4' energy: -101.175 flat angles P-C4'-P energy: -65.025 tors. eta vs tors. theta energy: -123.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1403.047900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.047900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.047900 (E_RNA) where: Base-Base interactions energy: -955.627 where: short stacking energy: -387.962 Base-Backbone interact. energy: -2.387 local terms energy: -445.034770 where: bonds (distance) C4'-P energy: -90.268 bonds (distance) P-C4' energy: -93.763 flat angles C4'-P-C4' energy: -86.555 flat angles P-C4'-P energy: -58.753 tors. eta vs tors. theta energy: -115.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1286.504834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.504834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.504834 (E_RNA) where: Base-Base interactions energy: -894.828 where: short stacking energy: -361.850 Base-Backbone interact. energy: -0.015 local terms energy: -391.661682 where: bonds (distance) C4'-P energy: -76.601 bonds (distance) P-C4' energy: -89.466 flat angles C4'-P-C4' energy: -91.600 flat angles P-C4'-P energy: -35.810 tors. eta vs tors. theta energy: -98.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -1086.668956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.668956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.668956 (E_RNA) where: Base-Base interactions energy: -710.749 where: short stacking energy: -302.515 Base-Backbone interact. energy: -0.832 local terms energy: -375.088498 where: bonds (distance) C4'-P energy: -76.668 bonds (distance) P-C4' energy: -87.371 flat angles C4'-P-C4' energy: -80.032 flat angles P-C4'-P energy: -53.432 tors. eta vs tors. theta energy: -77.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -812.195714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.195714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.195714 (E_RNA) where: Base-Base interactions energy: -506.424 where: short stacking energy: -220.270 Base-Backbone interact. energy: -2.066 local terms energy: -303.705545 where: bonds (distance) C4'-P energy: -57.115 bonds (distance) P-C4' energy: -80.885 flat angles C4'-P-C4' energy: -81.692 flat angles P-C4'-P energy: -44.525 tors. eta vs tors. theta energy: -39.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1896.578628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.578628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.578628 (E_RNA) where: Base-Base interactions energy: -1351.099 where: short stacking energy: -536.086 Base-Backbone interact. energy: -0.402 local terms energy: -545.077997 where: bonds (distance) C4'-P energy: -85.507 bonds (distance) P-C4' energy: -108.667 flat angles C4'-P-C4' energy: -112.338 flat angles P-C4'-P energy: -78.464 tors. eta vs tors. theta energy: -160.102 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: 426 Temperature: 0.950000 Total energy: -1854.960235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.960235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.960235 (E_RNA) where: Base-Base interactions energy: -1310.772 where: short stacking energy: -522.145 Base-Backbone interact. energy: -1.418 local terms energy: -542.770327 where: bonds (distance) C4'-P energy: -103.241 bonds (distance) P-C4' energy: -102.193 flat angles C4'-P-C4' energy: -102.914 flat angles P-C4'-P energy: -76.330 tors. eta vs tors. theta energy: -158.093 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: 3, replica: 1 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -1753.084448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.084448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.084448 (E_RNA) where: Base-Base interactions energy: -1223.463 where: short stacking energy: -501.808 Base-Backbone interact. energy: -2.949 local terms energy: -526.672234 where: bonds (distance) C4'-P energy: -99.366 bonds (distance) P-C4' energy: -93.449 flat angles C4'-P-C4' energy: -106.085 flat angles P-C4'-P energy: -73.186 tors. eta vs tors. theta energy: -154.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1698.864039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.864039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.864039 (E_RNA) where: Base-Base interactions energy: -1197.272 where: short stacking energy: -495.966 Base-Backbone interact. energy: -0.865 local terms energy: -500.726866 where: bonds (distance) C4'-P energy: -89.613 bonds (distance) P-C4' energy: -74.250 flat angles C4'-P-C4' energy: -104.164 flat angles P-C4'-P energy: -76.312 tors. eta vs tors. theta energy: -156.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1627.733703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.733703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.733703 (E_RNA) where: Base-Base interactions energy: -1140.343 where: short stacking energy: -463.556 Base-Backbone interact. energy: -0.462 local terms energy: -486.929350 where: bonds (distance) C4'-P energy: -66.179 bonds (distance) P-C4' energy: -106.940 flat angles C4'-P-C4' energy: -98.413 flat angles P-C4'-P energy: -71.856 tors. eta vs tors. theta energy: -143.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1479.177975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.177975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.177975 (E_RNA) where: Base-Base interactions energy: -1030.330 where: short stacking energy: -397.390 Base-Backbone interact. energy: 1.943 local terms energy: -450.791493 where: bonds (distance) C4'-P energy: -84.205 bonds (distance) P-C4' energy: -94.495 flat angles C4'-P-C4' energy: -97.116 flat angles P-C4'-P energy: -55.618 tors. eta vs tors. theta energy: -119.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1414.936182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.936182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.936182 (E_RNA) where: Base-Base interactions energy: -947.799 where: short stacking energy: -390.118 Base-Backbone interact. energy: -1.315 local terms energy: -465.821847 where: bonds (distance) C4'-P energy: -86.652 bonds (distance) P-C4' energy: -92.283 flat angles C4'-P-C4' energy: -106.495 flat angles P-C4'-P energy: -63.353 tors. eta vs tors. theta energy: -117.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1283.919266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.919266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.919266 (E_RNA) where: Base-Base interactions energy: -877.003 where: short stacking energy: -377.159 Base-Backbone interact. energy: 0.471 local terms energy: -407.387745 where: bonds (distance) C4'-P energy: -77.499 bonds (distance) P-C4' energy: -66.854 flat angles C4'-P-C4' energy: -92.293 flat angles P-C4'-P energy: -63.519 tors. eta vs tors. theta energy: -107.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -1059.284650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.284650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.284650 (E_RNA) where: Base-Base interactions energy: -692.450 where: short stacking energy: -308.940 Base-Backbone interact. energy: 0.110 local terms energy: -366.944471 where: bonds (distance) C4'-P energy: -83.307 bonds (distance) P-C4' energy: -88.709 flat angles C4'-P-C4' energy: -72.896 flat angles P-C4'-P energy: -47.059 tors. eta vs tors. theta energy: -74.974 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: 426 Temperature: 1.350000 Total energy: -813.011078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.011078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.011078 (E_RNA) where: Base-Base interactions energy: -490.864 where: short stacking energy: -248.354 Base-Backbone interact. energy: 1.397 local terms energy: -323.544075 where: bonds (distance) C4'-P energy: -79.691 bonds (distance) P-C4' energy: -83.003 flat angles C4'-P-C4' energy: -77.471 flat angles P-C4'-P energy: -42.059 tors. eta vs tors. theta energy: -41.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1912.989150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.989150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.989150 (E_RNA) where: Base-Base interactions energy: -1350.572 where: short stacking energy: -530.718 Base-Backbone interact. energy: -0.497 local terms energy: -561.920285 where: bonds (distance) C4'-P energy: -88.739 bonds (distance) P-C4' energy: -104.516 flat angles C4'-P-C4' energy: -117.105 flat angles P-C4'-P energy: -85.218 tors. eta vs tors. theta energy: -166.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1847.828135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.828135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.828135 (E_RNA) where: Base-Base interactions energy: -1334.464 where: short stacking energy: -509.385 Base-Backbone interact. energy: -2.535 local terms energy: -510.829169 where: bonds (distance) C4'-P energy: -98.227 bonds (distance) P-C4' energy: -91.351 flat angles C4'-P-C4' energy: -101.763 flat angles P-C4'-P energy: -74.517 tors. eta vs tors. theta energy: -144.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1728.803041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.803041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.803041 (E_RNA) where: Base-Base interactions energy: -1219.756 where: short stacking energy: -504.822 Base-Backbone interact. energy: -0.831 local terms energy: -508.215809 where: bonds (distance) C4'-P energy: -78.843 bonds (distance) P-C4' energy: -90.403 flat angles C4'-P-C4' energy: -110.000 flat angles P-C4'-P energy: -69.251 tors. eta vs tors. theta energy: -159.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1684.219927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.219927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.219927 (E_RNA) where: Base-Base interactions energy: -1192.141 where: short stacking energy: -486.111 Base-Backbone interact. energy: -0.464 local terms energy: -491.614678 where: bonds (distance) C4'-P energy: -77.942 bonds (distance) P-C4' energy: -87.503 flat angles C4'-P-C4' energy: -109.801 flat angles P-C4'-P energy: -65.330 tors. eta vs tors. theta energy: -151.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -1628.272282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.272282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.272282 (E_RNA) where: Base-Base interactions energy: -1144.640 where: short stacking energy: -459.665 Base-Backbone interact. energy: 0.188 local terms energy: -483.820914 where: bonds (distance) C4'-P energy: -86.105 bonds (distance) P-C4' energy: -88.843 flat angles C4'-P-C4' energy: -97.671 flat angles P-C4'-P energy: -64.168 tors. eta vs tors. theta energy: -147.033 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: 2 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -1467.968175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.968175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.968175 (E_RNA) where: Base-Base interactions energy: -1004.209 where: short stacking energy: -417.712 Base-Backbone interact. energy: -2.677 local terms energy: -461.082688 where: bonds (distance) C4'-P energy: -91.565 bonds (distance) P-C4' energy: -72.228 flat angles C4'-P-C4' energy: -105.450 flat angles P-C4'-P energy: -57.093 tors. eta vs tors. theta energy: -134.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1386.497989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.497989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.497989 (E_RNA) where: Base-Base interactions energy: -967.525 where: short stacking energy: -373.999 Base-Backbone interact. energy: -0.491 local terms energy: -418.481782 where: bonds (distance) C4'-P energy: -82.700 bonds (distance) P-C4' energy: -76.810 flat angles C4'-P-C4' energy: -100.742 flat angles P-C4'-P energy: -59.812 tors. eta vs tors. theta energy: -98.418 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: 6 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1277.346469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.346469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.346469 (E_RNA) where: Base-Base interactions energy: -867.544 where: short stacking energy: -363.575 Base-Backbone interact. energy: 0.463 local terms energy: -410.265017 where: bonds (distance) C4'-P energy: -75.399 bonds (distance) P-C4' energy: -74.914 flat angles C4'-P-C4' energy: -93.400 flat angles P-C4'-P energy: -62.152 tors. eta vs tors. theta energy: -104.401 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: 10 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -1045.514544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.514544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.514544 (E_RNA) where: Base-Base interactions energy: -677.165 where: short stacking energy: -275.106 Base-Backbone interact. energy: -0.353 local terms energy: -367.995811 where: bonds (distance) C4'-P energy: -95.180 bonds (distance) P-C4' energy: -83.795 flat angles C4'-P-C4' energy: -81.956 flat angles P-C4'-P energy: -45.258 tors. eta vs tors. theta energy: -61.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -807.324011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.324011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.324011 (E_RNA) where: Base-Base interactions energy: -486.674 where: short stacking energy: -243.486 Base-Backbone interact. energy: -1.304 local terms energy: -319.345571 where: bonds (distance) C4'-P energy: -71.738 bonds (distance) P-C4' energy: -80.582 flat angles C4'-P-C4' energy: -75.513 flat angles P-C4'-P energy: -44.649 tors. eta vs tors. theta energy: -46.864 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: 4 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1914.628469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.628469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.628469 (E_RNA) where: Base-Base interactions energy: -1347.389 where: short stacking energy: -543.783 Base-Backbone interact. energy: -1.257 local terms energy: -565.982632 where: bonds (distance) C4'-P energy: -98.820 bonds (distance) P-C4' energy: -103.419 flat angles C4'-P-C4' energy: -114.048 flat angles P-C4'-P energy: -83.846 tors. eta vs tors. theta energy: -165.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1844.599341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.599341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.599341 (E_RNA) where: Base-Base interactions energy: -1321.400 where: short stacking energy: -529.886 Base-Backbone interact. energy: 1.534 local terms energy: -524.733214 where: bonds (distance) C4'-P energy: -93.841 bonds (distance) P-C4' energy: -95.623 flat angles C4'-P-C4' energy: -115.721 flat angles P-C4'-P energy: -66.741 tors. eta vs tors. theta energy: -152.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1697.708470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.708470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.708470 (E_RNA) where: Base-Base interactions energy: -1184.744 where: short stacking energy: -490.953 Base-Backbone interact. energy: -1.590 local terms energy: -511.374205 where: bonds (distance) C4'-P energy: -97.670 bonds (distance) P-C4' energy: -85.042 flat angles C4'-P-C4' energy: -109.012 flat angles P-C4'-P energy: -67.360 tors. eta vs tors. theta energy: -152.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -1696.112836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.112836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.112836 (E_RNA) where: Base-Base interactions energy: -1198.516 where: short stacking energy: -480.603 Base-Backbone interact. energy: -2.447 local terms energy: -495.150450 where: bonds (distance) C4'-P energy: -86.492 bonds (distance) P-C4' energy: -85.712 flat angles C4'-P-C4' energy: -97.157 flat angles P-C4'-P energy: -76.067 tors. eta vs tors. theta energy: -149.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1602.954241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.954241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.954241 (E_RNA) where: Base-Base interactions energy: -1121.077 where: short stacking energy: -461.677 Base-Backbone interact. energy: 0.172 local terms energy: -482.048823 where: bonds (distance) C4'-P energy: -84.749 bonds (distance) P-C4' energy: -90.002 flat angles C4'-P-C4' energy: -95.312 flat angles P-C4'-P energy: -62.031 tors. eta vs tors. theta energy: -149.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1472.125375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.125375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.125375 (E_RNA) where: Base-Base interactions energy: -1009.245 where: short stacking energy: -413.507 Base-Backbone interact. energy: -2.053 local terms energy: -460.827141 where: bonds (distance) C4'-P energy: -89.485 bonds (distance) P-C4' energy: -88.753 flat angles C4'-P-C4' energy: -93.463 flat angles P-C4'-P energy: -71.592 tors. eta vs tors. theta energy: -117.534 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: 5 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1396.990790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.990790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.990790 (E_RNA) where: Base-Base interactions energy: -965.500 where: short stacking energy: -381.802 Base-Backbone interact. energy: -1.649 local terms energy: -429.842272 where: bonds (distance) C4'-P energy: -83.923 bonds (distance) P-C4' energy: -90.359 flat angles C4'-P-C4' energy: -98.154 flat angles P-C4'-P energy: -57.087 tors. eta vs tors. theta energy: -100.319 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: 6 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1277.278853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.278853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.278853 (E_RNA) where: Base-Base interactions energy: -861.306 where: short stacking energy: -361.031 Base-Backbone interact. energy: 0.915 local terms energy: -416.888009 where: bonds (distance) C4'-P energy: -78.613 bonds (distance) P-C4' energy: -86.691 flat angles C4'-P-C4' energy: -90.553 flat angles P-C4'-P energy: -59.730 tors. eta vs tors. theta energy: -101.302 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: 10 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -1080.893716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.893716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.893716 (E_RNA) where: Base-Base interactions energy: -703.489 where: short stacking energy: -298.320 Base-Backbone interact. energy: 0.745 local terms energy: -378.149794 where: bonds (distance) C4'-P energy: -79.470 bonds (distance) P-C4' energy: -86.007 flat angles C4'-P-C4' energy: -93.895 flat angles P-C4'-P energy: -51.948 tors. eta vs tors. theta energy: -66.830 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: 10, replica: 7 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -800.219181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.219181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.219181 (E_RNA) where: Base-Base interactions energy: -481.492 where: short stacking energy: -220.898 Base-Backbone interact. energy: -1.275 local terms energy: -317.452832 where: bonds (distance) C4'-P energy: -76.418 bonds (distance) P-C4' energy: -69.363 flat angles C4'-P-C4' energy: -78.431 flat angles P-C4'-P energy: -46.232 tors. eta vs tors. theta energy: -47.010 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: 4 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1887.548090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.548090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.548090 (E_RNA) where: Base-Base interactions energy: -1346.250 where: short stacking energy: -540.270 Base-Backbone interact. energy: -1.080 local terms energy: -540.217979 where: bonds (distance) C4'-P energy: -89.649 bonds (distance) P-C4' energy: -90.299 flat angles C4'-P-C4' energy: -118.533 flat angles P-C4'-P energy: -78.844 tors. eta vs tors. theta energy: -162.892 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: 9 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1860.676607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.676607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.676607 (E_RNA) where: Base-Base interactions energy: -1311.169 where: short stacking energy: -528.585 Base-Backbone interact. energy: -3.163 local terms energy: -546.344369 where: bonds (distance) C4'-P energy: -93.617 bonds (distance) P-C4' energy: -109.130 flat angles C4'-P-C4' energy: -103.879 flat angles P-C4'-P energy: -81.728 tors. eta vs tors. theta energy: -157.990 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: 8 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1680.397001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.397001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.397001 (E_RNA) where: Base-Base interactions energy: -1182.126 where: short stacking energy: -497.037 Base-Backbone interact. energy: -0.935 local terms energy: -497.335976 where: bonds (distance) C4'-P energy: -81.019 bonds (distance) P-C4' energy: -83.078 flat angles C4'-P-C4' energy: -106.591 flat angles P-C4'-P energy: -68.186 tors. eta vs tors. theta energy: -158.463 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: 1 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -1712.528664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.528664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.528664 (E_RNA) where: Base-Base interactions energy: -1212.255 where: short stacking energy: -494.286 Base-Backbone interact. energy: -3.952 local terms energy: -496.322190 where: bonds (distance) C4'-P energy: -73.626 bonds (distance) P-C4' energy: -87.645 flat angles C4'-P-C4' energy: -103.730 flat angles P-C4'-P energy: -72.871 tors. eta vs tors. theta energy: -158.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -1623.654966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.654966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.654966 (E_RNA) where: Base-Base interactions energy: -1154.443 where: short stacking energy: -449.683 Base-Backbone interact. energy: -0.921 local terms energy: -468.290544 where: bonds (distance) C4'-P energy: -77.739 bonds (distance) P-C4' energy: -70.600 flat angles C4'-P-C4' energy: -102.709 flat angles P-C4'-P energy: -78.062 tors. eta vs tors. theta energy: -139.180 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: 6, replica: 2 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1452.553623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.553623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.553623 (E_RNA) where: Base-Base interactions energy: -995.057 where: short stacking energy: -395.773 Base-Backbone interact. energy: -1.946 local terms energy: -455.550334 where: bonds (distance) C4'-P energy: -86.150 bonds (distance) P-C4' energy: -94.896 flat angles C4'-P-C4' energy: -103.540 flat angles P-C4'-P energy: -51.508 tors. eta vs tors. theta energy: -119.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1394.042761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.042761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.042761 (E_RNA) where: Base-Base interactions energy: -989.893 where: short stacking energy: -379.852 Base-Backbone interact. energy: 0.489 local terms energy: -404.638637 where: bonds (distance) C4'-P energy: -66.889 bonds (distance) P-C4' energy: -62.967 flat angles C4'-P-C4' energy: -100.708 flat angles P-C4'-P energy: -69.479 tors. eta vs tors. theta energy: -104.596 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: 6 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1265.372107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.372107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.372107 (E_RNA) where: Base-Base interactions energy: -855.298 where: short stacking energy: -356.090 Base-Backbone interact. energy: -0.877 local terms energy: -409.197372 where: bonds (distance) C4'-P energy: -83.343 bonds (distance) P-C4' energy: -91.972 flat angles C4'-P-C4' energy: -83.668 flat angles P-C4'-P energy: -53.048 tors. eta vs tors. theta energy: -97.166 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: 10 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -1090.405460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.405460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.405460 (E_RNA) where: Base-Base interactions energy: -713.035 where: short stacking energy: -321.479 Base-Backbone interact. energy: 1.043 local terms energy: -378.413484 where: bonds (distance) C4'-P energy: -75.934 bonds (distance) P-C4' energy: -81.030 flat angles C4'-P-C4' energy: -85.208 flat angles P-C4'-P energy: -57.082 tors. eta vs tors. theta energy: -79.160 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: 10, replica: 7 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -829.280424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.280424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.280424 (E_RNA) where: Base-Base interactions energy: -516.084 where: short stacking energy: -226.580 Base-Backbone interact. energy: -0.189 local terms energy: -313.007567 where: bonds (distance) C4'-P energy: -74.235 bonds (distance) P-C4' energy: -75.248 flat angles C4'-P-C4' energy: -82.844 flat angles P-C4'-P energy: -43.536 tors. eta vs tors. theta energy: -37.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1888.158015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.158015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.158015 (E_RNA) where: Base-Base interactions energy: -1362.756 where: short stacking energy: -540.189 Base-Backbone interact. energy: -1.441 local terms energy: -523.961173 where: bonds (distance) C4'-P energy: -87.098 bonds (distance) P-C4' energy: -102.233 flat angles C4'-P-C4' energy: -110.968 flat angles P-C4'-P energy: -70.879 tors. eta vs tors. theta energy: -152.783 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: 2, replica: 4 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1889.504771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.504771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.504771 (E_RNA) where: Base-Base interactions energy: -1339.265 where: short stacking energy: -521.830 Base-Backbone interact. energy: 0.363 local terms energy: -550.603120 where: bonds (distance) C4'-P energy: -94.901 bonds (distance) P-C4' energy: -90.318 flat angles C4'-P-C4' energy: -108.418 flat angles P-C4'-P energy: -90.877 tors. eta vs tors. theta energy: -166.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -1730.138504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.138504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.138504 (E_RNA) where: Base-Base interactions energy: -1205.271 where: short stacking energy: -485.904 Base-Backbone interact. energy: -2.022 local terms energy: -522.845574 where: bonds (distance) C4'-P energy: -92.623 bonds (distance) P-C4' energy: -93.989 flat angles C4'-P-C4' energy: -102.687 flat angles P-C4'-P energy: -71.774 tors. eta vs tors. theta energy: -161.773 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: 8 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1659.600798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.600798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.600798 (E_RNA) where: Base-Base interactions energy: -1177.968 where: short stacking energy: -466.458 Base-Backbone interact. energy: -1.791 local terms energy: -479.841479 where: bonds (distance) C4'-P energy: -87.207 bonds (distance) P-C4' energy: -71.385 flat angles C4'-P-C4' energy: -114.203 flat angles P-C4'-P energy: -65.099 tors. eta vs tors. theta energy: -141.947 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: 3 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -1630.282044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.282044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.282044 (E_RNA) where: Base-Base interactions energy: -1133.024 where: short stacking energy: -435.007 Base-Backbone interact. energy: 0.842 local terms energy: -498.100124 where: bonds (distance) C4'-P energy: -93.874 bonds (distance) P-C4' energy: -84.920 flat angles C4'-P-C4' energy: -108.360 flat angles P-C4'-P energy: -69.714 tors. eta vs tors. theta energy: -141.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1459.038890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.038890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.038890 (E_RNA) where: Base-Base interactions energy: -1016.692 where: short stacking energy: -386.149 Base-Backbone interact. energy: -0.518 local terms energy: -441.828626 where: bonds (distance) C4'-P energy: -84.769 bonds (distance) P-C4' energy: -91.845 flat angles C4'-P-C4' energy: -95.845 flat angles P-C4'-P energy: -59.896 tors. eta vs tors. theta energy: -109.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1395.078631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.078631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.078631 (E_RNA) where: Base-Base interactions energy: -950.943 where: short stacking energy: -398.042 Base-Backbone interact. energy: 3.067 local terms energy: -447.203141 where: bonds (distance) C4'-P energy: -87.455 bonds (distance) P-C4' energy: -77.861 flat angles C4'-P-C4' energy: -99.191 flat angles P-C4'-P energy: -66.128 tors. eta vs tors. theta energy: -116.569 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: 8, replica: 6 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1228.742097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.742097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.742097 (E_RNA) where: Base-Base interactions energy: -823.284 where: short stacking energy: -342.804 Base-Backbone interact. energy: -2.816 local terms energy: -402.642582 where: bonds (distance) C4'-P energy: -74.906 bonds (distance) P-C4' energy: -78.236 flat angles C4'-P-C4' energy: -92.299 flat angles P-C4'-P energy: -58.789 tors. eta vs tors. theta energy: -98.412 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: 10 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -1076.862023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.862023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.862023 (E_RNA) where: Base-Base interactions energy: -708.357 where: short stacking energy: -313.845 Base-Backbone interact. energy: 2.237 local terms energy: -370.742321 where: bonds (distance) C4'-P energy: -80.683 bonds (distance) P-C4' energy: -85.733 flat angles C4'-P-C4' energy: -84.078 flat angles P-C4'-P energy: -50.869 tors. eta vs tors. theta energy: -69.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -820.332529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.332529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.332529 (E_RNA) where: Base-Base interactions energy: -515.344 where: short stacking energy: -233.509 Base-Backbone interact. energy: 4.168 local terms energy: -309.156409 where: bonds (distance) C4'-P energy: -64.693 bonds (distance) P-C4' energy: -83.118 flat angles C4'-P-C4' energy: -78.711 flat angles P-C4'-P energy: -41.821 tors. eta vs tors. theta energy: -40.814 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: 431 Temperature: 0.900000 Total energy: -1869.817916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.817916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.817916 (E_RNA) where: Base-Base interactions energy: -1344.794 where: short stacking energy: -511.127 Base-Backbone interact. energy: -2.131 local terms energy: -522.892895 where: bonds (distance) C4'-P energy: -89.953 bonds (distance) P-C4' energy: -94.995 flat angles C4'-P-C4' energy: -111.124 flat angles P-C4'-P energy: -73.200 tors. eta vs tors. theta energy: -153.622 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: 4 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1865.548782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.548782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.548782 (E_RNA) where: Base-Base interactions energy: -1329.781 where: short stacking energy: -534.563 Base-Backbone interact. energy: 1.052 local terms energy: -536.820380 where: bonds (distance) C4'-P energy: -84.041 bonds (distance) P-C4' energy: -92.425 flat angles C4'-P-C4' energy: -116.182 flat angles P-C4'-P energy: -78.954 tors. eta vs tors. theta energy: -165.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -1755.235258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.235258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.235258 (E_RNA) where: Base-Base interactions energy: -1210.365 where: short stacking energy: -504.761 Base-Backbone interact. energy: -3.392 local terms energy: -541.478856 where: bonds (distance) C4'-P energy: -94.460 bonds (distance) P-C4' energy: -90.051 flat angles C4'-P-C4' energy: -116.942 flat angles P-C4'-P energy: -78.483 tors. eta vs tors. theta energy: -161.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1675.594256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.594256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.594256 (E_RNA) where: Base-Base interactions energy: -1172.291 where: short stacking energy: -472.991 Base-Backbone interact. energy: -0.847 local terms energy: -502.456347 where: bonds (distance) C4'-P energy: -80.256 bonds (distance) P-C4' energy: -96.531 flat angles C4'-P-C4' energy: -109.886 flat angles P-C4'-P energy: -70.676 tors. eta vs tors. theta energy: -145.108 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: 8 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -1617.987863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.987863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.987863 (E_RNA) where: Base-Base interactions energy: -1131.910 where: short stacking energy: -452.046 Base-Backbone interact. energy: -0.300 local terms energy: -485.778091 where: bonds (distance) C4'-P energy: -91.477 bonds (distance) P-C4' energy: -82.383 flat angles C4'-P-C4' energy: -99.883 flat angles P-C4'-P energy: -68.491 tors. eta vs tors. theta energy: -143.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1519.090225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.090225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.090225 (E_RNA) where: Base-Base interactions energy: -1061.799 where: short stacking energy: -438.030 Base-Backbone interact. energy: -1.309 local terms energy: -455.981604 where: bonds (distance) C4'-P energy: -81.433 bonds (distance) P-C4' energy: -90.995 flat angles C4'-P-C4' energy: -98.215 flat angles P-C4'-P energy: -59.649 tors. eta vs tors. theta energy: -125.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1395.990488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.990488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.990488 (E_RNA) where: Base-Base interactions energy: -958.815 where: short stacking energy: -385.125 Base-Backbone interact. energy: -0.812 local terms energy: -436.362801 where: bonds (distance) C4'-P energy: -85.110 bonds (distance) P-C4' energy: -91.180 flat angles C4'-P-C4' energy: -89.833 flat angles P-C4'-P energy: -62.171 tors. eta vs tors. theta energy: -108.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1229.341947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.341947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.341947 (E_RNA) where: Base-Base interactions energy: -830.287 where: short stacking energy: -347.148 Base-Backbone interact. energy: 0.484 local terms energy: -399.539573 where: bonds (distance) C4'-P energy: -89.164 bonds (distance) P-C4' energy: -86.014 flat angles C4'-P-C4' energy: -90.461 flat angles P-C4'-P energy: -45.529 tors. eta vs tors. theta energy: -88.371 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: 10 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -1012.850253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.850253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.850253 (E_RNA) where: Base-Base interactions energy: -664.131 where: short stacking energy: -281.097 Base-Backbone interact. energy: 0.094 local terms energy: -348.813385 where: bonds (distance) C4'-P energy: -63.960 bonds (distance) P-C4' energy: -81.006 flat angles C4'-P-C4' energy: -81.208 flat angles P-C4'-P energy: -54.629 tors. eta vs tors. theta energy: -68.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -802.652693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.652693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.652693 (E_RNA) where: Base-Base interactions energy: -489.129 where: short stacking energy: -217.014 Base-Backbone interact. energy: 6.687 local terms energy: -320.210539 where: bonds (distance) C4'-P energy: -68.735 bonds (distance) P-C4' energy: -89.966 flat angles C4'-P-C4' energy: -74.735 flat angles P-C4'-P energy: -42.482 tors. eta vs tors. theta energy: -44.292 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: 4 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1892.459032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.459032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.459032 (E_RNA) where: Base-Base interactions energy: -1353.095 where: short stacking energy: -522.857 Base-Backbone interact. energy: -1.528 local terms energy: -537.835740 where: bonds (distance) C4'-P energy: -88.095 bonds (distance) P-C4' energy: -91.742 flat angles C4'-P-C4' energy: -113.341 flat angles P-C4'-P energy: -84.215 tors. eta vs tors. theta energy: -160.443 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: 9 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1839.323825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.323825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.323825 (E_RNA) where: Base-Base interactions energy: -1307.080 where: short stacking energy: -491.946 Base-Backbone interact. energy: -0.453 local terms energy: -531.791304 where: bonds (distance) C4'-P energy: -98.282 bonds (distance) P-C4' energy: -91.116 flat angles C4'-P-C4' energy: -114.428 flat angles P-C4'-P energy: -76.589 tors. eta vs tors. theta energy: -151.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -1745.699425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.699425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.699425 (E_RNA) where: Base-Base interactions energy: -1211.190 where: short stacking energy: -498.872 Base-Backbone interact. energy: 1.136 local terms energy: -535.645743 where: bonds (distance) C4'-P energy: -94.296 bonds (distance) P-C4' energy: -87.723 flat angles C4'-P-C4' energy: -109.727 flat angles P-C4'-P energy: -84.543 tors. eta vs tors. theta energy: -159.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1696.446690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.446690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.446690 (E_RNA) where: Base-Base interactions energy: -1181.581 where: short stacking energy: -468.729 Base-Backbone interact. energy: -0.606 local terms energy: -514.259694 where: bonds (distance) C4'-P energy: -83.120 bonds (distance) P-C4' energy: -97.795 flat angles C4'-P-C4' energy: -107.888 flat angles P-C4'-P energy: -75.043 tors. eta vs tors. theta energy: -150.414 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: 8 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -1651.735497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.735497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.735497 (E_RNA) where: Base-Base interactions energy: -1135.576 where: short stacking energy: -457.332 Base-Backbone interact. energy: -1.037 local terms energy: -515.122777 where: bonds (distance) C4'-P energy: -98.249 bonds (distance) P-C4' energy: -85.299 flat angles C4'-P-C4' energy: -103.062 flat angles P-C4'-P energy: -72.201 tors. eta vs tors. theta energy: -156.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1471.732443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.732443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.732443 (E_RNA) where: Base-Base interactions energy: -1025.943 where: short stacking energy: -403.179 Base-Backbone interact. energy: -0.829 local terms energy: -444.960749 where: bonds (distance) C4'-P energy: -77.455 bonds (distance) P-C4' energy: -85.052 flat angles C4'-P-C4' energy: -97.629 flat angles P-C4'-P energy: -69.888 tors. eta vs tors. theta energy: -114.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1379.911396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.911396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.911396 (E_RNA) where: Base-Base interactions energy: -950.842 where: short stacking energy: -395.869 Base-Backbone interact. energy: 0.735 local terms energy: -429.804098 where: bonds (distance) C4'-P energy: -75.865 bonds (distance) P-C4' energy: -73.046 flat angles C4'-P-C4' energy: -96.472 flat angles P-C4'-P energy: -70.202 tors. eta vs tors. theta energy: -114.219 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: 6 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1282.463660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.463660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.463660 (E_RNA) where: Base-Base interactions energy: -874.426 where: short stacking energy: -344.463 Base-Backbone interact. energy: 0.202 local terms energy: -408.239572 where: bonds (distance) C4'-P energy: -85.101 bonds (distance) P-C4' energy: -82.226 flat angles C4'-P-C4' energy: -95.565 flat angles P-C4'-P energy: -49.361 tors. eta vs tors. theta energy: -95.986 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: 9, replica: 10 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -1039.314639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.314639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.314639 (E_RNA) where: Base-Base interactions energy: -695.336 where: short stacking energy: -294.945 Base-Backbone interact. energy: 0.036 local terms energy: -344.014224 where: bonds (distance) C4'-P energy: -75.132 bonds (distance) P-C4' energy: -80.883 flat angles C4'-P-C4' energy: -84.714 flat angles P-C4'-P energy: -44.609 tors. eta vs tors. theta energy: -58.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -786.240973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.240973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.240973 (E_RNA) where: Base-Base interactions energy: -494.149 where: short stacking energy: -244.651 Base-Backbone interact. energy: -2.049 local terms energy: -290.043253 where: bonds (distance) C4'-P energy: -73.375 bonds (distance) P-C4' energy: -73.153 flat angles C4'-P-C4' energy: -72.976 flat angles P-C4'-P energy: -29.236 tors. eta vs tors. theta energy: -41.303 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: 4 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1901.676901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.676901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.676901 (E_RNA) where: Base-Base interactions energy: -1363.419 where: short stacking energy: -546.393 Base-Backbone interact. energy: -1.431 local terms energy: -536.827278 where: bonds (distance) C4'-P energy: -96.967 bonds (distance) P-C4' energy: -87.454 flat angles C4'-P-C4' energy: -106.844 flat angles P-C4'-P energy: -80.527 tors. eta vs tors. theta energy: -165.036 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: 2, replica: 9 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1828.708390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.708390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.708390 (E_RNA) where: Base-Base interactions energy: -1313.361 where: short stacking energy: -513.239 Base-Backbone interact. energy: -1.352 local terms energy: -513.995432 where: bonds (distance) C4'-P energy: -78.897 bonds (distance) P-C4' energy: -86.504 flat angles C4'-P-C4' energy: -116.424 flat angles P-C4'-P energy: -71.248 tors. eta vs tors. theta energy: -160.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1731.776343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.776343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.776343 (E_RNA) where: Base-Base interactions energy: -1235.984 where: short stacking energy: -497.860 Base-Backbone interact. energy: 0.434 local terms energy: -496.225817 where: bonds (distance) C4'-P energy: -93.360 bonds (distance) P-C4' energy: -95.943 flat angles C4'-P-C4' energy: -89.172 flat angles P-C4'-P energy: -68.256 tors. eta vs tors. theta energy: -149.495 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: 433 Temperature: 1.050000 Total energy: -1694.082375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.082375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.082375 (E_RNA) where: Base-Base interactions energy: -1173.096 where: short stacking energy: -492.168 Base-Backbone interact. energy: -0.386 local terms energy: -520.599607 where: bonds (distance) C4'-P energy: -86.137 bonds (distance) P-C4' energy: -90.958 flat angles C4'-P-C4' energy: -110.485 flat angles P-C4'-P energy: -75.767 tors. eta vs tors. theta energy: -157.252 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: 8 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -1618.550712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.550712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.550712 (E_RNA) where: Base-Base interactions energy: -1126.150 where: short stacking energy: -452.380 Base-Backbone interact. energy: 6.559 local terms energy: -498.959793 where: bonds (distance) C4'-P energy: -88.495 bonds (distance) P-C4' energy: -88.472 flat angles C4'-P-C4' energy: -97.709 flat angles P-C4'-P energy: -79.341 tors. eta vs tors. theta energy: -144.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -1535.139996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.139996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.139996 (E_RNA) where: Base-Base interactions energy: -1073.602 where: short stacking energy: -425.294 Base-Backbone interact. energy: -2.774 local terms energy: -458.763580 where: bonds (distance) C4'-P energy: -94.402 bonds (distance) P-C4' energy: -74.363 flat angles C4'-P-C4' energy: -99.546 flat angles P-C4'-P energy: -62.600 tors. eta vs tors. theta energy: -127.852 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: 5 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1331.143721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.143721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.143721 (E_RNA) where: Base-Base interactions energy: -925.547 where: short stacking energy: -374.541 Base-Backbone interact. energy: -2.337 local terms energy: -403.259673 where: bonds (distance) C4'-P energy: -79.451 bonds (distance) P-C4' energy: -85.175 flat angles C4'-P-C4' energy: -91.360 flat angles P-C4'-P energy: -56.829 tors. eta vs tors. theta energy: -90.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1274.488773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.488773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.488773 (E_RNA) where: Base-Base interactions energy: -874.206 where: short stacking energy: -342.523 Base-Backbone interact. energy: -1.100 local terms energy: -399.183164 where: bonds (distance) C4'-P energy: -84.601 bonds (distance) P-C4' energy: -70.068 flat angles C4'-P-C4' energy: -82.220 flat angles P-C4'-P energy: -68.709 tors. eta vs tors. theta energy: -93.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -1062.449034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.449034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.449034 (E_RNA) where: Base-Base interactions energy: -705.356 where: short stacking energy: -294.537 Base-Backbone interact. energy: -1.548 local terms energy: -355.545170 where: bonds (distance) C4'-P energy: -68.201 bonds (distance) P-C4' energy: -86.806 flat angles C4'-P-C4' energy: -90.928 flat angles P-C4'-P energy: -47.320 tors. eta vs tors. theta energy: -62.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -828.263903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.263903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.263903 (E_RNA) where: Base-Base interactions energy: -521.621 where: short stacking energy: -247.944 Base-Backbone interact. energy: 2.782 local terms energy: -309.425822 where: bonds (distance) C4'-P energy: -71.181 bonds (distance) P-C4' energy: -75.340 flat angles C4'-P-C4' energy: -77.326 flat angles P-C4'-P energy: -38.477 tors. eta vs tors. theta energy: -47.102 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: 1, replica: 4 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1920.838626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.838626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.838626 (E_RNA) where: Base-Base interactions energy: -1385.372 where: short stacking energy: -550.747 Base-Backbone interact. energy: -1.083 local terms energy: -534.383524 where: bonds (distance) C4'-P energy: -81.160 bonds (distance) P-C4' energy: -101.182 flat angles C4'-P-C4' energy: -110.002 flat angles P-C4'-P energy: -72.772 tors. eta vs tors. theta energy: -169.268 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: 9 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1825.816142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.816142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.816142 (E_RNA) where: Base-Base interactions energy: -1303.961 where: short stacking energy: -510.610 Base-Backbone interact. energy: -0.924 local terms energy: -520.931319 where: bonds (distance) C4'-P energy: -81.745 bonds (distance) P-C4' energy: -103.368 flat angles C4'-P-C4' energy: -117.286 flat angles P-C4'-P energy: -73.850 tors. eta vs tors. theta energy: -144.682 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: 1 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1733.796030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.796030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.796030 (E_RNA) where: Base-Base interactions energy: -1199.286 where: short stacking energy: -490.526 Base-Backbone interact. energy: -1.833 local terms energy: -532.677281 where: bonds (distance) C4'-P energy: -87.729 bonds (distance) P-C4' energy: -95.768 flat angles C4'-P-C4' energy: -112.252 flat angles P-C4'-P energy: -83.124 tors. eta vs tors. theta energy: -153.804 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: 434 Temperature: 1.050000 Total energy: -1683.399469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.399469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.399469 (E_RNA) where: Base-Base interactions energy: -1188.001 where: short stacking energy: -490.914 Base-Backbone interact. energy: -0.674 local terms energy: -494.723812 where: bonds (distance) C4'-P energy: -76.772 bonds (distance) P-C4' energy: -90.091 flat angles C4'-P-C4' energy: -113.385 flat angles P-C4'-P energy: -56.462 tors. eta vs tors. theta energy: -158.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -1639.088349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.088349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.088349 (E_RNA) where: Base-Base interactions energy: -1154.245 where: short stacking energy: -479.214 Base-Backbone interact. energy: 1.149 local terms energy: -485.992372 where: bonds (distance) C4'-P energy: -74.571 bonds (distance) P-C4' energy: -92.657 flat angles C4'-P-C4' energy: -110.362 flat angles P-C4'-P energy: -65.299 tors. eta vs tors. theta energy: -143.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -1491.957076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.957076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.957076 (E_RNA) where: Base-Base interactions energy: -1053.976 where: short stacking energy: -437.119 Base-Backbone interact. energy: -1.210 local terms energy: -436.771598 where: bonds (distance) C4'-P energy: -76.546 bonds (distance) P-C4' energy: -100.015 flat angles C4'-P-C4' energy: -84.740 flat angles P-C4'-P energy: -51.215 tors. eta vs tors. theta energy: -124.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1372.603006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.603006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.603006 (E_RNA) where: Base-Base interactions energy: -941.560 where: short stacking energy: -395.988 Base-Backbone interact. energy: -1.790 local terms energy: -429.252939 where: bonds (distance) C4'-P energy: -69.860 bonds (distance) P-C4' energy: -74.858 flat angles C4'-P-C4' energy: -99.699 flat angles P-C4'-P energy: -71.052 tors. eta vs tors. theta energy: -113.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1275.985116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.985116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.985116 (E_RNA) where: Base-Base interactions energy: -860.578 where: short stacking energy: -354.105 Base-Backbone interact. energy: -0.454 local terms energy: -414.953890 where: bonds (distance) C4'-P energy: -95.882 bonds (distance) P-C4' energy: -80.287 flat angles C4'-P-C4' energy: -83.020 flat angles P-C4'-P energy: -61.686 tors. eta vs tors. theta energy: -94.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -1088.650462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.650462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.650462 (E_RNA) where: Base-Base interactions energy: -728.105 where: short stacking energy: -311.568 Base-Backbone interact. energy: -0.591 local terms energy: -359.955190 where: bonds (distance) C4'-P energy: -71.645 bonds (distance) P-C4' energy: -84.165 flat angles C4'-P-C4' energy: -77.414 flat angles P-C4'-P energy: -53.471 tors. eta vs tors. theta energy: -73.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -821.708022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.708022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.708022 (E_RNA) where: Base-Base interactions energy: -498.637 where: short stacking energy: -232.019 Base-Backbone interact. energy: 1.721 local terms energy: -324.792071 where: bonds (distance) C4'-P energy: -82.755 bonds (distance) P-C4' energy: -84.446 flat angles C4'-P-C4' energy: -75.135 flat angles P-C4'-P energy: -49.321 tors. eta vs tors. theta energy: -33.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1911.706358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.706358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.706358 (E_RNA) where: Base-Base interactions energy: -1358.040 where: short stacking energy: -535.274 Base-Backbone interact. energy: -1.563 local terms energy: -552.103138 where: bonds (distance) C4'-P energy: -88.693 bonds (distance) P-C4' energy: -103.855 flat angles C4'-P-C4' energy: -114.695 flat angles P-C4'-P energy: -81.196 tors. eta vs tors. theta energy: -163.663 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: 9 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1829.178963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.178963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.178963 (E_RNA) where: Base-Base interactions energy: -1322.482 where: short stacking energy: -523.293 Base-Backbone interact. energy: 0.405 local terms energy: -507.102574 where: bonds (distance) C4'-P energy: -91.271 bonds (distance) P-C4' energy: -84.216 flat angles C4'-P-C4' energy: -104.598 flat angles P-C4'-P energy: -78.032 tors. eta vs tors. theta energy: -148.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1736.783139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.783139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.783139 (E_RNA) where: Base-Base interactions energy: -1215.996 where: short stacking energy: -481.925 Base-Backbone interact. energy: -1.579 local terms energy: -519.208256 where: bonds (distance) C4'-P energy: -85.577 bonds (distance) P-C4' energy: -88.886 flat angles C4'-P-C4' energy: -115.850 flat angles P-C4'-P energy: -76.199 tors. eta vs tors. theta energy: -152.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1689.858004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.858004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.858004 (E_RNA) where: Base-Base interactions energy: -1178.161 where: short stacking energy: -490.338 Base-Backbone interact. energy: -1.098 local terms energy: -510.598562 where: bonds (distance) C4'-P energy: -100.727 bonds (distance) P-C4' energy: -94.774 flat angles C4'-P-C4' energy: -101.058 flat angles P-C4'-P energy: -66.928 tors. eta vs tors. theta energy: -147.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -1604.525079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.525079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.525079 (E_RNA) where: Base-Base interactions energy: -1113.132 where: short stacking energy: -456.850 Base-Backbone interact. energy: -2.647 local terms energy: -488.746596 where: bonds (distance) C4'-P energy: -83.186 bonds (distance) P-C4' energy: -91.311 flat angles C4'-P-C4' energy: -102.720 flat angles P-C4'-P energy: -68.194 tors. eta vs tors. theta energy: -143.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1510.823728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.823728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.823728 (E_RNA) where: Base-Base interactions energy: -1053.783 where: short stacking energy: -414.222 Base-Backbone interact. energy: -2.188 local terms energy: -454.852445 where: bonds (distance) C4'-P energy: -92.804 bonds (distance) P-C4' energy: -92.245 flat angles C4'-P-C4' energy: -98.270 flat angles P-C4'-P energy: -55.682 tors. eta vs tors. theta energy: -115.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1338.467874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.467874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.467874 (E_RNA) where: Base-Base interactions energy: -898.799 where: short stacking energy: -377.347 Base-Backbone interact. energy: 0.018 local terms energy: -439.687486 where: bonds (distance) C4'-P energy: -84.374 bonds (distance) P-C4' energy: -85.372 flat angles C4'-P-C4' energy: -102.480 flat angles P-C4'-P energy: -48.349 tors. eta vs tors. theta energy: -119.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1272.379766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.379766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.379766 (E_RNA) where: Base-Base interactions energy: -846.146 where: short stacking energy: -358.586 Base-Backbone interact. energy: 2.457 local terms energy: -428.691126 where: bonds (distance) C4'-P energy: -92.513 bonds (distance) P-C4' energy: -85.616 flat angles C4'-P-C4' energy: -98.025 flat angles P-C4'-P energy: -54.721 tors. eta vs tors. theta energy: -97.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -1069.905442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.905442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.905442 (E_RNA) where: Base-Base interactions energy: -697.510 where: short stacking energy: -289.085 Base-Backbone interact. energy: -0.510 local terms energy: -371.885934 where: bonds (distance) C4'-P energy: -83.760 bonds (distance) P-C4' energy: -71.910 flat angles C4'-P-C4' energy: -92.330 flat angles P-C4'-P energy: -42.661 tors. eta vs tors. theta energy: -81.225 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: 10, replica: 7 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -799.068861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.068861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.068861 (E_RNA) where: Base-Base interactions energy: -499.668 where: short stacking energy: -223.934 Base-Backbone interact. energy: 0.308 local terms energy: -299.708443 where: bonds (distance) C4'-P energy: -86.081 bonds (distance) P-C4' energy: -67.379 flat angles C4'-P-C4' energy: -74.517 flat angles P-C4'-P energy: -52.635 tors. eta vs tors. theta energy: -19.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1903.346416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.346416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.346416 (E_RNA) where: Base-Base interactions energy: -1339.491 where: short stacking energy: -531.304 Base-Backbone interact. energy: -0.716 local terms energy: -563.139201 where: bonds (distance) C4'-P energy: -100.386 bonds (distance) P-C4' energy: -99.061 flat angles C4'-P-C4' energy: -117.149 flat angles P-C4'-P energy: -83.028 tors. eta vs tors. theta energy: -163.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1821.259912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.259912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.259912 (E_RNA) where: Base-Base interactions energy: -1294.101 where: short stacking energy: -517.645 Base-Backbone interact. energy: -1.936 local terms energy: -525.223221 where: bonds (distance) C4'-P energy: -87.750 bonds (distance) P-C4' energy: -97.791 flat angles C4'-P-C4' energy: -107.347 flat angles P-C4'-P energy: -77.482 tors. eta vs tors. theta energy: -154.853 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: 3 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1736.194143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.194143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.194143 (E_RNA) where: Base-Base interactions energy: -1215.884 where: short stacking energy: -500.960 Base-Backbone interact. energy: -1.129 local terms energy: -519.181165 where: bonds (distance) C4'-P energy: -100.735 bonds (distance) P-C4' energy: -90.007 flat angles C4'-P-C4' energy: -104.360 flat angles P-C4'-P energy: -65.455 tors. eta vs tors. theta energy: -158.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1705.571224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.571224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.571224 (E_RNA) where: Base-Base interactions energy: -1187.299 where: short stacking energy: -490.762 Base-Backbone interact. energy: -1.175 local terms energy: -517.097925 where: bonds (distance) C4'-P energy: -97.339 bonds (distance) P-C4' energy: -85.624 flat angles C4'-P-C4' energy: -105.025 flat angles P-C4'-P energy: -75.236 tors. eta vs tors. theta energy: -153.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -1669.678132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.678132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.678132 (E_RNA) where: Base-Base interactions energy: -1156.783 where: short stacking energy: -481.455 Base-Backbone interact. energy: 0.969 local terms energy: -513.863821 where: bonds (distance) C4'-P energy: -84.539 bonds (distance) P-C4' energy: -91.304 flat angles C4'-P-C4' energy: -112.864 flat angles P-C4'-P energy: -68.007 tors. eta vs tors. theta energy: -157.149 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: 2 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -1497.171484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.171484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.171484 (E_RNA) where: Base-Base interactions energy: -1041.544 where: short stacking energy: -435.891 Base-Backbone interact. energy: -1.484 local terms energy: -454.143879 where: bonds (distance) C4'-P energy: -60.137 bonds (distance) P-C4' energy: -87.519 flat angles C4'-P-C4' energy: -99.951 flat angles P-C4'-P energy: -74.037 tors. eta vs tors. theta energy: -132.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1344.225970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.225970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.225970 (E_RNA) where: Base-Base interactions energy: -912.923 where: short stacking energy: -367.530 Base-Backbone interact. energy: -1.939 local terms energy: -429.363278 where: bonds (distance) C4'-P energy: -84.627 bonds (distance) P-C4' energy: -76.118 flat angles C4'-P-C4' energy: -98.215 flat angles P-C4'-P energy: -71.983 tors. eta vs tors. theta energy: -98.421 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: 6 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1274.856048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.856048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.856048 (E_RNA) where: Base-Base interactions energy: -875.157 where: short stacking energy: -368.815 Base-Backbone interact. energy: -1.869 local terms energy: -397.829272 where: bonds (distance) C4'-P energy: -53.880 bonds (distance) P-C4' energy: -83.146 flat angles C4'-P-C4' energy: -91.406 flat angles P-C4'-P energy: -57.057 tors. eta vs tors. theta energy: -112.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -1061.270413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.270413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.270413 (E_RNA) where: Base-Base interactions energy: -687.761 where: short stacking energy: -300.629 Base-Backbone interact. energy: -1.339 local terms energy: -372.169687 where: bonds (distance) C4'-P energy: -76.251 bonds (distance) P-C4' energy: -94.266 flat angles C4'-P-C4' energy: -83.710 flat angles P-C4'-P energy: -47.121 tors. eta vs tors. theta energy: -70.822 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: 7 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -817.886711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.886711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.886711 (E_RNA) where: Base-Base interactions energy: -508.250 where: short stacking energy: -210.731 Base-Backbone interact. energy: -0.818 local terms energy: -308.819114 where: bonds (distance) C4'-P energy: -73.464 bonds (distance) P-C4' energy: -90.582 flat angles C4'-P-C4' energy: -83.615 flat angles P-C4'-P energy: -42.197 tors. eta vs tors. theta energy: -18.960 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: 4 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1901.914647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.914647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.914647 (E_RNA) where: Base-Base interactions energy: -1338.748 where: short stacking energy: -529.591 Base-Backbone interact. energy: -3.188 local terms energy: -559.977941 where: bonds (distance) C4'-P energy: -97.722 bonds (distance) P-C4' energy: -102.322 flat angles C4'-P-C4' energy: -116.306 flat angles P-C4'-P energy: -77.056 tors. eta vs tors. theta energy: -166.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1837.557511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.557511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.557511 (E_RNA) where: Base-Base interactions energy: -1299.681 where: short stacking energy: -510.246 Base-Backbone interact. energy: 0.220 local terms energy: -538.097216 where: bonds (distance) C4'-P energy: -104.662 bonds (distance) P-C4' energy: -94.925 flat angles C4'-P-C4' energy: -109.450 flat angles P-C4'-P energy: -72.687 tors. eta vs tors. theta energy: -156.374 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: 3, replica: 3 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1739.159142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.159142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.159142 (E_RNA) where: Base-Base interactions energy: -1220.189 where: short stacking energy: -503.133 Base-Backbone interact. energy: 6.272 local terms energy: -525.242499 where: bonds (distance) C4'-P energy: -86.039 bonds (distance) P-C4' energy: -83.729 flat angles C4'-P-C4' energy: -115.036 flat angles P-C4'-P energy: -80.731 tors. eta vs tors. theta energy: -159.707 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: 8 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1691.751429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.751429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.751429 (E_RNA) where: Base-Base interactions energy: -1167.436 where: short stacking energy: -471.457 Base-Backbone interact. energy: -0.051 local terms energy: -524.264224 where: bonds (distance) C4'-P energy: -94.377 bonds (distance) P-C4' energy: -95.197 flat angles C4'-P-C4' energy: -113.705 flat angles P-C4'-P energy: -72.576 tors. eta vs tors. theta energy: -148.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -1625.012899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.012899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.012899 (E_RNA) where: Base-Base interactions energy: -1143.753 where: short stacking energy: -452.582 Base-Backbone interact. energy: -1.859 local terms energy: -479.400919 where: bonds (distance) C4'-P energy: -83.692 bonds (distance) P-C4' energy: -81.680 flat angles C4'-P-C4' energy: -97.998 flat angles P-C4'-P energy: -74.124 tors. eta vs tors. theta energy: -141.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -1542.871009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.871009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.871009 (E_RNA) where: Base-Base interactions energy: -1086.303 where: short stacking energy: -410.459 Base-Backbone interact. energy: -0.363 local terms energy: -456.205336 where: bonds (distance) C4'-P energy: -86.243 bonds (distance) P-C4' energy: -88.586 flat angles C4'-P-C4' energy: -91.285 flat angles P-C4'-P energy: -62.896 tors. eta vs tors. theta energy: -127.196 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: 5 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1332.093245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.093245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.093245 (E_RNA) where: Base-Base interactions energy: -915.146 where: short stacking energy: -380.492 Base-Backbone interact. energy: 0.645 local terms energy: -417.591787 where: bonds (distance) C4'-P energy: -82.921 bonds (distance) P-C4' energy: -86.151 flat angles C4'-P-C4' energy: -97.731 flat angles P-C4'-P energy: -50.445 tors. eta vs tors. theta energy: -100.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1275.126734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.126734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.126734 (E_RNA) where: Base-Base interactions energy: -837.460 where: short stacking energy: -353.196 Base-Backbone interact. energy: -2.565 local terms energy: -435.101380 where: bonds (distance) C4'-P energy: -90.442 bonds (distance) P-C4' energy: -90.482 flat angles C4'-P-C4' energy: -98.854 flat angles P-C4'-P energy: -56.048 tors. eta vs tors. theta energy: -99.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -1052.811938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.811938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.811938 (E_RNA) where: Base-Base interactions energy: -688.910 where: short stacking energy: -294.096 Base-Backbone interact. energy: 0.039 local terms energy: -363.940993 where: bonds (distance) C4'-P energy: -73.677 bonds (distance) P-C4' energy: -88.876 flat angles C4'-P-C4' energy: -77.161 flat angles P-C4'-P energy: -57.700 tors. eta vs tors. theta energy: -66.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -818.111078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.111078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.111078 (E_RNA) where: Base-Base interactions energy: -492.619 where: short stacking energy: -238.071 Base-Backbone interact. energy: -2.224 local terms energy: -323.268426 where: bonds (distance) C4'-P energy: -77.351 bonds (distance) P-C4' energy: -80.327 flat angles C4'-P-C4' energy: -75.372 flat angles P-C4'-P energy: -46.785 tors. eta vs tors. theta energy: -43.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1888.294058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.294058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.294058 (E_RNA) where: Base-Base interactions energy: -1330.277 where: short stacking energy: -534.037 Base-Backbone interact. energy: -0.142 local terms energy: -557.874315 where: bonds (distance) C4'-P energy: -95.164 bonds (distance) P-C4' energy: -93.088 flat angles C4'-P-C4' energy: -113.523 flat angles P-C4'-P energy: -90.711 tors. eta vs tors. theta energy: -165.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1819.767749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.767749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.767749 (E_RNA) where: Base-Base interactions energy: -1302.794 where: short stacking energy: -502.973 Base-Backbone interact. energy: -3.366 local terms energy: -513.608393 where: bonds (distance) C4'-P energy: -98.899 bonds (distance) P-C4' energy: -91.784 flat angles C4'-P-C4' energy: -111.048 flat angles P-C4'-P energy: -65.014 tors. eta vs tors. theta energy: -146.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1756.827208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.827208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.827208 (E_RNA) where: Base-Base interactions energy: -1211.629 where: short stacking energy: -514.565 Base-Backbone interact. energy: 1.646 local terms energy: -546.844073 where: bonds (distance) C4'-P energy: -90.685 bonds (distance) P-C4' energy: -102.373 flat angles C4'-P-C4' energy: -107.386 flat angles P-C4'-P energy: -83.550 tors. eta vs tors. theta energy: -162.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1697.764571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.764571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.764571 (E_RNA) where: Base-Base interactions energy: -1188.618 where: short stacking energy: -479.722 Base-Backbone interact. energy: -1.880 local terms energy: -507.266038 where: bonds (distance) C4'-P energy: -87.098 bonds (distance) P-C4' energy: -85.160 flat angles C4'-P-C4' energy: -105.925 flat angles P-C4'-P energy: -78.160 tors. eta vs tors. theta energy: -150.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -1676.092170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.092170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.092170 (E_RNA) where: Base-Base interactions energy: -1160.875 where: short stacking energy: -459.738 Base-Backbone interact. energy: 0.076 local terms energy: -515.293999 where: bonds (distance) C4'-P energy: -83.813 bonds (distance) P-C4' energy: -94.856 flat angles C4'-P-C4' energy: -108.635 flat angles P-C4'-P energy: -74.546 tors. eta vs tors. theta energy: -153.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1556.487436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.487436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.487436 (E_RNA) where: Base-Base interactions energy: -1088.108 where: short stacking energy: -432.118 Base-Backbone interact. energy: -0.188 local terms energy: -468.191254 where: bonds (distance) C4'-P energy: -92.930 bonds (distance) P-C4' energy: -89.244 flat angles C4'-P-C4' energy: -105.040 flat angles P-C4'-P energy: -61.734 tors. eta vs tors. theta energy: -119.243 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: 5 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1336.439208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.439208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.439208 (E_RNA) where: Base-Base interactions energy: -885.183 where: short stacking energy: -385.919 Base-Backbone interact. energy: 0.127 local terms energy: -451.383541 where: bonds (distance) C4'-P energy: -81.252 bonds (distance) P-C4' energy: -94.604 flat angles C4'-P-C4' energy: -97.106 flat angles P-C4'-P energy: -61.301 tors. eta vs tors. theta energy: -117.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1270.484538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.484538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.484538 (E_RNA) where: Base-Base interactions energy: -861.701 where: short stacking energy: -349.486 Base-Backbone interact. energy: -1.855 local terms energy: -406.927815 where: bonds (distance) C4'-P energy: -91.378 bonds (distance) P-C4' energy: -85.509 flat angles C4'-P-C4' energy: -80.785 flat angles P-C4'-P energy: -49.668 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: 9, replica: 10 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -1041.814272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.814272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.814272 (E_RNA) where: Base-Base interactions energy: -669.743 where: short stacking energy: -278.133 Base-Backbone interact. energy: 3.593 local terms energy: -375.664545 where: bonds (distance) C4'-P energy: -92.984 bonds (distance) P-C4' energy: -81.311 flat angles C4'-P-C4' energy: -76.795 flat angles P-C4'-P energy: -61.911 tors. eta vs tors. theta energy: -62.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -807.291078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.291078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.291078 (E_RNA) where: Base-Base interactions energy: -497.534 where: short stacking energy: -211.039 Base-Backbone interact. energy: -0.463 local terms energy: -309.294020 where: bonds (distance) C4'-P energy: -72.385 bonds (distance) P-C4' energy: -68.906 flat angles C4'-P-C4' energy: -64.390 flat angles P-C4'-P energy: -62.103 tors. eta vs tors. theta energy: -41.510 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: 1, replica: 4 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1890.636234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.636234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.636234 (E_RNA) where: Base-Base interactions energy: -1369.651 where: short stacking energy: -552.290 Base-Backbone interact. energy: 0.061 local terms energy: -521.046300 where: bonds (distance) C4'-P energy: -87.620 bonds (distance) P-C4' energy: -85.375 flat angles C4'-P-C4' energy: -104.594 flat angles P-C4'-P energy: -80.119 tors. eta vs tors. theta energy: -163.339 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: 439 Temperature: 0.950000 Total energy: -1812.408744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.408744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.408744 (E_RNA) where: Base-Base interactions energy: -1300.434 where: short stacking energy: -508.395 Base-Backbone interact. energy: -1.600 local terms energy: -510.375673 where: bonds (distance) C4'-P energy: -98.643 bonds (distance) P-C4' energy: -85.654 flat angles C4'-P-C4' energy: -108.127 flat angles P-C4'-P energy: -68.642 tors. eta vs tors. theta energy: -149.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -1761.252556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.252556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.252556 (E_RNA) where: Base-Base interactions energy: -1252.639 where: short stacking energy: -526.468 Base-Backbone interact. energy: -0.609 local terms energy: -508.004499 where: bonds (distance) C4'-P energy: -85.124 bonds (distance) P-C4' energy: -88.832 flat angles C4'-P-C4' energy: -102.797 flat angles P-C4'-P energy: -72.429 tors. eta vs tors. theta energy: -158.824 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: 8 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1676.285519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.285519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.285519 (E_RNA) where: Base-Base interactions energy: -1163.101 where: short stacking energy: -468.949 Base-Backbone interact. energy: -1.577 local terms energy: -511.607826 where: bonds (distance) C4'-P energy: -96.476 bonds (distance) P-C4' energy: -92.590 flat angles C4'-P-C4' energy: -100.225 flat angles P-C4'-P energy: -66.989 tors. eta vs tors. theta energy: -155.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -1641.023725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.023725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.023725 (E_RNA) where: Base-Base interactions energy: -1158.893 where: short stacking energy: -452.019 Base-Backbone interact. energy: 2.624 local terms energy: -484.754731 where: bonds (distance) C4'-P energy: -77.993 bonds (distance) P-C4' energy: -86.658 flat angles C4'-P-C4' energy: -108.895 flat angles P-C4'-P energy: -69.287 tors. eta vs tors. theta energy: -141.922 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: 439 Temperature: 1.150000 Total energy: -1532.443115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.443115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.443115 (E_RNA) where: Base-Base interactions energy: -1072.021 where: short stacking energy: -427.779 Base-Backbone interact. energy: -0.258 local terms energy: -460.164341 where: bonds (distance) C4'-P energy: -91.463 bonds (distance) P-C4' energy: -76.900 flat angles C4'-P-C4' energy: -103.586 flat angles P-C4'-P energy: -70.373 tors. eta vs tors. theta energy: -117.842 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: 5 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1310.008604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.008604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.008604 (E_RNA) where: Base-Base interactions energy: -892.313 where: short stacking energy: -373.515 Base-Backbone interact. energy: -2.232 local terms energy: -415.463779 where: bonds (distance) C4'-P energy: -73.775 bonds (distance) P-C4' energy: -80.188 flat angles C4'-P-C4' energy: -91.072 flat angles P-C4'-P energy: -63.242 tors. eta vs tors. theta energy: -107.186 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: 6 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1267.376272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.376272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.376272 (E_RNA) where: Base-Base interactions energy: -863.080 where: short stacking energy: -349.022 Base-Backbone interact. energy: -0.411 local terms energy: -403.885775 where: bonds (distance) C4'-P energy: -75.774 bonds (distance) P-C4' energy: -90.211 flat angles C4'-P-C4' energy: -75.088 flat angles P-C4'-P energy: -59.327 tors. eta vs tors. theta energy: -103.487 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: 10 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -1073.390939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.390939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.390939 (E_RNA) where: Base-Base interactions energy: -689.813 where: short stacking energy: -313.090 Base-Backbone interact. energy: -1.695 local terms energy: -381.882976 where: bonds (distance) C4'-P energy: -74.192 bonds (distance) P-C4' energy: -78.656 flat angles C4'-P-C4' energy: -91.880 flat angles P-C4'-P energy: -56.648 tors. eta vs tors. theta energy: -80.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -789.379175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.379175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.379175 (E_RNA) where: Base-Base interactions energy: -466.949 where: short stacking energy: -200.813 Base-Backbone interact. energy: 3.765 local terms energy: -326.195236 where: bonds (distance) C4'-P energy: -59.912 bonds (distance) P-C4' energy: -85.530 flat angles C4'-P-C4' energy: -78.503 flat angles P-C4'-P energy: -63.474 tors. eta vs tors. theta energy: -38.777 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: 1, replica: 4 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1904.566769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.566769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.566769 (E_RNA) where: Base-Base interactions energy: -1351.618 where: short stacking energy: -534.277 Base-Backbone interact. energy: -1.626 local terms energy: -551.323065 where: bonds (distance) C4'-P energy: -94.551 bonds (distance) P-C4' energy: -96.191 flat angles C4'-P-C4' energy: -117.550 flat angles P-C4'-P energy: -75.453 tors. eta vs tors. theta energy: -167.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1814.134028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.134028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.134028 (E_RNA) where: Base-Base interactions energy: -1293.674 where: short stacking energy: -499.928 Base-Backbone interact. energy: 0.306 local terms energy: -520.765796 where: bonds (distance) C4'-P energy: -91.159 bonds (distance) P-C4' energy: -101.095 flat angles C4'-P-C4' energy: -110.524 flat angles P-C4'-P energy: -63.835 tors. eta vs tors. theta energy: -154.154 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: 3 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1740.924131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.924131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.924131 (E_RNA) where: Base-Base interactions energy: -1206.399 where: short stacking energy: -502.526 Base-Backbone interact. energy: 1.470 local terms energy: -535.995302 where: bonds (distance) C4'-P energy: -91.359 bonds (distance) P-C4' energy: -95.224 flat angles C4'-P-C4' energy: -111.508 flat angles P-C4'-P energy: -78.465 tors. eta vs tors. theta energy: -159.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1684.134874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.134874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.134874 (E_RNA) where: Base-Base interactions energy: -1176.277 where: short stacking energy: -460.219 Base-Backbone interact. energy: -2.561 local terms energy: -505.297076 where: bonds (distance) C4'-P energy: -85.652 bonds (distance) P-C4' energy: -95.617 flat angles C4'-P-C4' energy: -106.158 flat angles P-C4'-P energy: -68.169 tors. eta vs tors. theta energy: -149.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1633.662900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.662900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.662900 (E_RNA) where: Base-Base interactions energy: -1146.407 where: short stacking energy: -457.758 Base-Backbone interact. energy: -2.773 local terms energy: -484.482883 where: bonds (distance) C4'-P energy: -80.844 bonds (distance) P-C4' energy: -84.033 flat angles C4'-P-C4' energy: -105.654 flat angles P-C4'-P energy: -65.559 tors. eta vs tors. theta energy: -148.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -1544.029259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.029259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.029259 (E_RNA) where: Base-Base interactions energy: -1089.216 where: short stacking energy: -441.342 Base-Backbone interact. energy: 0.621 local terms energy: -455.434004 where: bonds (distance) C4'-P energy: -81.330 bonds (distance) P-C4' energy: -78.819 flat angles C4'-P-C4' energy: -86.600 flat angles P-C4'-P energy: -75.582 tors. eta vs tors. theta energy: -133.103 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: 440 Temperature: 1.200000 Total energy: -1296.296553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.296553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.296553 (E_RNA) where: Base-Base interactions energy: -876.524 where: short stacking energy: -375.367 Base-Backbone interact. energy: 0.157 local terms energy: -419.930085 where: bonds (distance) C4'-P energy: -78.221 bonds (distance) P-C4' energy: -70.885 flat angles C4'-P-C4' energy: -99.139 flat angles P-C4'-P energy: -67.762 tors. eta vs tors. theta energy: -103.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -1272.477688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.477688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.477688 (E_RNA) where: Base-Base interactions energy: -878.567 where: short stacking energy: -353.467 Base-Backbone interact. energy: -0.436 local terms energy: -393.474594 where: bonds (distance) C4'-P energy: -69.851 bonds (distance) P-C4' energy: -91.121 flat angles C4'-P-C4' energy: -83.773 flat angles P-C4'-P energy: -57.012 tors. eta vs tors. theta energy: -91.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -1076.300345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.300345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.300345 (E_RNA) where: Base-Base interactions energy: -735.886 where: short stacking energy: -313.241 Base-Backbone interact. energy: 0.314 local terms energy: -340.728895 where: bonds (distance) C4'-P energy: -83.019 bonds (distance) P-C4' energy: -85.596 flat angles C4'-P-C4' energy: -64.082 flat angles P-C4'-P energy: -45.757 tors. eta vs tors. theta energy: -62.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -809.429819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.429819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.429819 (E_RNA) where: Base-Base interactions energy: -505.564 where: short stacking energy: -236.422 Base-Backbone interact. energy: -2.083 local terms energy: -301.782647 where: bonds (distance) C4'-P energy: -66.916 bonds (distance) P-C4' energy: -84.249 flat angles C4'-P-C4' energy: -74.322 flat angles P-C4'-P energy: -39.199 tors. eta vs tors. theta energy: -37.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1921.749560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.749560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.749560 (E_RNA) where: Base-Base interactions energy: -1368.582 where: short stacking energy: -540.869 Base-Backbone interact. energy: -1.562 local terms energy: -551.605757 where: bonds (distance) C4'-P energy: -76.602 bonds (distance) P-C4' energy: -104.378 flat angles C4'-P-C4' energy: -116.034 flat angles P-C4'-P energy: -88.690 tors. eta vs tors. theta energy: -165.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1844.982732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.982732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.982732 (E_RNA) where: Base-Base interactions energy: -1310.309 where: short stacking energy: -538.827 Base-Backbone interact. energy: -1.484 local terms energy: -533.189784 where: bonds (distance) C4'-P energy: -95.563 bonds (distance) P-C4' energy: -94.314 flat angles C4'-P-C4' energy: -105.550 flat angles P-C4'-P energy: -74.266 tors. eta vs tors. theta energy: -163.497 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: 3 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -1748.948980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.948980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.948980 (E_RNA) where: Base-Base interactions energy: -1202.633 where: short stacking energy: -494.459 Base-Backbone interact. energy: 2.282 local terms energy: -548.598080 where: bonds (distance) C4'-P energy: -96.186 bonds (distance) P-C4' energy: -97.483 flat angles C4'-P-C4' energy: -110.138 flat angles P-C4'-P energy: -81.675 tors. eta vs tors. theta energy: -163.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1690.514455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.514455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.514455 (E_RNA) where: Base-Base interactions energy: -1169.447 where: short stacking energy: -474.649 Base-Backbone interact. energy: -0.835 local terms energy: -520.232428 where: bonds (distance) C4'-P energy: -83.638 bonds (distance) P-C4' energy: -91.882 flat angles C4'-P-C4' energy: -117.173 flat angles P-C4'-P energy: -72.349 tors. eta vs tors. theta energy: -155.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -1664.779879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.779879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.779879 (E_RNA) where: Base-Base interactions energy: -1177.473 where: short stacking energy: -485.827 Base-Backbone interact. energy: 3.521 local terms energy: -490.827738 where: bonds (distance) C4'-P energy: -85.073 bonds (distance) P-C4' energy: -74.773 flat angles C4'-P-C4' energy: -109.978 flat angles P-C4'-P energy: -67.888 tors. eta vs tors. theta energy: -153.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -1563.358071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.358071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.358071 (E_RNA) where: Base-Base interactions energy: -1116.687 where: short stacking energy: -447.962 Base-Backbone interact. energy: 1.302 local terms energy: -447.972612 where: bonds (distance) C4'-P energy: -84.615 bonds (distance) P-C4' energy: -61.437 flat angles C4'-P-C4' energy: -102.108 flat angles P-C4'-P energy: -65.268 tors. eta vs tors. theta energy: -134.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1295.367742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.367742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.367742 (E_RNA) where: Base-Base interactions energy: -869.471 where: short stacking energy: -380.713 Base-Backbone interact. energy: -0.490 local terms energy: -425.406656 where: bonds (distance) C4'-P energy: -92.455 bonds (distance) P-C4' energy: -89.056 flat angles C4'-P-C4' energy: -76.563 flat angles P-C4'-P energy: -59.740 tors. eta vs tors. theta energy: -107.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1256.947282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.947282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.947282 (E_RNA) where: Base-Base interactions energy: -864.337 where: short stacking energy: -350.442 Base-Backbone interact. energy: -2.067 local terms energy: -390.544096 where: bonds (distance) C4'-P energy: -66.986 bonds (distance) P-C4' energy: -87.478 flat angles C4'-P-C4' energy: -83.846 flat angles P-C4'-P energy: -61.123 tors. eta vs tors. theta energy: -91.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -1132.480572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.480572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.480572 (E_RNA) where: Base-Base interactions energy: -752.177 where: short stacking energy: -322.223 Base-Backbone interact. energy: -1.333 local terms energy: -378.970356 where: bonds (distance) C4'-P energy: -64.868 bonds (distance) P-C4' energy: -82.397 flat angles C4'-P-C4' energy: -89.970 flat angles P-C4'-P energy: -58.789 tors. eta vs tors. theta energy: -82.946 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: 7 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -753.609736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.609736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.609736 (E_RNA) where: Base-Base interactions energy: -462.425 where: short stacking energy: -219.914 Base-Backbone interact. energy: 0.352 local terms energy: -291.536036 where: bonds (distance) C4'-P energy: -92.340 bonds (distance) P-C4' energy: -64.569 flat angles C4'-P-C4' energy: -75.449 flat angles P-C4'-P energy: -35.566 tors. eta vs tors. theta energy: -23.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -1905.916987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.916987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.916987 (E_RNA) where: Base-Base interactions energy: -1357.722 where: short stacking energy: -539.027 Base-Backbone interact. energy: 0.418 local terms energy: -548.612743 where: bonds (distance) C4'-P energy: -95.334 bonds (distance) P-C4' energy: -105.861 flat angles C4'-P-C4' energy: -108.535 flat angles P-C4'-P energy: -75.760 tors. eta vs tors. theta energy: -163.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1859.222916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.222916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.222916 (E_RNA) where: Base-Base interactions energy: -1325.119 where: short stacking energy: -511.276 Base-Backbone interact. energy: -1.296 local terms energy: -532.808095 where: bonds (distance) C4'-P energy: -90.800 bonds (distance) P-C4' energy: -89.040 flat angles C4'-P-C4' energy: -121.108 flat angles P-C4'-P energy: -74.255 tors. eta vs tors. theta energy: -157.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1748.083265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.083265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.083265 (E_RNA) where: Base-Base interactions energy: -1223.957 where: short stacking energy: -517.669 Base-Backbone interact. energy: -1.093 local terms energy: -523.033568 where: bonds (distance) C4'-P energy: -73.685 bonds (distance) P-C4' energy: -94.573 flat angles C4'-P-C4' energy: -109.120 flat angles P-C4'-P energy: -82.983 tors. eta vs tors. theta energy: -162.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -1688.416006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.416006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.416006 (E_RNA) where: Base-Base interactions energy: -1164.896 where: short stacking energy: -480.028 Base-Backbone interact. energy: -1.795 local terms energy: -521.724687 where: bonds (distance) C4'-P energy: -96.276 bonds (distance) P-C4' energy: -97.580 flat angles C4'-P-C4' energy: -99.302 flat angles P-C4'-P energy: -68.128 tors. eta vs tors. theta energy: -160.438 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: 1 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -1669.274554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.274554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.274554 (E_RNA) where: Base-Base interactions energy: -1159.137 where: short stacking energy: -472.821 Base-Backbone interact. energy: -1.941 local terms energy: -508.196243 where: bonds (distance) C4'-P energy: -86.673 bonds (distance) P-C4' energy: -100.503 flat angles C4'-P-C4' energy: -112.524 flat angles P-C4'-P energy: -62.014 tors. eta vs tors. theta energy: -146.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -1650.166280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.166280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.166280 (E_RNA) where: Base-Base interactions energy: -1158.808 where: short stacking energy: -443.415 Base-Backbone interact. energy: -1.262 local terms energy: -490.096057 where: bonds (distance) C4'-P energy: -91.506 bonds (distance) P-C4' energy: -97.457 flat angles C4'-P-C4' energy: -106.040 flat angles P-C4'-P energy: -58.650 tors. eta vs tors. theta energy: -136.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1321.169576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.169576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.169576 (E_RNA) where: Base-Base interactions energy: -920.370 where: short stacking energy: -386.642 Base-Backbone interact. energy: 0.793 local terms energy: -401.592784 where: bonds (distance) C4'-P energy: -62.637 bonds (distance) P-C4' energy: -79.544 flat angles C4'-P-C4' energy: -91.571 flat angles P-C4'-P energy: -58.872 tors. eta vs tors. theta energy: -108.969 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: 8, replica: 6 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1246.771312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.771312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.771312 (E_RNA) where: Base-Base interactions energy: -818.283 where: short stacking energy: -340.452 Base-Backbone interact. energy: -0.868 local terms energy: -427.619809 where: bonds (distance) C4'-P energy: -84.526 bonds (distance) P-C4' energy: -87.453 flat angles C4'-P-C4' energy: -93.411 flat angles P-C4'-P energy: -60.654 tors. eta vs tors. theta energy: -101.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -1171.012665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.012665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.012665 (E_RNA) where: Base-Base interactions energy: -797.883 where: short stacking energy: -322.650 Base-Backbone interact. energy: -2.057 local terms energy: -371.073023 where: bonds (distance) C4'-P energy: -78.832 bonds (distance) P-C4' energy: -75.078 flat angles C4'-P-C4' energy: -86.752 flat angles P-C4'-P energy: -53.733 tors. eta vs tors. theta energy: -76.679 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: 442 Temperature: 1.350000 Total energy: -781.150097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.150097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.150097 (E_RNA) where: Base-Base interactions energy: -463.600 where: short stacking energy: -214.540 Base-Backbone interact. energy: -0.206 local terms energy: -317.344161 where: bonds (distance) C4'-P energy: -84.878 bonds (distance) P-C4' energy: -75.811 flat angles C4'-P-C4' energy: -66.952 flat angles P-C4'-P energy: -43.463 tors. eta vs tors. theta energy: -46.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1937.954721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.954721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.954721 (E_RNA) where: Base-Base interactions energy: -1363.476 where: short stacking energy: -550.839 Base-Backbone interact. energy: -0.624 local terms energy: -573.854755 where: bonds (distance) C4'-P energy: -100.605 bonds (distance) P-C4' energy: -103.896 flat angles C4'-P-C4' energy: -115.864 flat angles P-C4'-P energy: -87.253 tors. eta vs tors. theta energy: -166.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1845.084404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.084404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.084404 (E_RNA) where: Base-Base interactions energy: -1300.852 where: short stacking energy: -511.134 Base-Backbone interact. energy: 3.543 local terms energy: -547.775908 where: bonds (distance) C4'-P energy: -101.319 bonds (distance) P-C4' energy: -101.108 flat angles C4'-P-C4' energy: -106.449 flat angles P-C4'-P energy: -81.330 tors. eta vs tors. theta energy: -157.571 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: 3 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1745.171260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.171260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.171260 (E_RNA) where: Base-Base interactions energy: -1235.434 where: short stacking energy: -510.105 Base-Backbone interact. energy: -1.563 local terms energy: -508.174253 where: bonds (distance) C4'-P energy: -86.994 bonds (distance) P-C4' energy: -89.861 flat angles C4'-P-C4' energy: -104.511 flat angles P-C4'-P energy: -66.364 tors. eta vs tors. theta energy: -160.444 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: 1 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1718.605686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.605686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.605686 (E_RNA) where: Base-Base interactions energy: -1202.755 where: short stacking energy: -481.373 Base-Backbone interact. energy: -1.544 local terms energy: -514.306211 where: bonds (distance) C4'-P energy: -94.983 bonds (distance) P-C4' energy: -98.003 flat angles C4'-P-C4' energy: -98.878 flat angles P-C4'-P energy: -71.989 tors. eta vs tors. theta energy: -150.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -1641.431269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.431269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.431269 (E_RNA) where: Base-Base interactions energy: -1154.812 where: short stacking energy: -462.983 Base-Backbone interact. energy: -1.161 local terms energy: -485.458000 where: bonds (distance) C4'-P energy: -87.257 bonds (distance) P-C4' energy: -85.902 flat angles C4'-P-C4' energy: -100.123 flat angles P-C4'-P energy: -69.998 tors. eta vs tors. theta energy: -142.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -1635.775936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.775936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.775936 (E_RNA) where: Base-Base interactions energy: -1160.727 where: short stacking energy: -464.467 Base-Backbone interact. energy: 1.659 local terms energy: -476.708315 where: bonds (distance) C4'-P energy: -84.252 bonds (distance) P-C4' energy: -78.484 flat angles C4'-P-C4' energy: -99.962 flat angles P-C4'-P energy: -69.851 tors. eta vs tors. theta energy: -144.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1341.047854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.047854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.047854 (E_RNA) where: Base-Base interactions energy: -926.482 where: short stacking energy: -387.480 Base-Backbone interact. energy: -0.251 local terms energy: -414.315331 where: bonds (distance) C4'-P energy: -78.049 bonds (distance) P-C4' energy: -77.963 flat angles C4'-P-C4' energy: -97.635 flat angles P-C4'-P energy: -57.037 tors. eta vs tors. theta energy: -103.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1230.643600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.643600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.643600 (E_RNA) where: Base-Base interactions energy: -845.099 where: short stacking energy: -357.624 Base-Backbone interact. energy: -2.026 local terms energy: -383.518526 where: bonds (distance) C4'-P energy: -72.670 bonds (distance) P-C4' energy: -82.688 flat angles C4'-P-C4' energy: -66.685 flat angles P-C4'-P energy: -70.427 tors. eta vs tors. theta energy: -91.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -1074.945720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.945720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.945720 (E_RNA) where: Base-Base interactions energy: -717.607 where: short stacking energy: -302.382 Base-Backbone interact. energy: 4.143 local terms energy: -361.481828 where: bonds (distance) C4'-P energy: -87.154 bonds (distance) P-C4' energy: -85.838 flat angles C4'-P-C4' energy: -75.506 flat angles P-C4'-P energy: -50.988 tors. eta vs tors. theta energy: -61.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -787.746238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.746238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.746238 (E_RNA) where: Base-Base interactions energy: -484.185 where: short stacking energy: -206.511 Base-Backbone interact. energy: -1.221 local terms energy: -302.339760 where: bonds (distance) C4'-P energy: -75.222 bonds (distance) P-C4' energy: -85.052 flat angles C4'-P-C4' energy: -68.530 flat angles P-C4'-P energy: -39.278 tors. eta vs tors. theta energy: -34.258 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: 4 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1926.556768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.556768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.556768 (E_RNA) where: Base-Base interactions energy: -1357.551 where: short stacking energy: -541.026 Base-Backbone interact. energy: -0.803 local terms energy: -568.202012 where: bonds (distance) C4'-P energy: -99.129 bonds (distance) P-C4' energy: -103.653 flat angles C4'-P-C4' energy: -116.206 flat angles P-C4'-P energy: -79.359 tors. eta vs tors. theta energy: -169.855 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: 2, replica: 9 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1845.239214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.239214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.239214 (E_RNA) where: Base-Base interactions energy: -1321.827 where: short stacking energy: -531.817 Base-Backbone interact. energy: -0.754 local terms energy: -522.658774 where: bonds (distance) C4'-P energy: -91.468 bonds (distance) P-C4' energy: -95.783 flat angles C4'-P-C4' energy: -101.334 flat angles P-C4'-P energy: -74.361 tors. eta vs tors. theta energy: -159.713 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: 3 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -1758.505133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.505133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.505133 (E_RNA) where: Base-Base interactions energy: -1233.084 where: short stacking energy: -485.635 Base-Backbone interact. energy: -2.357 local terms energy: -523.064400 where: bonds (distance) C4'-P energy: -98.079 bonds (distance) P-C4' energy: -82.589 flat angles C4'-P-C4' energy: -104.827 flat angles P-C4'-P energy: -76.309 tors. eta vs tors. theta energy: -161.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -1696.616737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.616737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.616737 (E_RNA) where: Base-Base interactions energy: -1201.051 where: short stacking energy: -495.454 Base-Backbone interact. energy: 0.314 local terms energy: -495.880277 where: bonds (distance) C4'-P energy: -87.062 bonds (distance) P-C4' energy: -96.031 flat angles C4'-P-C4' energy: -94.938 flat angles P-C4'-P energy: -58.522 tors. eta vs tors. theta energy: -159.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -1707.986528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.986528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.986528 (E_RNA) where: Base-Base interactions energy: -1220.846 where: short stacking energy: -489.352 Base-Backbone interact. energy: 0.356 local terms energy: -487.496252 where: bonds (distance) C4'-P energy: -77.979 bonds (distance) P-C4' energy: -82.082 flat angles C4'-P-C4' energy: -102.279 flat angles P-C4'-P energy: -66.267 tors. eta vs tors. theta energy: -158.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -1585.753869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.753869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.753869 (E_RNA) where: Base-Base interactions energy: -1124.604 where: short stacking energy: -450.510 Base-Backbone interact. energy: -0.625 local terms energy: -460.524968 where: bonds (distance) C4'-P energy: -74.794 bonds (distance) P-C4' energy: -79.652 flat angles C4'-P-C4' energy: -96.701 flat angles P-C4'-P energy: -69.154 tors. eta vs tors. theta energy: -140.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1343.304528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.304528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.304528 (E_RNA) where: Base-Base interactions energy: -921.790 where: short stacking energy: -398.397 Base-Backbone interact. energy: -0.573 local terms energy: -420.940651 where: bonds (distance) C4'-P energy: -81.347 bonds (distance) P-C4' energy: -80.408 flat angles C4'-P-C4' energy: -93.377 flat angles P-C4'-P energy: -56.586 tors. eta vs tors. theta energy: -109.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1233.395416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.395416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.395416 (E_RNA) where: Base-Base interactions energy: -819.449 where: short stacking energy: -377.780 Base-Backbone interact. energy: -0.309 local terms energy: -413.637250 where: bonds (distance) C4'-P energy: -71.260 bonds (distance) P-C4' energy: -90.737 flat angles C4'-P-C4' energy: -98.944 flat angles P-C4'-P energy: -44.636 tors. eta vs tors. theta energy: -108.059 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: 10 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -1056.673244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.673244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.673244 (E_RNA) where: Base-Base interactions energy: -716.000 where: short stacking energy: -302.418 Base-Backbone interact. energy: 0.428 local terms energy: -341.101203 where: bonds (distance) C4'-P energy: -64.370 bonds (distance) P-C4' energy: -76.269 flat angles C4'-P-C4' energy: -78.025 flat angles P-C4'-P energy: -51.678 tors. eta vs tors. theta energy: -70.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -784.063604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.063604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.063604 (E_RNA) where: Base-Base interactions energy: -469.998 where: short stacking energy: -213.496 Base-Backbone interact. energy: -1.973 local terms energy: -312.092750 where: bonds (distance) C4'-P energy: -84.864 bonds (distance) P-C4' energy: -74.605 flat angles C4'-P-C4' energy: -78.714 flat angles P-C4'-P energy: -39.316 tors. eta vs tors. theta energy: -34.593 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: 1, replica: 4 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1899.848205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.848205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.848205 (E_RNA) where: Base-Base interactions energy: -1349.102 where: short stacking energy: -528.396 Base-Backbone interact. energy: -3.343 local terms energy: -547.402616 where: bonds (distance) C4'-P energy: -98.292 bonds (distance) P-C4' energy: -104.668 flat angles C4'-P-C4' energy: -102.404 flat angles P-C4'-P energy: -80.733 tors. eta vs tors. theta energy: -161.305 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: 9 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1843.126517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.126517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.126517 (E_RNA) where: Base-Base interactions energy: -1314.395 where: short stacking energy: -527.147 Base-Backbone interact. energy: -2.277 local terms energy: -526.454184 where: bonds (distance) C4'-P energy: -104.713 bonds (distance) P-C4' energy: -88.576 flat angles C4'-P-C4' energy: -105.245 flat angles P-C4'-P energy: -69.792 tors. eta vs tors. theta energy: -158.127 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: 3, replica: 3 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1777.863738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.863738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.863738 (E_RNA) where: Base-Base interactions energy: -1247.690 where: short stacking energy: -515.734 Base-Backbone interact. energy: -2.219 local terms energy: -527.954629 where: bonds (distance) C4'-P energy: -95.063 bonds (distance) P-C4' energy: -90.812 flat angles C4'-P-C4' energy: -111.229 flat angles P-C4'-P energy: -71.517 tors. eta vs tors. theta energy: -159.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1760.445834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.445834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.445834 (E_RNA) where: Base-Base interactions energy: -1246.732 where: short stacking energy: -497.850 Base-Backbone interact. energy: -0.259 local terms energy: -513.455328 where: bonds (distance) C4'-P energy: -86.746 bonds (distance) P-C4' energy: -89.622 flat angles C4'-P-C4' energy: -104.589 flat angles P-C4'-P energy: -71.189 tors. eta vs tors. theta energy: -161.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1675.171211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.171211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.171211 (E_RNA) where: Base-Base interactions energy: -1194.388 where: short stacking energy: -493.741 Base-Backbone interact. energy: -2.767 local terms energy: -478.016597 where: bonds (distance) C4'-P energy: -76.358 bonds (distance) P-C4' energy: -79.868 flat angles C4'-P-C4' energy: -100.265 flat angles P-C4'-P energy: -63.622 tors. eta vs tors. theta energy: -157.904 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: 8 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -1566.454568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.454568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.454568 (E_RNA) where: Base-Base interactions energy: -1092.559 where: short stacking energy: -428.985 Base-Backbone interact. energy: -1.635 local terms energy: -472.260641 where: bonds (distance) C4'-P energy: -83.941 bonds (distance) P-C4' energy: -93.086 flat angles C4'-P-C4' energy: -91.699 flat angles P-C4'-P energy: -68.197 tors. eta vs tors. theta energy: -135.338 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: 7, replica: 5 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1344.960008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.960008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.960008 (E_RNA) where: Base-Base interactions energy: -923.209 where: short stacking energy: -390.769 Base-Backbone interact. energy: -1.293 local terms energy: -420.458357 where: bonds (distance) C4'-P energy: -77.007 bonds (distance) P-C4' energy: -83.614 flat angles C4'-P-C4' energy: -96.172 flat angles P-C4'-P energy: -53.726 tors. eta vs tors. theta energy: -109.940 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: 6 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -1230.208752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.208752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.208752 (E_RNA) where: Base-Base interactions energy: -829.437 where: short stacking energy: -341.565 Base-Backbone interact. energy: 1.588 local terms energy: -402.359460 where: bonds (distance) C4'-P energy: -85.109 bonds (distance) P-C4' energy: -81.395 flat angles C4'-P-C4' energy: -100.579 flat angles P-C4'-P energy: -49.838 tors. eta vs tors. theta energy: -85.439 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: 10 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -1021.181199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.181199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.181199 (E_RNA) where: Base-Base interactions energy: -647.996 where: short stacking energy: -273.182 Base-Backbone interact. energy: 1.738 local terms energy: -374.923069 where: bonds (distance) C4'-P energy: -90.200 bonds (distance) P-C4' energy: -79.470 flat angles C4'-P-C4' energy: -86.899 flat angles P-C4'-P energy: -53.497 tors. eta vs tors. theta energy: -64.857 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: 7 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -822.689666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.689666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.689666 (E_RNA) where: Base-Base interactions energy: -506.027 where: short stacking energy: -256.922 Base-Backbone interact. energy: -1.715 local terms energy: -314.947863 where: bonds (distance) C4'-P energy: -80.800 bonds (distance) P-C4' energy: -75.396 flat angles C4'-P-C4' energy: -72.102 flat angles P-C4'-P energy: -40.663 tors. eta vs tors. theta energy: -45.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1922.172763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.172763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.172763 (E_RNA) where: Base-Base interactions energy: -1367.784 where: short stacking energy: -546.768 Base-Backbone interact. energy: -0.532 local terms energy: -553.856616 where: bonds (distance) C4'-P energy: -89.084 bonds (distance) P-C4' energy: -94.787 flat angles C4'-P-C4' energy: -116.388 flat angles P-C4'-P energy: -87.170 tors. eta vs tors. theta energy: -166.428 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: 9 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1850.481287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.481287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.481287 (E_RNA) where: Base-Base interactions energy: -1306.959 where: short stacking energy: -510.273 Base-Backbone interact. energy: -0.693 local terms energy: -542.829493 where: bonds (distance) C4'-P energy: -91.739 bonds (distance) P-C4' energy: -93.307 flat angles C4'-P-C4' energy: -113.598 flat angles P-C4'-P energy: -86.834 tors. eta vs tors. theta energy: -157.351 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: 446 Temperature: 1.000000 Total energy: -1761.418942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.418942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.418942 (E_RNA) where: Base-Base interactions energy: -1253.076 where: short stacking energy: -513.928 Base-Backbone interact. energy: 4.651 local terms energy: -512.994222 where: bonds (distance) C4'-P energy: -85.426 bonds (distance) P-C4' energy: -87.923 flat angles C4'-P-C4' energy: -106.273 flat angles P-C4'-P energy: -78.399 tors. eta vs tors. theta energy: -154.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -1730.530609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.530609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.530609 (E_RNA) where: Base-Base interactions energy: -1207.919 where: short stacking energy: -480.567 Base-Backbone interact. energy: 2.235 local terms energy: -524.847045 where: bonds (distance) C4'-P energy: -84.890 bonds (distance) P-C4' energy: -103.870 flat angles C4'-P-C4' energy: -111.907 flat angles P-C4'-P energy: -68.970 tors. eta vs tors. theta energy: -155.210 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: 1 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -1666.223313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.223313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.223313 (E_RNA) where: Base-Base interactions energy: -1164.434 where: short stacking energy: -462.664 Base-Backbone interact. energy: -2.376 local terms energy: -499.413357 where: bonds (distance) C4'-P energy: -91.793 bonds (distance) P-C4' energy: -84.265 flat angles C4'-P-C4' energy: -104.659 flat angles P-C4'-P energy: -69.504 tors. eta vs tors. theta energy: -149.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -1564.146313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.146313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.146313 (E_RNA) where: Base-Base interactions energy: -1104.212 where: short stacking energy: -445.223 Base-Backbone interact. energy: -1.333 local terms energy: -458.600891 where: bonds (distance) C4'-P energy: -80.190 bonds (distance) P-C4' energy: -77.266 flat angles C4'-P-C4' energy: -104.249 flat angles P-C4'-P energy: -69.492 tors. eta vs tors. theta energy: -127.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -1323.379309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.379309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.379309 (E_RNA) where: Base-Base interactions energy: -921.043 where: short stacking energy: -374.112 Base-Backbone interact. energy: -0.152 local terms energy: -402.184694 where: bonds (distance) C4'-P energy: -64.508 bonds (distance) P-C4' energy: -91.073 flat angles C4'-P-C4' energy: -86.729 flat angles P-C4'-P energy: -62.303 tors. eta vs tors. theta energy: -97.572 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: 6 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -1275.207896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.207896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.207896 (E_RNA) where: Base-Base interactions energy: -858.959 where: short stacking energy: -365.685 Base-Backbone interact. energy: -1.083 local terms energy: -415.165298 where: bonds (distance) C4'-P energy: -88.708 bonds (distance) P-C4' energy: -77.044 flat angles C4'-P-C4' energy: -97.132 flat angles P-C4'-P energy: -60.219 tors. eta vs tors. theta energy: -92.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -1049.681419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.681419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.681419 (E_RNA) where: Base-Base interactions energy: -686.359 where: short stacking energy: -284.028 Base-Backbone interact. energy: -1.072 local terms energy: -362.250379 where: bonds (distance) C4'-P energy: -78.187 bonds (distance) P-C4' energy: -81.739 flat angles C4'-P-C4' energy: -96.769 flat angles P-C4'-P energy: -49.405 tors. eta vs tors. theta energy: -56.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -805.815959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.815959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.815959 (E_RNA) where: Base-Base interactions energy: -478.303 where: short stacking energy: -203.136 Base-Backbone interact. energy: -0.577 local terms energy: -326.935184 where: bonds (distance) C4'-P energy: -78.708 bonds (distance) P-C4' energy: -82.369 flat angles C4'-P-C4' energy: -82.074 flat angles P-C4'-P energy: -53.725 tors. eta vs tors. theta energy: -30.059 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: 4 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1902.377105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.377105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.377105 (E_RNA) where: Base-Base interactions energy: -1340.828 where: short stacking energy: -536.244 Base-Backbone interact. energy: -3.148 local terms energy: -558.401335 where: bonds (distance) C4'-P energy: -94.463 bonds (distance) P-C4' energy: -99.572 flat angles C4'-P-C4' energy: -117.294 flat angles P-C4'-P energy: -85.006 tors. eta vs tors. theta energy: -162.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1823.328023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.328023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.328023 (E_RNA) where: Base-Base interactions energy: -1273.639 where: short stacking energy: -518.847 Base-Backbone interact. energy: 1.114 local terms energy: -550.803118 where: bonds (distance) C4'-P energy: -95.297 bonds (distance) P-C4' energy: -99.339 flat angles C4'-P-C4' energy: -111.878 flat angles P-C4'-P energy: -83.339 tors. eta vs tors. theta energy: -160.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1787.253191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.253191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.253191 (E_RNA) where: Base-Base interactions energy: -1270.838 where: short stacking energy: -488.408 Base-Backbone interact. energy: -2.171 local terms energy: -514.244457 where: bonds (distance) C4'-P energy: -84.104 bonds (distance) P-C4' energy: -99.584 flat angles C4'-P-C4' energy: -103.992 flat angles P-C4'-P energy: -77.018 tors. eta vs tors. theta energy: -149.546 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: 447 Temperature: 1.050000 Total energy: -1735.575271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.575271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.575271 (E_RNA) where: Base-Base interactions energy: -1215.865 where: short stacking energy: -489.043 Base-Backbone interact. energy: -3.842 local terms energy: -515.868550 where: bonds (distance) C4'-P energy: -87.246 bonds (distance) P-C4' energy: -101.430 flat angles C4'-P-C4' energy: -106.804 flat angles P-C4'-P energy: -70.099 tors. eta vs tors. theta energy: -150.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -1678.971871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.971871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.971871 (E_RNA) where: Base-Base interactions energy: -1158.192 where: short stacking energy: -468.025 Base-Backbone interact. energy: -1.877 local terms energy: -518.902898 where: bonds (distance) C4'-P energy: -85.409 bonds (distance) P-C4' energy: -91.240 flat angles C4'-P-C4' energy: -110.434 flat angles P-C4'-P energy: -78.591 tors. eta vs tors. theta energy: -153.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1577.185066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.185066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.185066 (E_RNA) where: Base-Base interactions energy: -1098.191 where: short stacking energy: -438.841 Base-Backbone interact. energy: 2.941 local terms energy: -481.934756 where: bonds (distance) C4'-P energy: -87.139 bonds (distance) P-C4' energy: -95.977 flat angles C4'-P-C4' energy: -94.510 flat angles P-C4'-P energy: -67.520 tors. eta vs tors. theta energy: -136.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1345.382768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.382768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.382768 (E_RNA) where: Base-Base interactions energy: -924.484 where: short stacking energy: -378.684 Base-Backbone interact. energy: -1.888 local terms energy: -419.010926 where: bonds (distance) C4'-P energy: -73.725 bonds (distance) P-C4' energy: -87.969 flat angles C4'-P-C4' energy: -89.659 flat angles P-C4'-P energy: -54.192 tors. eta vs tors. theta energy: -113.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -1249.329993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.329993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.329993 (E_RNA) where: Base-Base interactions energy: -831.813 where: short stacking energy: -339.633 Base-Backbone interact. energy: 2.716 local terms energy: -420.233137 where: bonds (distance) C4'-P energy: -82.530 bonds (distance) P-C4' energy: -69.450 flat angles C4'-P-C4' energy: -98.185 flat angles P-C4'-P energy: -72.588 tors. eta vs tors. theta energy: -97.480 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: 10 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -1075.847906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.847906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.847906 (E_RNA) where: Base-Base interactions energy: -715.884 where: short stacking energy: -298.625 Base-Backbone interact. energy: -1.217 local terms energy: -358.747222 where: bonds (distance) C4'-P energy: -76.450 bonds (distance) P-C4' energy: -84.484 flat angles C4'-P-C4' energy: -73.189 flat angles P-C4'-P energy: -48.310 tors. eta vs tors. theta energy: -76.315 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: 447 Temperature: 1.350000 Total energy: -778.541679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.541679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.541679 (E_RNA) where: Base-Base interactions energy: -489.421 where: short stacking energy: -220.041 Base-Backbone interact. energy: 0.116 local terms energy: -289.235943 where: bonds (distance) C4'-P energy: -66.613 bonds (distance) P-C4' energy: -73.072 flat angles C4'-P-C4' energy: -70.045 flat angles P-C4'-P energy: -49.932 tors. eta vs tors. theta energy: -29.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1897.124958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.124958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.124958 (E_RNA) where: Base-Base interactions energy: -1353.337 where: short stacking energy: -528.511 Base-Backbone interact. energy: -2.393 local terms energy: -541.394645 where: bonds (distance) C4'-P energy: -87.871 bonds (distance) P-C4' energy: -93.150 flat angles C4'-P-C4' energy: -113.241 flat angles P-C4'-P energy: -78.860 tors. eta vs tors. theta energy: -168.273 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: 2 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1819.381739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.381739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.381739 (E_RNA) where: Base-Base interactions energy: -1289.541 where: short stacking energy: -523.957 Base-Backbone interact. energy: 1.043 local terms energy: -530.884373 where: bonds (distance) C4'-P energy: -92.810 bonds (distance) P-C4' energy: -90.317 flat angles C4'-P-C4' energy: -106.954 flat angles P-C4'-P energy: -80.802 tors. eta vs tors. theta energy: -160.002 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: 3, replica: 9 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1776.722318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.722318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.722318 (E_RNA) where: Base-Base interactions energy: -1268.624 where: short stacking energy: -490.881 Base-Backbone interact. energy: -2.188 local terms energy: -505.910381 where: bonds (distance) C4'-P energy: -77.552 bonds (distance) P-C4' energy: -95.205 flat angles C4'-P-C4' energy: -112.806 flat angles P-C4'-P energy: -69.403 tors. eta vs tors. theta energy: -150.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -1739.801346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.801346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.801346 (E_RNA) where: Base-Base interactions energy: -1222.444 where: short stacking energy: -502.108 Base-Backbone interact. energy: -1.591 local terms energy: -515.766444 where: bonds (distance) C4'-P energy: -89.138 bonds (distance) P-C4' energy: -89.595 flat angles C4'-P-C4' energy: -103.995 flat angles P-C4'-P energy: -72.205 tors. eta vs tors. theta energy: -160.833 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: 5, replica: 8 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -1620.897610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.897610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.897610 (E_RNA) where: Base-Base interactions energy: -1131.819 where: short stacking energy: -452.062 Base-Backbone interact. energy: -0.460 local terms energy: -488.618277 where: bonds (distance) C4'-P energy: -85.505 bonds (distance) P-C4' energy: -94.262 flat angles C4'-P-C4' energy: -93.882 flat angles P-C4'-P energy: -68.663 tors. eta vs tors. theta energy: -146.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -1639.950098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.950098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.950098 (E_RNA) where: Base-Base interactions energy: -1158.364 where: short stacking energy: -466.893 Base-Backbone interact. energy: -1.242 local terms energy: -480.343711 where: bonds (distance) C4'-P energy: -82.116 bonds (distance) P-C4' energy: -73.616 flat angles C4'-P-C4' energy: -101.117 flat angles P-C4'-P energy: -75.600 tors. eta vs tors. theta energy: -147.895 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: 5 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1358.164963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.164963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.164963 (E_RNA) where: Base-Base interactions energy: -928.664 where: short stacking energy: -394.255 Base-Backbone interact. energy: -1.161 local terms energy: -428.340712 where: bonds (distance) C4'-P energy: -85.306 bonds (distance) P-C4' energy: -80.911 flat angles C4'-P-C4' energy: -88.552 flat angles P-C4'-P energy: -66.382 tors. eta vs tors. theta energy: -107.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1251.164061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.164061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.164061 (E_RNA) where: Base-Base interactions energy: -846.114 where: short stacking energy: -359.647 Base-Backbone interact. energy: -0.074 local terms energy: -404.975487 where: bonds (distance) C4'-P energy: -84.347 bonds (distance) P-C4' energy: -75.139 flat angles C4'-P-C4' energy: -92.591 flat angles P-C4'-P energy: -59.587 tors. eta vs tors. theta energy: -93.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -1040.201119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.201119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.201119 (E_RNA) where: Base-Base interactions energy: -682.344 where: short stacking energy: -285.124 Base-Backbone interact. energy: 1.302 local terms energy: -359.159198 where: bonds (distance) C4'-P energy: -84.002 bonds (distance) P-C4' energy: -87.890 flat angles C4'-P-C4' energy: -78.472 flat angles P-C4'-P energy: -42.532 tors. eta vs tors. theta energy: -66.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -805.127474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.127474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.127474 (E_RNA) where: Base-Base interactions energy: -475.847 where: short stacking energy: -229.904 Base-Backbone interact. energy: -0.026 local terms energy: -329.254948 where: bonds (distance) C4'-P energy: -75.062 bonds (distance) P-C4' energy: -89.794 flat angles C4'-P-C4' energy: -78.848 flat angles P-C4'-P energy: -44.331 tors. eta vs tors. theta energy: -41.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1915.964634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.964634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.964634 (E_RNA) where: Base-Base interactions energy: -1354.550 where: short stacking energy: -532.021 Base-Backbone interact. energy: -2.923 local terms energy: -558.490972 where: bonds (distance) C4'-P energy: -91.764 bonds (distance) P-C4' energy: -95.206 flat angles C4'-P-C4' energy: -120.569 flat angles P-C4'-P energy: -84.575 tors. eta vs tors. theta energy: -166.377 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: 2 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1810.981448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.981448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.981448 (E_RNA) where: Base-Base interactions energy: -1280.501 where: short stacking energy: -517.454 Base-Backbone interact. energy: 1.054 local terms energy: -531.534543 where: bonds (distance) C4'-P energy: -99.130 bonds (distance) P-C4' energy: -83.200 flat angles C4'-P-C4' energy: -110.629 flat angles P-C4'-P energy: -82.182 tors. eta vs tors. theta energy: -156.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1773.793066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.793066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.793066 (E_RNA) where: Base-Base interactions energy: -1262.570 where: short stacking energy: -494.957 Base-Backbone interact. energy: -0.642 local terms energy: -510.580398 where: bonds (distance) C4'-P energy: -94.532 bonds (distance) P-C4' energy: -93.935 flat angles C4'-P-C4' energy: -107.571 flat angles P-C4'-P energy: -64.144 tors. eta vs tors. theta energy: -150.398 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: 449 Temperature: 1.050000 Total energy: -1697.519645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.519645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.519645 (E_RNA) where: Base-Base interactions energy: -1188.045 where: short stacking energy: -480.227 Base-Backbone interact. energy: -1.917 local terms energy: -507.557352 where: bonds (distance) C4'-P energy: -83.292 bonds (distance) P-C4' energy: -81.063 flat angles C4'-P-C4' energy: -110.292 flat angles P-C4'-P energy: -71.975 tors. eta vs tors. theta energy: -160.936 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: 8 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -1627.160751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.160751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.160751 (E_RNA) where: Base-Base interactions energy: -1160.445 where: short stacking energy: -468.842 Base-Backbone interact. energy: -1.204 local terms energy: -465.512017 where: bonds (distance) C4'-P energy: -75.940 bonds (distance) P-C4' energy: -86.668 flat angles C4'-P-C4' energy: -104.048 flat angles P-C4'-P energy: -62.739 tors. eta vs tors. theta energy: -136.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -1624.983482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.983482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.983482 (E_RNA) where: Base-Base interactions energy: -1131.690 where: short stacking energy: -483.127 Base-Backbone interact. energy: 0.063 local terms energy: -493.356512 where: bonds (distance) C4'-P energy: -80.595 bonds (distance) P-C4' energy: -90.555 flat angles C4'-P-C4' energy: -100.374 flat angles P-C4'-P energy: -77.235 tors. eta vs tors. theta energy: -144.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1321.592488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.592488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.592488 (E_RNA) where: Base-Base interactions energy: -898.375 where: short stacking energy: -378.606 Base-Backbone interact. energy: 1.367 local terms energy: -424.584500 where: bonds (distance) C4'-P energy: -75.501 bonds (distance) P-C4' energy: -94.315 flat angles C4'-P-C4' energy: -92.620 flat angles P-C4'-P energy: -60.932 tors. eta vs tors. theta energy: -101.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1239.415550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.415550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.415550 (E_RNA) where: Base-Base interactions energy: -827.157 where: short stacking energy: -338.649 Base-Backbone interact. energy: 1.388 local terms energy: -413.646555 where: bonds (distance) C4'-P energy: -88.473 bonds (distance) P-C4' energy: -82.086 flat angles C4'-P-C4' energy: -90.469 flat angles P-C4'-P energy: -55.307 tors. eta vs tors. theta energy: -97.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -1072.553929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.553929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.553929 (E_RNA) where: Base-Base interactions energy: -706.247 where: short stacking energy: -307.025 Base-Backbone interact. energy: 3.422 local terms energy: -369.729002 where: bonds (distance) C4'-P energy: -73.548 bonds (distance) P-C4' energy: -70.949 flat angles C4'-P-C4' energy: -83.529 flat angles P-C4'-P energy: -59.965 tors. eta vs tors. theta energy: -81.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -739.433412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.433412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.433412 (E_RNA) where: Base-Base interactions energy: -458.060 where: short stacking energy: -200.981 Base-Backbone interact. energy: 1.318 local terms energy: -282.691337 where: bonds (distance) C4'-P energy: -62.616 bonds (distance) P-C4' energy: -82.755 flat angles C4'-P-C4' energy: -64.551 flat angles P-C4'-P energy: -55.914 tors. eta vs tors. theta energy: -16.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1913.508979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.508979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.508979 (E_RNA) where: Base-Base interactions energy: -1358.375 where: short stacking energy: -550.204 Base-Backbone interact. energy: -0.787 local terms energy: -554.346674 where: bonds (distance) C4'-P energy: -92.812 bonds (distance) P-C4' energy: -101.136 flat angles C4'-P-C4' energy: -113.219 flat angles P-C4'-P energy: -81.234 tors. eta vs tors. theta energy: -165.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1836.181283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.181283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.181283 (E_RNA) where: Base-Base interactions energy: -1286.176 where: short stacking energy: -523.718 Base-Backbone interact. energy: -0.680 local terms energy: -549.326029 where: bonds (distance) C4'-P energy: -77.221 bonds (distance) P-C4' energy: -103.849 flat angles C4'-P-C4' energy: -115.833 flat angles P-C4'-P energy: -89.533 tors. eta vs tors. theta energy: -162.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1757.182117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.182117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.182117 (E_RNA) where: Base-Base interactions energy: -1226.268 where: short stacking energy: -498.941 Base-Backbone interact. energy: -2.192 local terms energy: -528.722622 where: bonds (distance) C4'-P energy: -93.137 bonds (distance) P-C4' energy: -98.183 flat angles C4'-P-C4' energy: -114.892 flat angles P-C4'-P energy: -69.662 tors. eta vs tors. theta energy: -152.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -1709.687965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.687965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.687965 (E_RNA) where: Base-Base interactions energy: -1229.416 where: short stacking energy: -473.585 Base-Backbone interact. energy: 0.203 local terms energy: -480.474575 where: bonds (distance) C4'-P energy: -74.503 bonds (distance) P-C4' energy: -89.544 flat angles C4'-P-C4' energy: -98.123 flat angles P-C4'-P energy: -71.061 tors. eta vs tors. theta energy: -147.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -1697.934170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.934170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.934170 (E_RNA) where: Base-Base interactions energy: -1209.858 where: short stacking energy: -488.362 Base-Backbone interact. energy: -0.047 local terms energy: -488.029680 where: bonds (distance) C4'-P energy: -84.829 bonds (distance) P-C4' energy: -93.791 flat angles C4'-P-C4' energy: -100.999 flat angles P-C4'-P energy: -61.639 tors. eta vs tors. theta energy: -146.773 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: 8 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -1620.704203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.704203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.704203 (E_RNA) where: Base-Base interactions energy: -1134.173 where: short stacking energy: -442.225 Base-Backbone interact. energy: -0.825 local terms energy: -485.705379 where: bonds (distance) C4'-P energy: -78.585 bonds (distance) P-C4' energy: -87.724 flat angles C4'-P-C4' energy: -102.958 flat angles P-C4'-P energy: -62.741 tors. eta vs tors. theta energy: -153.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1344.090656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.090656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.090656 (E_RNA) where: Base-Base interactions energy: -941.766 where: short stacking energy: -409.191 Base-Backbone interact. energy: 0.603 local terms energy: -402.927617 where: bonds (distance) C4'-P energy: -75.850 bonds (distance) P-C4' energy: -79.138 flat angles C4'-P-C4' energy: -79.001 flat angles P-C4'-P energy: -57.452 tors. eta vs tors. theta energy: -111.487 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: 6 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -1276.282756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.282756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.282756 (E_RNA) where: Base-Base interactions energy: -890.874 where: short stacking energy: -374.910 Base-Backbone interact. energy: 0.849 local terms energy: -386.257142 where: bonds (distance) C4'-P energy: -70.197 bonds (distance) P-C4' energy: -69.989 flat angles C4'-P-C4' energy: -93.614 flat angles P-C4'-P energy: -55.095 tors. eta vs tors. theta energy: -97.362 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: 10 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -1122.663456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.663456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.663456 (E_RNA) where: Base-Base interactions energy: -729.036 where: short stacking energy: -326.150 Base-Backbone interact. energy: -0.690 local terms energy: -392.937337 where: bonds (distance) C4'-P energy: -88.639 bonds (distance) P-C4' energy: -73.709 flat angles C4'-P-C4' energy: -97.782 flat angles P-C4'-P energy: -52.800 tors. eta vs tors. theta energy: -80.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -742.132346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.132346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.132346 (E_RNA) where: Base-Base interactions energy: -435.199 where: short stacking energy: -191.615 Base-Backbone interact. energy: -2.058 local terms energy: -304.874637 where: bonds (distance) C4'-P energy: -68.152 bonds (distance) P-C4' energy: -90.632 flat angles C4'-P-C4' energy: -65.300 flat angles P-C4'-P energy: -49.276 tors. eta vs tors. theta energy: -31.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1897.587466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.587466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.587466 (E_RNA) where: Base-Base interactions energy: -1363.171 where: short stacking energy: -543.171 Base-Backbone interact. energy: -1.837 local terms energy: -532.579463 where: bonds (distance) C4'-P energy: -91.666 bonds (distance) P-C4' energy: -87.490 flat angles C4'-P-C4' energy: -113.159 flat angles P-C4'-P energy: -77.948 tors. eta vs tors. theta energy: -162.316 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: 451 Temperature: 0.950000 Total energy: -1826.080260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.080260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.080260 (E_RNA) where: Base-Base interactions energy: -1286.358 where: short stacking energy: -520.276 Base-Backbone interact. energy: -0.330 local terms energy: -539.392737 where: bonds (distance) C4'-P energy: -97.491 bonds (distance) P-C4' energy: -86.600 flat angles C4'-P-C4' energy: -110.195 flat angles P-C4'-P energy: -82.760 tors. eta vs tors. theta energy: -162.346 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: 3, replica: 3 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1738.553585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.553585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.553585 (E_RNA) where: Base-Base interactions energy: -1225.720 where: short stacking energy: -510.480 Base-Backbone interact. energy: -2.680 local terms energy: -510.152839 where: bonds (distance) C4'-P energy: -84.004 bonds (distance) P-C4' energy: -98.584 flat angles C4'-P-C4' energy: -106.791 flat angles P-C4'-P energy: -72.065 tors. eta vs tors. theta energy: -148.709 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: 9 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -1730.237651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.237651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.237651 (E_RNA) where: Base-Base interactions energy: -1245.539 where: short stacking energy: -484.248 Base-Backbone interact. energy: 1.897 local terms energy: -486.595333 where: bonds (distance) C4'-P energy: -75.643 bonds (distance) P-C4' energy: -92.039 flat angles C4'-P-C4' energy: -97.557 flat angles P-C4'-P energy: -72.767 tors. eta vs tors. theta energy: -148.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -1688.178610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.178610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.178610 (E_RNA) where: Base-Base interactions energy: -1205.486 where: short stacking energy: -487.081 Base-Backbone interact. energy: -0.353 local terms energy: -482.339439 where: bonds (distance) C4'-P energy: -90.759 bonds (distance) P-C4' energy: -82.633 flat angles C4'-P-C4' energy: -88.447 flat angles P-C4'-P energy: -72.639 tors. eta vs tors. theta energy: -147.861 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: 8 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -1583.901212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.901212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.901212 (E_RNA) where: Base-Base interactions energy: -1106.764 where: short stacking energy: -451.955 Base-Backbone interact. energy: -0.645 local terms energy: -476.491748 where: bonds (distance) C4'-P energy: -89.604 bonds (distance) P-C4' energy: -74.123 flat angles C4'-P-C4' energy: -103.090 flat angles P-C4'-P energy: -75.693 tors. eta vs tors. theta energy: -133.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1315.140954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.140954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.140954 (E_RNA) where: Base-Base interactions energy: -933.344 where: short stacking energy: -381.662 Base-Backbone interact. energy: 0.102 local terms energy: -381.898529 where: bonds (distance) C4'-P energy: -71.013 bonds (distance) P-C4' energy: -75.264 flat angles C4'-P-C4' energy: -72.199 flat angles P-C4'-P energy: -53.437 tors. eta vs tors. theta energy: -109.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1260.190615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.190615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.190615 (E_RNA) where: Base-Base interactions energy: -839.460 where: short stacking energy: -353.310 Base-Backbone interact. energy: -0.787 local terms energy: -419.943595 where: bonds (distance) C4'-P energy: -91.009 bonds (distance) P-C4' energy: -87.215 flat angles C4'-P-C4' energy: -96.681 flat angles P-C4'-P energy: -47.496 tors. eta vs tors. theta energy: -97.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -1120.099545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.099545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.099545 (E_RNA) where: Base-Base interactions energy: -732.196 where: short stacking energy: -304.452 Base-Backbone interact. energy: -3.114 local terms energy: -384.789535 where: bonds (distance) C4'-P energy: -68.063 bonds (distance) P-C4' energy: -84.521 flat angles C4'-P-C4' energy: -84.380 flat angles P-C4'-P energy: -68.500 tors. eta vs tors. theta energy: -79.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -746.938767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.938767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.938767 (E_RNA) where: Base-Base interactions energy: -453.096 where: short stacking energy: -219.444 Base-Backbone interact. energy: 1.200 local terms energy: -295.042702 where: bonds (distance) C4'-P energy: -60.381 bonds (distance) P-C4' energy: -72.520 flat angles C4'-P-C4' energy: -83.263 flat angles P-C4'-P energy: -42.225 tors. eta vs tors. theta energy: -36.655 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: 4 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1916.148496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.148496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.148496 (E_RNA) where: Base-Base interactions energy: -1378.642 where: short stacking energy: -538.752 Base-Backbone interact. energy: 2.138 local terms energy: -539.644710 where: bonds (distance) C4'-P energy: -86.225 bonds (distance) P-C4' energy: -97.161 flat angles C4'-P-C4' energy: -119.603 flat angles P-C4'-P energy: -79.293 tors. eta vs tors. theta energy: -157.363 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: 452 Temperature: 0.950000 Total energy: -1807.306849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.306849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.306849 (E_RNA) where: Base-Base interactions energy: -1276.351 where: short stacking energy: -516.884 Base-Backbone interact. energy: 6.903 local terms energy: -537.858409 where: bonds (distance) C4'-P energy: -87.723 bonds (distance) P-C4' energy: -102.671 flat angles C4'-P-C4' energy: -111.334 flat angles P-C4'-P energy: -77.519 tors. eta vs tors. theta energy: -158.611 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: 3 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1775.146541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.146541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.146541 (E_RNA) where: Base-Base interactions energy: -1235.294 where: short stacking energy: -522.747 Base-Backbone interact. energy: -0.047 local terms energy: -539.805400 where: bonds (distance) C4'-P energy: -92.598 bonds (distance) P-C4' energy: -92.686 flat angles C4'-P-C4' energy: -113.836 flat angles P-C4'-P energy: -70.303 tors. eta vs tors. theta energy: -170.383 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: 4, replica: 9 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -1730.886213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.886213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.886213 (E_RNA) where: Base-Base interactions energy: -1229.137 where: short stacking energy: -498.683 Base-Backbone interact. energy: -0.319 local terms energy: -501.430549 where: bonds (distance) C4'-P energy: -85.783 bonds (distance) P-C4' energy: -84.453 flat angles C4'-P-C4' energy: -112.318 flat angles P-C4'-P energy: -69.951 tors. eta vs tors. theta energy: -148.926 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: 1 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -1704.428468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.428468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.428468 (E_RNA) where: Base-Base interactions energy: -1204.855 where: short stacking energy: -478.822 Base-Backbone interact. energy: -0.764 local terms energy: -498.809370 where: bonds (distance) C4'-P energy: -87.803 bonds (distance) P-C4' energy: -92.903 flat angles C4'-P-C4' energy: -98.303 flat angles P-C4'-P energy: -69.276 tors. eta vs tors. theta energy: -150.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -1580.356861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.356861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.356861 (E_RNA) where: Base-Base interactions energy: -1097.210 where: short stacking energy: -441.862 Base-Backbone interact. energy: -0.989 local terms energy: -482.158572 where: bonds (distance) C4'-P energy: -97.130 bonds (distance) P-C4' energy: -84.351 flat angles C4'-P-C4' energy: -101.986 flat angles P-C4'-P energy: -60.520 tors. eta vs tors. theta energy: -138.172 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: 7, replica: 5 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1329.790261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.790261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.790261 (E_RNA) where: Base-Base interactions energy: -901.985 where: short stacking energy: -383.172 Base-Backbone interact. energy: 0.029 local terms energy: -427.834247 where: bonds (distance) C4'-P energy: -82.417 bonds (distance) P-C4' energy: -79.304 flat angles C4'-P-C4' energy: -100.481 flat angles P-C4'-P energy: -62.826 tors. eta vs tors. theta energy: -102.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -1252.264638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.264638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.264638 (E_RNA) where: Base-Base interactions energy: -820.569 where: short stacking energy: -333.165 Base-Backbone interact. energy: 2.151 local terms energy: -433.846759 where: bonds (distance) C4'-P energy: -83.132 bonds (distance) P-C4' energy: -84.895 flat angles C4'-P-C4' energy: -99.345 flat angles P-C4'-P energy: -72.107 tors. eta vs tors. theta energy: -94.367 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: 10 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -1092.560205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.560205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.560205 (E_RNA) where: Base-Base interactions energy: -721.774 where: short stacking energy: -301.520 Base-Backbone interact. energy: 1.407 local terms energy: -372.193506 where: bonds (distance) C4'-P energy: -87.725 bonds (distance) P-C4' energy: -82.928 flat angles C4'-P-C4' energy: -72.558 flat angles P-C4'-P energy: -55.375 tors. eta vs tors. theta energy: -73.609 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: 452 Temperature: 1.350000 Total energy: -767.593289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.593289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.593289 (E_RNA) where: Base-Base interactions energy: -467.355 where: short stacking energy: -215.756 Base-Backbone interact. energy: 0.482 local terms energy: -300.720401 where: bonds (distance) C4'-P energy: -80.835 bonds (distance) P-C4' energy: -89.860 flat angles C4'-P-C4' energy: -70.783 flat angles P-C4'-P energy: -29.671 tors. eta vs tors. theta energy: -29.572 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: 1, replica: 4 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1876.775660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.775660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.775660 (E_RNA) where: Base-Base interactions energy: -1329.642 where: short stacking energy: -519.895 Base-Backbone interact. energy: -2.133 local terms energy: -545.000703 where: bonds (distance) C4'-P energy: -101.483 bonds (distance) P-C4' energy: -94.865 flat angles C4'-P-C4' energy: -110.579 flat angles P-C4'-P energy: -82.884 tors. eta vs tors. theta energy: -155.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1804.709794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.709794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.709794 (E_RNA) where: Base-Base interactions energy: -1266.444 where: short stacking energy: -527.154 Base-Backbone interact. energy: -2.128 local terms energy: -536.137724 where: bonds (distance) C4'-P energy: -100.445 bonds (distance) P-C4' energy: -88.727 flat angles C4'-P-C4' energy: -103.512 flat angles P-C4'-P energy: -74.011 tors. eta vs tors. theta energy: -169.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1734.910869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.910869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.910869 (E_RNA) where: Base-Base interactions energy: -1212.576 where: short stacking energy: -490.765 Base-Backbone interact. energy: -0.674 local terms energy: -521.661096 where: bonds (distance) C4'-P energy: -94.764 bonds (distance) P-C4' energy: -91.971 flat angles C4'-P-C4' energy: -98.913 flat angles P-C4'-P energy: -78.813 tors. eta vs tors. theta energy: -157.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -1739.767411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.767411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.767411 (E_RNA) where: Base-Base interactions energy: -1238.258 where: short stacking energy: -485.011 Base-Backbone interact. energy: -2.816 local terms energy: -498.693309 where: bonds (distance) C4'-P energy: -91.748 bonds (distance) P-C4' energy: -83.529 flat angles C4'-P-C4' energy: -103.029 flat angles P-C4'-P energy: -75.156 tors. eta vs tors. theta energy: -145.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -1704.383046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.383046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.383046 (E_RNA) where: Base-Base interactions energy: -1187.732 where: short stacking energy: -501.366 Base-Backbone interact. energy: 0.280 local terms energy: -516.930590 where: bonds (distance) C4'-P energy: -100.280 bonds (distance) P-C4' energy: -86.416 flat angles C4'-P-C4' energy: -100.838 flat angles P-C4'-P energy: -69.105 tors. eta vs tors. theta energy: -160.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -1578.529223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.529223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.529223 (E_RNA) where: Base-Base interactions energy: -1102.037 where: short stacking energy: -434.033 Base-Backbone interact. energy: -2.011 local terms energy: -474.481401 where: bonds (distance) C4'-P energy: -94.283 bonds (distance) P-C4' energy: -81.043 flat angles C4'-P-C4' energy: -100.196 flat angles P-C4'-P energy: -67.154 tors. eta vs tors. theta energy: -131.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1334.549157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.549157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.549157 (E_RNA) where: Base-Base interactions energy: -916.124 where: short stacking energy: -370.864 Base-Backbone interact. energy: -0.836 local terms energy: -417.588812 where: bonds (distance) C4'-P energy: -87.059 bonds (distance) P-C4' energy: -72.550 flat angles C4'-P-C4' energy: -84.223 flat angles P-C4'-P energy: -77.156 tors. eta vs tors. theta energy: -96.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1261.678040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.678040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.678040 (E_RNA) where: Base-Base interactions energy: -840.965 where: short stacking energy: -352.718 Base-Backbone interact. energy: 5.788 local terms energy: -426.500742 where: bonds (distance) C4'-P energy: -81.777 bonds (distance) P-C4' energy: -87.012 flat angles C4'-P-C4' energy: -100.342 flat angles P-C4'-P energy: -50.018 tors. eta vs tors. theta energy: -107.351 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: 10 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -1081.478158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.478158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.478158 (E_RNA) where: Base-Base interactions energy: -730.075 where: short stacking energy: -303.374 Base-Backbone interact. energy: -0.734 local terms energy: -350.668639 where: bonds (distance) C4'-P energy: -70.959 bonds (distance) P-C4' energy: -78.726 flat angles C4'-P-C4' energy: -85.201 flat angles P-C4'-P energy: -52.222 tors. eta vs tors. theta energy: -63.562 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: 453 Temperature: 1.350000 Total energy: -769.038789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.038789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.038789 (E_RNA) where: Base-Base interactions energy: -454.024 where: short stacking energy: -213.185 Base-Backbone interact. energy: 2.123 local terms energy: -317.137688 where: bonds (distance) C4'-P energy: -74.062 bonds (distance) P-C4' energy: -70.810 flat angles C4'-P-C4' energy: -81.836 flat angles P-C4'-P energy: -51.765 tors. eta vs tors. theta energy: -38.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1890.100155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.100155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.100155 (E_RNA) where: Base-Base interactions energy: -1350.625 where: short stacking energy: -535.609 Base-Backbone interact. energy: -0.076 local terms energy: -539.399113 where: bonds (distance) C4'-P energy: -94.332 bonds (distance) P-C4' energy: -100.090 flat angles C4'-P-C4' energy: -98.388 flat angles P-C4'-P energy: -85.448 tors. eta vs tors. theta energy: -161.141 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: 2 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1829.535509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.535509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.535509 (E_RNA) where: Base-Base interactions energy: -1279.613 where: short stacking energy: -512.828 Base-Backbone interact. energy: -1.224 local terms energy: -548.698749 where: bonds (distance) C4'-P energy: -94.828 bonds (distance) P-C4' energy: -99.384 flat angles C4'-P-C4' energy: -116.973 flat angles P-C4'-P energy: -81.308 tors. eta vs tors. theta energy: -156.206 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: 9 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1781.360583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.360583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.360583 (E_RNA) where: Base-Base interactions energy: -1292.237 where: short stacking energy: -489.663 Base-Backbone interact. energy: -2.518 local terms energy: -486.605977 where: bonds (distance) C4'-P energy: -76.166 bonds (distance) P-C4' energy: -89.687 flat angles C4'-P-C4' energy: -109.336 flat angles P-C4'-P energy: -69.809 tors. eta vs tors. theta energy: -141.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -1718.456158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.456158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.456158 (E_RNA) where: Base-Base interactions energy: -1204.437 where: short stacking energy: -493.602 Base-Backbone interact. energy: -0.901 local terms energy: -513.118779 where: bonds (distance) C4'-P energy: -89.515 bonds (distance) P-C4' energy: -85.578 flat angles C4'-P-C4' energy: -103.542 flat angles P-C4'-P energy: -79.501 tors. eta vs tors. theta energy: -154.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -1679.609822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.609822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.609822 (E_RNA) where: Base-Base interactions energy: -1191.516 where: short stacking energy: -480.652 Base-Backbone interact. energy: -0.812 local terms energy: -487.281679 where: bonds (distance) C4'-P energy: -90.659 bonds (distance) P-C4' energy: -90.590 flat angles C4'-P-C4' energy: -95.177 flat angles P-C4'-P energy: -61.340 tors. eta vs tors. theta energy: -149.515 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: 8 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -1573.975275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.975275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.975275 (E_RNA) where: Base-Base interactions energy: -1105.290 where: short stacking energy: -447.154 Base-Backbone interact. energy: -0.499 local terms energy: -468.185993 where: bonds (distance) C4'-P energy: -81.084 bonds (distance) P-C4' energy: -88.756 flat angles C4'-P-C4' energy: -95.429 flat angles P-C4'-P energy: -66.006 tors. eta vs tors. theta energy: -136.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1322.666684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.666684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.666684 (E_RNA) where: Base-Base interactions energy: -903.335 where: short stacking energy: -372.349 Base-Backbone interact. energy: -0.021 local terms energy: -419.310728 where: bonds (distance) C4'-P energy: -84.385 bonds (distance) P-C4' energy: -81.869 flat angles C4'-P-C4' energy: -102.841 flat angles P-C4'-P energy: -51.531 tors. eta vs tors. theta energy: -98.684 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: 8, replica: 6 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -1290.360609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.360609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.360609 (E_RNA) where: Base-Base interactions energy: -871.690 where: short stacking energy: -359.722 Base-Backbone interact. energy: -0.997 local terms energy: -417.673828 where: bonds (distance) C4'-P energy: -77.611 bonds (distance) P-C4' energy: -85.564 flat angles C4'-P-C4' energy: -96.524 flat angles P-C4'-P energy: -58.314 tors. eta vs tors. theta energy: -99.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -1059.449491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.449491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.449491 (E_RNA) where: Base-Base interactions energy: -688.977 where: short stacking energy: -306.330 Base-Backbone interact. energy: -0.125 local terms energy: -370.347084 where: bonds (distance) C4'-P energy: -77.529 bonds (distance) P-C4' energy: -83.809 flat angles C4'-P-C4' energy: -76.389 flat angles P-C4'-P energy: -65.055 tors. eta vs tors. theta energy: -67.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -739.470413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.470413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.470413 (E_RNA) where: Base-Base interactions energy: -435.640 where: short stacking energy: -203.559 Base-Backbone interact. energy: 2.116 local terms energy: -305.946119 where: bonds (distance) C4'-P energy: -86.320 bonds (distance) P-C4' energy: -81.285 flat angles C4'-P-C4' energy: -78.660 flat angles P-C4'-P energy: -38.214 tors. eta vs tors. theta energy: -21.468 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: 1, replica: 4 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1896.004520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.004520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.004520 (E_RNA) where: Base-Base interactions energy: -1340.484 where: short stacking energy: -538.680 Base-Backbone interact. energy: 0.492 local terms energy: -556.012345 where: bonds (distance) C4'-P energy: -98.755 bonds (distance) P-C4' energy: -99.738 flat angles C4'-P-C4' energy: -112.840 flat angles P-C4'-P energy: -79.881 tors. eta vs tors. theta energy: -164.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1847.168439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.168439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.168439 (E_RNA) where: Base-Base interactions energy: -1286.155 where: short stacking energy: -502.580 Base-Backbone interact. energy: -0.435 local terms energy: -560.578464 where: bonds (distance) C4'-P energy: -100.427 bonds (distance) P-C4' energy: -98.086 flat angles C4'-P-C4' energy: -118.385 flat angles P-C4'-P energy: -86.834 tors. eta vs tors. theta energy: -156.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1790.592715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.592715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.592715 (E_RNA) where: Base-Base interactions energy: -1270.661 where: short stacking energy: -514.982 Base-Backbone interact. energy: -0.682 local terms energy: -519.250286 where: bonds (distance) C4'-P energy: -95.493 bonds (distance) P-C4' energy: -75.355 flat angles C4'-P-C4' energy: -108.026 flat angles P-C4'-P energy: -78.786 tors. eta vs tors. theta energy: -161.590 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: 4, replica: 3 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -1732.072351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.072351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.072351 (E_RNA) where: Base-Base interactions energy: -1205.244 where: short stacking energy: -489.319 Base-Backbone interact. energy: 0.221 local terms energy: -527.049574 where: bonds (distance) C4'-P energy: -88.591 bonds (distance) P-C4' energy: -95.864 flat angles C4'-P-C4' energy: -114.157 flat angles P-C4'-P energy: -76.553 tors. eta vs tors. theta energy: -151.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -1668.452790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.452790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.452790 (E_RNA) where: Base-Base interactions energy: -1182.658 where: short stacking energy: -477.747 Base-Backbone interact. energy: -0.793 local terms energy: -485.001734 where: bonds (distance) C4'-P energy: -69.083 bonds (distance) P-C4' energy: -87.240 flat angles C4'-P-C4' energy: -105.121 flat angles P-C4'-P energy: -72.092 tors. eta vs tors. theta energy: -151.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -1599.324922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.324922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.324922 (E_RNA) where: Base-Base interactions energy: -1121.288 where: short stacking energy: -459.133 Base-Backbone interact. energy: 1.951 local terms energy: -479.988251 where: bonds (distance) C4'-P energy: -81.009 bonds (distance) P-C4' energy: -89.043 flat angles C4'-P-C4' energy: -99.034 flat angles P-C4'-P energy: -62.630 tors. eta vs tors. theta energy: -148.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1335.213154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.213154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.213154 (E_RNA) where: Base-Base interactions energy: -887.827 where: short stacking energy: -349.360 Base-Backbone interact. energy: -2.233 local terms energy: -445.153927 where: bonds (distance) C4'-P energy: -97.545 bonds (distance) P-C4' energy: -87.772 flat angles C4'-P-C4' energy: -92.891 flat angles P-C4'-P energy: -66.850 tors. eta vs tors. theta energy: -100.096 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: 455 Temperature: 1.250000 Total energy: -1290.623896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.623896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.623896 (E_RNA) where: Base-Base interactions energy: -893.807 where: short stacking energy: -371.327 Base-Backbone interact. energy: 1.483 local terms energy: -398.299602 where: bonds (distance) C4'-P energy: -72.088 bonds (distance) P-C4' energy: -86.625 flat angles C4'-P-C4' energy: -87.483 flat angles P-C4'-P energy: -52.126 tors. eta vs tors. theta energy: -99.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -1068.118927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.118927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.118927 (E_RNA) where: Base-Base interactions energy: -706.877 where: short stacking energy: -303.907 Base-Backbone interact. energy: -1.767 local terms energy: -359.474906 where: bonds (distance) C4'-P energy: -76.610 bonds (distance) P-C4' energy: -84.030 flat angles C4'-P-C4' energy: -80.465 flat angles P-C4'-P energy: -50.333 tors. eta vs tors. theta energy: -68.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -757.650443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.650443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.650443 (E_RNA) where: Base-Base interactions energy: -428.205 where: short stacking energy: -215.349 Base-Backbone interact. energy: -0.410 local terms energy: -329.035672 where: bonds (distance) C4'-P energy: -79.793 bonds (distance) P-C4' energy: -82.962 flat angles C4'-P-C4' energy: -72.507 flat angles P-C4'-P energy: -40.804 tors. eta vs tors. theta energy: -52.971 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: 4 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1889.948497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.948497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.948497 (E_RNA) where: Base-Base interactions energy: -1332.487 where: short stacking energy: -529.653 Base-Backbone interact. energy: -2.828 local terms energy: -554.633560 where: bonds (distance) C4'-P energy: -104.330 bonds (distance) P-C4' energy: -95.268 flat angles C4'-P-C4' energy: -112.254 flat angles P-C4'-P energy: -81.670 tors. eta vs tors. theta energy: -161.111 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: 9 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1826.798091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.798091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.798091 (E_RNA) where: Base-Base interactions energy: -1289.529 where: short stacking energy: -499.421 Base-Backbone interact. energy: -1.450 local terms energy: -535.818722 where: bonds (distance) C4'-P energy: -85.038 bonds (distance) P-C4' energy: -107.151 flat angles C4'-P-C4' energy: -113.023 flat angles P-C4'-P energy: -75.885 tors. eta vs tors. theta energy: -154.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1770.676190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.676190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.676190 (E_RNA) where: Base-Base interactions energy: -1237.836 where: short stacking energy: -499.812 Base-Backbone interact. energy: -2.734 local terms energy: -530.105886 where: bonds (distance) C4'-P energy: -101.787 bonds (distance) P-C4' energy: -86.105 flat angles C4'-P-C4' energy: -115.912 flat angles P-C4'-P energy: -72.679 tors. eta vs tors. theta energy: -153.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -1741.701381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.701381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.701381 (E_RNA) where: Base-Base interactions energy: -1234.255 where: short stacking energy: -500.841 Base-Backbone interact. energy: -0.843 local terms energy: -506.603374 where: bonds (distance) C4'-P energy: -77.756 bonds (distance) P-C4' energy: -101.619 flat angles C4'-P-C4' energy: -105.515 flat angles P-C4'-P energy: -71.009 tors. eta vs tors. theta energy: -150.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -1667.905738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.905738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.905738 (E_RNA) where: Base-Base interactions energy: -1179.674 where: short stacking energy: -471.853 Base-Backbone interact. energy: 0.781 local terms energy: -489.013094 where: bonds (distance) C4'-P energy: -85.639 bonds (distance) P-C4' energy: -86.135 flat angles C4'-P-C4' energy: -99.845 flat angles P-C4'-P energy: -64.107 tors. eta vs tors. theta energy: -153.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -1584.724154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.724154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.724154 (E_RNA) where: Base-Base interactions energy: -1096.731 where: short stacking energy: -429.918 Base-Backbone interact. energy: -0.668 local terms energy: -487.326073 where: bonds (distance) C4'-P energy: -88.706 bonds (distance) P-C4' energy: -99.134 flat angles C4'-P-C4' energy: -92.861 flat angles P-C4'-P energy: -67.387 tors. eta vs tors. theta energy: -139.238 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: 6 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1325.543955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.543955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.543955 (E_RNA) where: Base-Base interactions energy: -901.821 where: short stacking energy: -393.167 Base-Backbone interact. energy: -0.510 local terms energy: -423.213175 where: bonds (distance) C4'-P energy: -80.673 bonds (distance) P-C4' energy: -76.322 flat angles C4'-P-C4' energy: -96.607 flat angles P-C4'-P energy: -66.461 tors. eta vs tors. theta energy: -103.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1279.874807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.874807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.874807 (E_RNA) where: Base-Base interactions energy: -862.333 where: short stacking energy: -339.797 Base-Backbone interact. energy: 2.259 local terms energy: -419.800663 where: bonds (distance) C4'-P energy: -81.325 bonds (distance) P-C4' energy: -88.049 flat angles C4'-P-C4' energy: -95.371 flat angles P-C4'-P energy: -65.619 tors. eta vs tors. theta energy: -89.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -1093.781439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.781439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.781439 (E_RNA) where: Base-Base interactions energy: -736.929 where: short stacking energy: -302.902 Base-Backbone interact. energy: 2.987 local terms energy: -359.838706 where: bonds (distance) C4'-P energy: -75.124 bonds (distance) P-C4' energy: -90.116 flat angles C4'-P-C4' energy: -72.126 flat angles P-C4'-P energy: -57.117 tors. eta vs tors. theta energy: -65.356 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: 7 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -758.074143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.074143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.074143 (E_RNA) where: Base-Base interactions energy: -429.414 where: short stacking energy: -193.492 Base-Backbone interact. energy: -1.298 local terms energy: -327.361911 where: bonds (distance) C4'-P energy: -71.989 bonds (distance) P-C4' energy: -91.604 flat angles C4'-P-C4' energy: -82.934 flat angles P-C4'-P energy: -54.728 tors. eta vs tors. theta energy: -26.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -1896.049629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.049629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.049629 (E_RNA) where: Base-Base interactions energy: -1348.808 where: short stacking energy: -533.010 Base-Backbone interact. energy: -0.635 local terms energy: -546.606564 where: bonds (distance) C4'-P energy: -95.715 bonds (distance) P-C4' energy: -95.044 flat angles C4'-P-C4' energy: -112.740 flat angles P-C4'-P energy: -82.532 tors. eta vs tors. theta energy: -160.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1842.270865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.270865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.270865 (E_RNA) where: Base-Base interactions energy: -1318.792 where: short stacking energy: -517.759 Base-Backbone interact. energy: -0.087 local terms energy: -523.392597 where: bonds (distance) C4'-P energy: -99.485 bonds (distance) P-C4' energy: -85.124 flat angles C4'-P-C4' energy: -109.120 flat angles P-C4'-P energy: -76.778 tors. eta vs tors. theta energy: -152.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1750.711561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.711561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.711561 (E_RNA) where: Base-Base interactions energy: -1236.898 where: short stacking energy: -499.541 Base-Backbone interact. energy: 0.115 local terms energy: -513.928665 where: bonds (distance) C4'-P energy: -89.751 bonds (distance) P-C4' energy: -88.109 flat angles C4'-P-C4' energy: -107.871 flat angles P-C4'-P energy: -75.187 tors. eta vs tors. theta energy: -153.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -1754.750123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.750123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.750123 (E_RNA) where: Base-Base interactions energy: -1246.267 where: short stacking energy: -511.220 Base-Backbone interact. energy: 0.040 local terms energy: -508.523334 where: bonds (distance) C4'-P energy: -77.890 bonds (distance) P-C4' energy: -88.873 flat angles C4'-P-C4' energy: -102.501 flat angles P-C4'-P energy: -75.328 tors. eta vs tors. theta energy: -163.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -1685.120273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.120273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.120273 (E_RNA) where: Base-Base interactions energy: -1176.655 where: short stacking energy: -470.643 Base-Backbone interact. energy: -0.923 local terms energy: -507.542679 where: bonds (distance) C4'-P energy: -93.643 bonds (distance) P-C4' energy: -97.057 flat angles C4'-P-C4' energy: -99.986 flat angles P-C4'-P energy: -68.766 tors. eta vs tors. theta energy: -148.091 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: 8 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1594.699350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.699350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.699350 (E_RNA) where: Base-Base interactions energy: -1112.764 where: short stacking energy: -452.351 Base-Backbone interact. energy: -1.383 local terms energy: -480.551797 where: bonds (distance) C4'-P energy: -90.085 bonds (distance) P-C4' energy: -80.030 flat angles C4'-P-C4' energy: -105.415 flat angles P-C4'-P energy: -67.412 tors. eta vs tors. theta energy: -137.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1310.687386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.687386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.687386 (E_RNA) where: Base-Base interactions energy: -901.209 where: short stacking energy: -362.191 Base-Backbone interact. energy: -0.794 local terms energy: -408.684320 where: bonds (distance) C4'-P energy: -78.658 bonds (distance) P-C4' energy: -67.921 flat angles C4'-P-C4' energy: -101.841 flat angles P-C4'-P energy: -59.540 tors. eta vs tors. theta energy: -100.724 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: 5 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1342.572328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.572328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.572328 (E_RNA) where: Base-Base interactions energy: -934.382 where: short stacking energy: -390.664 Base-Backbone interact. energy: -0.044 local terms energy: -408.146520 where: bonds (distance) C4'-P energy: -84.807 bonds (distance) P-C4' energy: -61.373 flat angles C4'-P-C4' energy: -87.794 flat angles P-C4'-P energy: -57.622 tors. eta vs tors. theta energy: -116.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -1145.254433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.254433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.254433 (E_RNA) where: Base-Base interactions energy: -783.972 where: short stacking energy: -338.579 Base-Backbone interact. energy: 3.190 local terms energy: -364.472176 where: bonds (distance) C4'-P energy: -68.016 bonds (distance) P-C4' energy: -95.267 flat angles C4'-P-C4' energy: -69.485 flat angles P-C4'-P energy: -50.604 tors. eta vs tors. theta energy: -81.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -788.884578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.884578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.884578 (E_RNA) where: Base-Base interactions energy: -477.771 where: short stacking energy: -216.508 Base-Backbone interact. energy: 3.801 local terms energy: -314.914913 where: bonds (distance) C4'-P energy: -75.481 bonds (distance) P-C4' energy: -68.880 flat angles C4'-P-C4' energy: -85.669 flat angles P-C4'-P energy: -51.201 tors. eta vs tors. theta energy: -33.683 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: 1, replica: 9 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1875.449376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.449376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.449376 (E_RNA) where: Base-Base interactions energy: -1342.599 where: short stacking energy: -517.997 Base-Backbone interact. energy: 0.656 local terms energy: -533.507157 where: bonds (distance) C4'-P energy: -95.132 bonds (distance) P-C4' energy: -90.855 flat angles C4'-P-C4' energy: -117.351 flat angles P-C4'-P energy: -72.260 tors. eta vs tors. theta energy: -157.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1867.104234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.104234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.104234 (E_RNA) where: Base-Base interactions energy: -1321.792 where: short stacking energy: -519.979 Base-Backbone interact. energy: 0.357 local terms energy: -545.669418 where: bonds (distance) C4'-P energy: -90.422 bonds (distance) P-C4' energy: -96.808 flat angles C4'-P-C4' energy: -114.902 flat angles P-C4'-P energy: -84.517 tors. eta vs tors. theta energy: -159.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -1799.857955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.857955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.857955 (E_RNA) where: Base-Base interactions energy: -1277.386 where: short stacking energy: -515.959 Base-Backbone interact. energy: 0.784 local terms energy: -523.255614 where: bonds (distance) C4'-P energy: -81.194 bonds (distance) P-C4' energy: -97.017 flat angles C4'-P-C4' energy: -105.551 flat angles P-C4'-P energy: -83.659 tors. eta vs tors. theta energy: -155.834 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: 458 Temperature: 1.050000 Total energy: -1715.972094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.972094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.972094 (E_RNA) where: Base-Base interactions energy: -1212.505 where: short stacking energy: -490.811 Base-Backbone interact. energy: -1.127 local terms energy: -502.339822 where: bonds (distance) C4'-P energy: -93.671 bonds (distance) P-C4' energy: -73.739 flat angles C4'-P-C4' energy: -108.018 flat angles P-C4'-P energy: -70.242 tors. eta vs tors. theta energy: -156.670 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: 1 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -1621.324475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.324475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.324475 (E_RNA) where: Base-Base interactions energy: -1132.377 where: short stacking energy: -469.473 Base-Backbone interact. energy: 1.082 local terms energy: -490.029090 where: bonds (distance) C4'-P energy: -82.040 bonds (distance) P-C4' energy: -93.888 flat angles C4'-P-C4' energy: -101.715 flat angles P-C4'-P energy: -64.024 tors. eta vs tors. theta energy: -148.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -1565.389021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.389021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.389021 (E_RNA) where: Base-Base interactions energy: -1085.267 where: short stacking energy: -443.106 Base-Backbone interact. energy: -2.269 local terms energy: -477.853372 where: bonds (distance) C4'-P energy: -84.145 bonds (distance) P-C4' energy: -83.236 flat angles C4'-P-C4' energy: -101.717 flat angles P-C4'-P energy: -72.490 tors. eta vs tors. theta energy: -136.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1377.730908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.730908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.730908 (E_RNA) where: Base-Base interactions energy: -932.518 where: short stacking energy: -374.812 Base-Backbone interact. energy: 0.760 local terms energy: -445.973845 where: bonds (distance) C4'-P energy: -97.842 bonds (distance) P-C4' energy: -82.915 flat angles C4'-P-C4' energy: -93.386 flat angles P-C4'-P energy: -66.602 tors. eta vs tors. theta energy: -105.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1286.006994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.006994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.006994 (E_RNA) where: Base-Base interactions energy: -874.437 where: short stacking energy: -365.260 Base-Backbone interact. energy: 3.416 local terms energy: -414.986158 where: bonds (distance) C4'-P energy: -94.927 bonds (distance) P-C4' energy: -75.933 flat angles C4'-P-C4' energy: -84.310 flat angles P-C4'-P energy: -60.572 tors. eta vs tors. theta energy: -99.245 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: 10 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -1094.995404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.995404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.995404 (E_RNA) where: Base-Base interactions energy: -725.330 where: short stacking energy: -306.115 Base-Backbone interact. energy: -1.703 local terms energy: -367.962846 where: bonds (distance) C4'-P energy: -66.268 bonds (distance) P-C4' energy: -82.266 flat angles C4'-P-C4' energy: -90.932 flat angles P-C4'-P energy: -50.220 tors. eta vs tors. theta energy: -78.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -802.334892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.334892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.334892 (E_RNA) where: Base-Base interactions energy: -488.895 where: short stacking energy: -238.690 Base-Backbone interact. energy: 1.467 local terms energy: -314.906560 where: bonds (distance) C4'-P energy: -75.579 bonds (distance) P-C4' energy: -71.631 flat angles C4'-P-C4' energy: -86.294 flat angles P-C4'-P energy: -46.981 tors. eta vs tors. theta energy: -34.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1867.470985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.470985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.470985 (E_RNA) where: Base-Base interactions energy: -1312.967 where: short stacking energy: -514.415 Base-Backbone interact. energy: 0.190 local terms energy: -554.694093 where: bonds (distance) C4'-P energy: -108.017 bonds (distance) P-C4' energy: -108.538 flat angles C4'-P-C4' energy: -111.466 flat angles P-C4'-P energy: -78.254 tors. eta vs tors. theta energy: -148.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1870.374305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.374305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.374305 (E_RNA) where: Base-Base interactions energy: -1327.984 where: short stacking energy: -523.057 Base-Backbone interact. energy: -1.283 local terms energy: -541.107811 where: bonds (distance) C4'-P energy: -93.028 bonds (distance) P-C4' energy: -101.403 flat angles C4'-P-C4' energy: -103.118 flat angles P-C4'-P energy: -82.899 tors. eta vs tors. theta energy: -160.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -1802.439703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.439703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.439703 (E_RNA) where: Base-Base interactions energy: -1269.689 where: short stacking energy: -501.629 Base-Backbone interact. energy: -0.617 local terms energy: -532.133278 where: bonds (distance) C4'-P energy: -91.525 bonds (distance) P-C4' energy: -89.907 flat angles C4'-P-C4' energy: -112.141 flat angles P-C4'-P energy: -86.042 tors. eta vs tors. theta energy: -152.518 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: 4, replica: 3 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -1688.596273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.596273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.596273 (E_RNA) where: Base-Base interactions energy: -1199.567 where: short stacking energy: -484.837 Base-Backbone interact. energy: 1.352 local terms energy: -490.382076 where: bonds (distance) C4'-P energy: -89.725 bonds (distance) P-C4' energy: -77.468 flat angles C4'-P-C4' energy: -96.188 flat angles P-C4'-P energy: -73.277 tors. eta vs tors. theta energy: -153.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -1638.323899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.323899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.323899 (E_RNA) where: Base-Base interactions energy: -1149.659 where: short stacking energy: -474.850 Base-Backbone interact. energy: -2.262 local terms energy: -486.402912 where: bonds (distance) C4'-P energy: -87.480 bonds (distance) P-C4' energy: -89.036 flat angles C4'-P-C4' energy: -93.466 flat angles P-C4'-P energy: -68.404 tors. eta vs tors. theta energy: -148.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -1588.415563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.415563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.415563 (E_RNA) where: Base-Base interactions energy: -1107.027 where: short stacking energy: -445.765 Base-Backbone interact. energy: -2.534 local terms energy: -478.854252 where: bonds (distance) C4'-P energy: -74.321 bonds (distance) P-C4' energy: -86.064 flat angles C4'-P-C4' energy: -96.538 flat angles P-C4'-P energy: -75.548 tors. eta vs tors. theta energy: -146.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1372.722887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.722887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.722887 (E_RNA) where: Base-Base interactions energy: -948.545 where: short stacking energy: -387.086 Base-Backbone interact. energy: -1.445 local terms energy: -422.732951 where: bonds (distance) C4'-P energy: -74.187 bonds (distance) P-C4' energy: -85.232 flat angles C4'-P-C4' energy: -77.956 flat angles P-C4'-P energy: -74.230 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: 8, replica: 6 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1299.576783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.576783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.576783 (E_RNA) where: Base-Base interactions energy: -854.892 where: short stacking energy: -357.583 Base-Backbone interact. energy: 0.507 local terms energy: -445.192045 where: bonds (distance) C4'-P energy: -95.024 bonds (distance) P-C4' energy: -85.266 flat angles C4'-P-C4' energy: -100.710 flat angles P-C4'-P energy: -57.132 tors. eta vs tors. theta energy: -107.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -1126.332778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.332778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.332778 (E_RNA) where: Base-Base interactions energy: -756.014 where: short stacking energy: -325.060 Base-Backbone interact. energy: 0.333 local terms energy: -370.651392 where: bonds (distance) C4'-P energy: -73.080 bonds (distance) P-C4' energy: -92.474 flat angles C4'-P-C4' energy: -69.935 flat angles P-C4'-P energy: -48.939 tors. eta vs tors. theta energy: -86.223 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: 7 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -793.264096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.264096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.264096 (E_RNA) where: Base-Base interactions energy: -465.227 where: short stacking energy: -218.319 Base-Backbone interact. energy: 2.186 local terms energy: -330.223667 where: bonds (distance) C4'-P energy: -83.235 bonds (distance) P-C4' energy: -73.236 flat angles C4'-P-C4' energy: -89.078 flat angles P-C4'-P energy: -55.514 tors. eta vs tors. theta energy: -29.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1849.481230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.481230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.481230 (E_RNA) where: Base-Base interactions energy: -1318.751 where: short stacking energy: -512.106 Base-Backbone interact. energy: -0.260 local terms energy: -530.470652 where: bonds (distance) C4'-P energy: -95.025 bonds (distance) P-C4' energy: -100.622 flat angles C4'-P-C4' energy: -106.235 flat angles P-C4'-P energy: -73.500 tors. eta vs tors. theta energy: -155.089 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: 4 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1877.968739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.968739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.968739 (E_RNA) where: Base-Base interactions energy: -1325.227 where: short stacking energy: -526.393 Base-Backbone interact. energy: -1.338 local terms energy: -551.403622 where: bonds (distance) C4'-P energy: -100.794 bonds (distance) P-C4' energy: -93.163 flat angles C4'-P-C4' energy: -118.501 flat angles P-C4'-P energy: -77.505 tors. eta vs tors. theta energy: -161.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1803.247889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.247889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.247889 (E_RNA) where: Base-Base interactions energy: -1275.628 where: short stacking energy: -510.867 Base-Backbone interact. energy: 0.019 local terms energy: -527.639350 where: bonds (distance) C4'-P energy: -92.399 bonds (distance) P-C4' energy: -107.743 flat angles C4'-P-C4' energy: -100.009 flat angles P-C4'-P energy: -69.508 tors. eta vs tors. theta energy: -157.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -1697.162144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.162144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.162144 (E_RNA) where: Base-Base interactions energy: -1187.286 where: short stacking energy: -490.595 Base-Backbone interact. energy: 4.696 local terms energy: -514.572139 where: bonds (distance) C4'-P energy: -98.046 bonds (distance) P-C4' energy: -86.232 flat angles C4'-P-C4' energy: -108.435 flat angles P-C4'-P energy: -69.756 tors. eta vs tors. theta energy: -152.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -1630.571378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.571378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.571378 (E_RNA) where: Base-Base interactions energy: -1142.880 where: short stacking energy: -474.692 Base-Backbone interact. energy: 0.134 local terms energy: -487.825325 where: bonds (distance) C4'-P energy: -76.659 bonds (distance) P-C4' energy: -85.610 flat angles C4'-P-C4' energy: -105.283 flat angles P-C4'-P energy: -75.439 tors. eta vs tors. theta energy: -144.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -1599.094716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.094716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.094716 (E_RNA) where: Base-Base interactions energy: -1105.580 where: short stacking energy: -453.884 Base-Backbone interact. energy: -2.145 local terms energy: -491.369434 where: bonds (distance) C4'-P energy: -82.398 bonds (distance) P-C4' energy: -84.335 flat angles C4'-P-C4' energy: -108.837 flat angles P-C4'-P energy: -71.973 tors. eta vs tors. theta energy: -143.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1412.433164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.433164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.433164 (E_RNA) where: Base-Base interactions energy: -966.522 where: short stacking energy: -406.749 Base-Backbone interact. energy: 0.117 local terms energy: -446.028632 where: bonds (distance) C4'-P energy: -73.462 bonds (distance) P-C4' energy: -86.636 flat angles C4'-P-C4' energy: -98.743 flat angles P-C4'-P energy: -64.795 tors. eta vs tors. theta energy: -122.392 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: 6 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1261.782288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.782288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.782288 (E_RNA) where: Base-Base interactions energy: -853.906 where: short stacking energy: -367.905 Base-Backbone interact. energy: 2.321 local terms energy: -410.197087 where: bonds (distance) C4'-P energy: -88.988 bonds (distance) P-C4' energy: -70.965 flat angles C4'-P-C4' energy: -93.824 flat angles P-C4'-P energy: -53.302 tors. eta vs tors. theta energy: -103.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -1104.381216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.381216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.381216 (E_RNA) where: Base-Base interactions energy: -735.841 where: short stacking energy: -316.636 Base-Backbone interact. energy: -0.536 local terms energy: -368.003568 where: bonds (distance) C4'-P energy: -68.189 bonds (distance) P-C4' energy: -80.616 flat angles C4'-P-C4' energy: -85.985 flat angles P-C4'-P energy: -51.463 tors. eta vs tors. theta energy: -81.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -826.573906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.573906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.573906 (E_RNA) where: Base-Base interactions energy: -501.082 where: short stacking energy: -238.804 Base-Backbone interact. energy: -0.455 local terms energy: -325.036195 where: bonds (distance) C4'-P energy: -73.602 bonds (distance) P-C4' energy: -67.075 flat angles C4'-P-C4' energy: -83.067 flat angles P-C4'-P energy: -53.058 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: 1, replica: 9 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1855.068434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.068434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.068434 (E_RNA) where: Base-Base interactions energy: -1322.636 where: short stacking energy: -509.716 Base-Backbone interact. energy: -1.528 local terms energy: -530.904597 where: bonds (distance) C4'-P energy: -89.725 bonds (distance) P-C4' energy: -90.893 flat angles C4'-P-C4' energy: -107.661 flat angles P-C4'-P energy: -84.506 tors. eta vs tors. theta energy: -158.120 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: 2, replica: 4 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1885.143292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.143292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.143292 (E_RNA) where: Base-Base interactions energy: -1335.182 where: short stacking energy: -518.868 Base-Backbone interact. energy: -0.910 local terms energy: -549.051214 where: bonds (distance) C4'-P energy: -94.841 bonds (distance) P-C4' energy: -101.195 flat angles C4'-P-C4' energy: -105.118 flat angles P-C4'-P energy: -86.577 tors. eta vs tors. theta energy: -161.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1804.961850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.961850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.961850 (E_RNA) where: Base-Base interactions energy: -1275.167 where: short stacking energy: -519.658 Base-Backbone interact. energy: 4.598 local terms energy: -534.392937 where: bonds (distance) C4'-P energy: -95.633 bonds (distance) P-C4' energy: -96.875 flat angles C4'-P-C4' energy: -110.889 flat angles P-C4'-P energy: -63.556 tors. eta vs tors. theta energy: -167.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -1703.277351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.277351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.277351 (E_RNA) where: Base-Base interactions energy: -1178.989 where: short stacking energy: -488.298 Base-Backbone interact. energy: -2.232 local terms energy: -522.056576 where: bonds (distance) C4'-P energy: -89.581 bonds (distance) P-C4' energy: -95.503 flat angles C4'-P-C4' energy: -106.127 flat angles P-C4'-P energy: -73.312 tors. eta vs tors. theta energy: -157.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -1615.893030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.893030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.893030 (E_RNA) where: Base-Base interactions energy: -1137.764 where: short stacking energy: -458.603 Base-Backbone interact. energy: -0.778 local terms energy: -477.350798 where: bonds (distance) C4'-P energy: -67.818 bonds (distance) P-C4' energy: -97.654 flat angles C4'-P-C4' energy: -104.013 flat angles P-C4'-P energy: -62.979 tors. eta vs tors. theta energy: -144.887 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: 6, replica: 1 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -1627.836447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.836447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.836447 (E_RNA) where: Base-Base interactions energy: -1128.159 where: short stacking energy: -484.775 Base-Backbone interact. energy: -0.639 local terms energy: -499.038217 where: bonds (distance) C4'-P energy: -84.136 bonds (distance) P-C4' energy: -89.465 flat angles C4'-P-C4' energy: -94.423 flat angles P-C4'-P energy: -84.289 tors. eta vs tors. theta energy: -146.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1406.427012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.427012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.427012 (E_RNA) where: Base-Base interactions energy: -970.270 where: short stacking energy: -409.363 Base-Backbone interact. energy: -0.129 local terms energy: -436.027856 where: bonds (distance) C4'-P energy: -65.656 bonds (distance) P-C4' energy: -84.465 flat angles C4'-P-C4' energy: -96.638 flat angles P-C4'-P energy: -61.445 tors. eta vs tors. theta energy: -127.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -1279.360134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.360134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.360134 (E_RNA) where: Base-Base interactions energy: -875.480 where: short stacking energy: -357.773 Base-Backbone interact. energy: -0.540 local terms energy: -403.340222 where: bonds (distance) C4'-P energy: -73.037 bonds (distance) P-C4' energy: -79.324 flat angles C4'-P-C4' energy: -105.091 flat angles P-C4'-P energy: -51.916 tors. eta vs tors. theta energy: -93.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -1109.358341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.358341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.358341 (E_RNA) where: Base-Base interactions energy: -744.625 where: short stacking energy: -319.922 Base-Backbone interact. energy: -0.611 local terms energy: -364.122876 where: bonds (distance) C4'-P energy: -75.393 bonds (distance) P-C4' energy: -78.073 flat angles C4'-P-C4' energy: -86.098 flat angles P-C4'-P energy: -48.936 tors. eta vs tors. theta energy: -75.623 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: 7 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -858.829542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.829542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.829542 (E_RNA) where: Base-Base interactions energy: -534.013 where: short stacking energy: -213.785 Base-Backbone interact. energy: -1.293 local terms energy: -323.523676 where: bonds (distance) C4'-P energy: -81.235 bonds (distance) P-C4' energy: -72.104 flat angles C4'-P-C4' energy: -91.560 flat angles P-C4'-P energy: -53.060 tors. eta vs tors. theta energy: -25.564 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: 462 Temperature: 0.900000 Total energy: -1856.648688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.648688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.648688 (E_RNA) where: Base-Base interactions energy: -1320.617 where: short stacking energy: -514.392 Base-Backbone interact. energy: -1.799 local terms energy: -534.233162 where: bonds (distance) C4'-P energy: -84.803 bonds (distance) P-C4' energy: -104.470 flat angles C4'-P-C4' energy: -113.112 flat angles P-C4'-P energy: -73.077 tors. eta vs tors. theta energy: -158.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1873.084146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.084146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.084146 (E_RNA) where: Base-Base interactions energy: -1341.014 where: short stacking energy: -523.063 Base-Backbone interact. energy: -0.185 local terms energy: -531.885784 where: bonds (distance) C4'-P energy: -84.525 bonds (distance) P-C4' energy: -88.664 flat angles C4'-P-C4' energy: -116.443 flat angles P-C4'-P energy: -78.600 tors. eta vs tors. theta energy: -163.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -1793.346243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.346243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.346243 (E_RNA) where: Base-Base interactions energy: -1253.811 where: short stacking energy: -500.727 Base-Backbone interact. energy: -1.772 local terms energy: -537.762856 where: bonds (distance) C4'-P energy: -84.613 bonds (distance) P-C4' energy: -98.821 flat angles C4'-P-C4' energy: -110.371 flat angles P-C4'-P energy: -81.707 tors. eta vs tors. theta energy: -162.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -1713.917750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.917750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.917750 (E_RNA) where: Base-Base interactions energy: -1194.368 where: short stacking energy: -483.757 Base-Backbone interact. energy: -1.076 local terms energy: -518.473208 where: bonds (distance) C4'-P energy: -95.023 bonds (distance) P-C4' energy: -89.620 flat angles C4'-P-C4' energy: -107.633 flat angles P-C4'-P energy: -71.447 tors. eta vs tors. theta energy: -154.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -1617.428000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.428000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.428000 (E_RNA) where: Base-Base interactions energy: -1140.978 where: short stacking energy: -448.996 Base-Backbone interact. energy: -0.090 local terms energy: -476.359816 where: bonds (distance) C4'-P energy: -91.294 bonds (distance) P-C4' energy: -87.210 flat angles C4'-P-C4' energy: -95.460 flat angles P-C4'-P energy: -64.928 tors. eta vs tors. theta energy: -137.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1630.965807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.965807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.965807 (E_RNA) where: Base-Base interactions energy: -1151.648 where: short stacking energy: -453.708 Base-Backbone interact. energy: -3.240 local terms energy: -476.077222 where: bonds (distance) C4'-P energy: -89.748 bonds (distance) P-C4' energy: -80.165 flat angles C4'-P-C4' energy: -98.720 flat angles P-C4'-P energy: -64.911 tors. eta vs tors. theta energy: -142.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1417.680378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.680378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.680378 (E_RNA) where: Base-Base interactions energy: -993.238 where: short stacking energy: -398.018 Base-Backbone interact. energy: 1.847 local terms energy: -426.289589 where: bonds (distance) C4'-P energy: -90.111 bonds (distance) P-C4' energy: -86.580 flat angles C4'-P-C4' energy: -86.279 flat angles P-C4'-P energy: -52.845 tors. eta vs tors. theta energy: -110.474 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: 462 Temperature: 1.250000 Total energy: -1307.881906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.881906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.881906 (E_RNA) where: Base-Base interactions energy: -887.981 where: short stacking energy: -374.455 Base-Backbone interact. energy: -0.389 local terms energy: -419.511590 where: bonds (distance) C4'-P energy: -79.539 bonds (distance) P-C4' energy: -86.682 flat angles C4'-P-C4' energy: -91.386 flat angles P-C4'-P energy: -65.219 tors. eta vs tors. theta energy: -96.686 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: 10 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -1137.217984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.217984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.217984 (E_RNA) where: Base-Base interactions energy: -768.916 where: short stacking energy: -328.854 Base-Backbone interact. energy: 0.753 local terms energy: -369.055047 where: bonds (distance) C4'-P energy: -80.320 bonds (distance) P-C4' energy: -73.643 flat angles C4'-P-C4' energy: -85.300 flat angles P-C4'-P energy: -44.292 tors. eta vs tors. theta energy: -85.500 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: 7 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -840.464286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.464286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.464286 (E_RNA) where: Base-Base interactions energy: -512.246 where: short stacking energy: -232.494 Base-Backbone interact. energy: 0.010 local terms energy: -328.228023 where: bonds (distance) C4'-P energy: -82.018 bonds (distance) P-C4' energy: -70.051 flat angles C4'-P-C4' energy: -87.459 flat angles P-C4'-P energy: -55.272 tors. eta vs tors. theta energy: -33.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1870.519124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.519124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.519124 (E_RNA) where: Base-Base interactions energy: -1316.407 where: short stacking energy: -515.356 Base-Backbone interact. energy: -1.264 local terms energy: -552.848285 where: bonds (distance) C4'-P energy: -109.019 bonds (distance) P-C4' energy: -102.579 flat angles C4'-P-C4' energy: -111.074 flat angles P-C4'-P energy: -74.032 tors. eta vs tors. theta energy: -156.144 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: 2, replica: 4 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1874.418738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.418738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.418738 (E_RNA) where: Base-Base interactions energy: -1337.725 where: short stacking energy: -520.278 Base-Backbone interact. energy: -0.935 local terms energy: -535.757942 where: bonds (distance) C4'-P energy: -82.040 bonds (distance) P-C4' energy: -96.940 flat angles C4'-P-C4' energy: -114.634 flat angles P-C4'-P energy: -79.710 tors. eta vs tors. theta energy: -162.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1825.990061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.990061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.990061 (E_RNA) where: Base-Base interactions energy: -1278.641 where: short stacking energy: -494.112 Base-Backbone interact. energy: -1.131 local terms energy: -546.217878 where: bonds (distance) C4'-P energy: -82.028 bonds (distance) P-C4' energy: -104.803 flat angles C4'-P-C4' energy: -118.685 flat angles P-C4'-P energy: -84.671 tors. eta vs tors. theta energy: -156.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -1718.520482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.520482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.520482 (E_RNA) where: Base-Base interactions energy: -1203.253 where: short stacking energy: -485.978 Base-Backbone interact. energy: -2.773 local terms energy: -512.494412 where: bonds (distance) C4'-P energy: -79.287 bonds (distance) P-C4' energy: -90.675 flat angles C4'-P-C4' energy: -109.826 flat angles P-C4'-P energy: -76.508 tors. eta vs tors. theta energy: -156.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -1655.263543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.263543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.263543 (E_RNA) where: Base-Base interactions energy: -1166.081 where: short stacking energy: -462.585 Base-Backbone interact. energy: -0.199 local terms energy: -488.983113 where: bonds (distance) C4'-P energy: -87.861 bonds (distance) P-C4' energy: -93.297 flat angles C4'-P-C4' energy: -103.144 flat angles P-C4'-P energy: -70.797 tors. eta vs tors. theta energy: -133.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -1626.075461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.075461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.075461 (E_RNA) where: Base-Base interactions energy: -1151.094 where: short stacking energy: -459.979 Base-Backbone interact. energy: -0.119 local terms energy: -474.862470 where: bonds (distance) C4'-P energy: -79.410 bonds (distance) P-C4' energy: -83.129 flat angles C4'-P-C4' energy: -93.294 flat angles P-C4'-P energy: -74.684 tors. eta vs tors. theta energy: -144.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1413.986406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.986406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.986406 (E_RNA) where: Base-Base interactions energy: -938.168 where: short stacking energy: -386.322 Base-Backbone interact. energy: -1.317 local terms energy: -474.501503 where: bonds (distance) C4'-P energy: -92.987 bonds (distance) P-C4' energy: -101.103 flat angles C4'-P-C4' energy: -97.444 flat angles P-C4'-P energy: -67.679 tors. eta vs tors. theta energy: -115.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -1268.646549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.646549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.646549 (E_RNA) where: Base-Base interactions energy: -868.565 where: short stacking energy: -350.720 Base-Backbone interact. energy: -1.902 local terms energy: -398.179906 where: bonds (distance) C4'-P energy: -71.779 bonds (distance) P-C4' energy: -73.461 flat angles C4'-P-C4' energy: -94.280 flat angles P-C4'-P energy: -60.676 tors. eta vs tors. theta energy: -97.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -1146.162318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.162318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.162318 (E_RNA) where: Base-Base interactions energy: -763.771 where: short stacking energy: -307.196 Base-Backbone interact. energy: 4.512 local terms energy: -386.903281 where: bonds (distance) C4'-P energy: -87.013 bonds (distance) P-C4' energy: -77.336 flat angles C4'-P-C4' energy: -95.360 flat angles P-C4'-P energy: -55.352 tors. eta vs tors. theta energy: -71.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -805.153400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.153400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.153400 (E_RNA) where: Base-Base interactions energy: -508.555 where: short stacking energy: -245.404 Base-Backbone interact. energy: 0.660 local terms energy: -297.258512 where: bonds (distance) C4'-P energy: -75.284 bonds (distance) P-C4' energy: -69.531 flat angles C4'-P-C4' energy: -78.577 flat angles P-C4'-P energy: -32.303 tors. eta vs tors. theta energy: -41.564 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: 4 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1906.295632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.295632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.295632 (E_RNA) where: Base-Base interactions energy: -1345.875 where: short stacking energy: -546.065 Base-Backbone interact. energy: -1.837 local terms energy: -558.583074 where: bonds (distance) C4'-P energy: -101.073 bonds (distance) P-C4' energy: -91.837 flat angles C4'-P-C4' energy: -116.711 flat angles P-C4'-P energy: -80.190 tors. eta vs tors. theta energy: -168.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1839.989741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.989741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.989741 (E_RNA) where: Base-Base interactions energy: -1298.375 where: short stacking energy: -515.796 Base-Backbone interact. energy: -2.366 local terms energy: -539.248436 where: bonds (distance) C4'-P energy: -101.162 bonds (distance) P-C4' energy: -91.281 flat angles C4'-P-C4' energy: -111.857 flat angles P-C4'-P energy: -77.817 tors. eta vs tors. theta energy: -157.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1801.204502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.204502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.204502 (E_RNA) where: Base-Base interactions energy: -1276.401 where: short stacking energy: -501.971 Base-Backbone interact. energy: -2.007 local terms energy: -522.796547 where: bonds (distance) C4'-P energy: -90.849 bonds (distance) P-C4' energy: -88.604 flat angles C4'-P-C4' energy: -107.894 flat angles P-C4'-P energy: -71.471 tors. eta vs tors. theta energy: -163.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -1697.830406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.830406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.830406 (E_RNA) where: Base-Base interactions energy: -1159.588 where: short stacking energy: -473.794 Base-Backbone interact. energy: -0.116 local terms energy: -538.126475 where: bonds (distance) C4'-P energy: -100.716 bonds (distance) P-C4' energy: -102.333 flat angles C4'-P-C4' energy: -109.340 flat angles P-C4'-P energy: -67.758 tors. eta vs tors. theta energy: -157.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -1699.488733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.488733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.488733 (E_RNA) where: Base-Base interactions energy: -1183.984 where: short stacking energy: -481.619 Base-Backbone interact. energy: -1.747 local terms energy: -513.757889 where: bonds (distance) C4'-P energy: -98.404 bonds (distance) P-C4' energy: -75.503 flat angles C4'-P-C4' energy: -109.746 flat angles P-C4'-P energy: -73.018 tors. eta vs tors. theta energy: -157.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -1580.568102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.568102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.568102 (E_RNA) where: Base-Base interactions energy: -1110.920 where: short stacking energy: -433.166 Base-Backbone interact. energy: -2.483 local terms energy: -467.165142 where: bonds (distance) C4'-P energy: -73.836 bonds (distance) P-C4' energy: -90.153 flat angles C4'-P-C4' energy: -100.534 flat angles P-C4'-P energy: -63.212 tors. eta vs tors. theta energy: -139.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1390.628105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.628105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.628105 (E_RNA) where: Base-Base interactions energy: -981.301 where: short stacking energy: -398.374 Base-Backbone interact. energy: 2.838 local terms energy: -412.165110 where: bonds (distance) C4'-P energy: -76.470 bonds (distance) P-C4' energy: -81.416 flat angles C4'-P-C4' energy: -88.376 flat angles P-C4'-P energy: -51.892 tors. eta vs tors. theta energy: -114.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1298.565473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.565473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.565473 (E_RNA) where: Base-Base interactions energy: -870.631 where: short stacking energy: -372.752 Base-Backbone interact. energy: -0.103 local terms energy: -427.832013 where: bonds (distance) C4'-P energy: -81.262 bonds (distance) P-C4' energy: -71.064 flat angles C4'-P-C4' energy: -99.162 flat angles P-C4'-P energy: -66.428 tors. eta vs tors. theta energy: -109.915 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: 9, replica: 10 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -1096.635937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.635937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.635937 (E_RNA) where: Base-Base interactions energy: -724.531 where: short stacking energy: -299.690 Base-Backbone interact. energy: 1.927 local terms energy: -374.032527 where: bonds (distance) C4'-P energy: -73.776 bonds (distance) P-C4' energy: -82.105 flat angles C4'-P-C4' energy: -91.786 flat angles P-C4'-P energy: -56.160 tors. eta vs tors. theta energy: -70.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -805.166391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.166391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.166391 (E_RNA) where: Base-Base interactions energy: -476.381 where: short stacking energy: -212.875 Base-Backbone interact. energy: -0.521 local terms energy: -328.264380 where: bonds (distance) C4'-P energy: -81.037 bonds (distance) P-C4' energy: -98.083 flat angles C4'-P-C4' energy: -82.449 flat angles P-C4'-P energy: -35.161 tors. eta vs tors. theta energy: -31.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1894.213267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.213267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.213267 (E_RNA) where: Base-Base interactions energy: -1353.510 where: short stacking energy: -547.659 Base-Backbone interact. energy: 0.586 local terms energy: -541.289383 where: bonds (distance) C4'-P energy: -93.437 bonds (distance) P-C4' energy: -97.785 flat angles C4'-P-C4' energy: -113.032 flat angles P-C4'-P energy: -74.056 tors. eta vs tors. theta energy: -162.979 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: 2, replica: 9 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1836.104702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.104702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.104702 (E_RNA) where: Base-Base interactions energy: -1303.617 where: short stacking energy: -503.375 Base-Backbone interact. energy: 2.088 local terms energy: -534.575794 where: bonds (distance) C4'-P energy: -96.624 bonds (distance) P-C4' energy: -96.406 flat angles C4'-P-C4' energy: -103.615 flat angles P-C4'-P energy: -81.712 tors. eta vs tors. theta energy: -156.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1807.993961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.993961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.993961 (E_RNA) where: Base-Base interactions energy: -1291.046 where: short stacking energy: -519.497 Base-Backbone interact. energy: -0.777 local terms energy: -516.171187 where: bonds (distance) C4'-P energy: -86.787 bonds (distance) P-C4' energy: -95.002 flat angles C4'-P-C4' energy: -100.154 flat angles P-C4'-P energy: -73.851 tors. eta vs tors. theta energy: -160.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -1723.720846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.720846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.720846 (E_RNA) where: Base-Base interactions energy: -1205.131 where: short stacking energy: -499.928 Base-Backbone interact. energy: -1.031 local terms energy: -517.559031 where: bonds (distance) C4'-P energy: -87.985 bonds (distance) P-C4' energy: -89.976 flat angles C4'-P-C4' energy: -114.226 flat angles P-C4'-P energy: -76.970 tors. eta vs tors. theta energy: -148.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -1694.463941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.463941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.463941 (E_RNA) where: Base-Base interactions energy: -1191.785 where: short stacking energy: -469.985 Base-Backbone interact. energy: 0.084 local terms energy: -502.763404 where: bonds (distance) C4'-P energy: -76.226 bonds (distance) P-C4' energy: -84.611 flat angles C4'-P-C4' energy: -113.562 flat angles P-C4'-P energy: -71.948 tors. eta vs tors. theta energy: -156.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -1586.172850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.172850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.172850 (E_RNA) where: Base-Base interactions energy: -1126.862 where: short stacking energy: -447.151 Base-Backbone interact. energy: -1.423 local terms energy: -457.887663 where: bonds (distance) C4'-P energy: -81.908 bonds (distance) P-C4' energy: -78.703 flat angles C4'-P-C4' energy: -101.228 flat angles P-C4'-P energy: -62.925 tors. eta vs tors. theta energy: -133.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1333.235570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.235570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.235570 (E_RNA) where: Base-Base interactions energy: -915.880 where: short stacking energy: -378.471 Base-Backbone interact. energy: -1.593 local terms energy: -415.762276 where: bonds (distance) C4'-P energy: -71.714 bonds (distance) P-C4' energy: -84.345 flat angles C4'-P-C4' energy: -95.401 flat angles P-C4'-P energy: -65.797 tors. eta vs tors. theta energy: -98.505 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: 6 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1315.037073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.037073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.037073 (E_RNA) where: Base-Base interactions energy: -907.350 where: short stacking energy: -398.191 Base-Backbone interact. energy: -1.610 local terms energy: -406.076893 where: bonds (distance) C4'-P energy: -72.187 bonds (distance) P-C4' energy: -73.255 flat angles C4'-P-C4' energy: -85.523 flat angles P-C4'-P energy: -63.445 tors. eta vs tors. theta energy: -111.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -1179.491590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.491590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.491590 (E_RNA) where: Base-Base interactions energy: -777.173 where: short stacking energy: -325.428 Base-Backbone interact. energy: 0.857 local terms energy: -403.176150 where: bonds (distance) C4'-P energy: -59.159 bonds (distance) P-C4' energy: -95.172 flat angles C4'-P-C4' energy: -96.342 flat angles P-C4'-P energy: -63.866 tors. eta vs tors. theta energy: -88.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -780.546515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.546515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.546515 (E_RNA) where: Base-Base interactions energy: -462.992 where: short stacking energy: -210.024 Base-Backbone interact. energy: 6.571 local terms energy: -324.125497 where: bonds (distance) C4'-P energy: -80.478 bonds (distance) P-C4' energy: -81.270 flat angles C4'-P-C4' energy: -78.937 flat angles P-C4'-P energy: -61.407 tors. eta vs tors. theta energy: -22.034 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: 4 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1889.716396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.716396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.716396 (E_RNA) where: Base-Base interactions energy: -1335.467 where: short stacking energy: -507.014 Base-Backbone interact. energy: -2.190 local terms energy: -552.058914 where: bonds (distance) C4'-P energy: -106.713 bonds (distance) P-C4' energy: -94.226 flat angles C4'-P-C4' energy: -108.249 flat angles P-C4'-P energy: -81.729 tors. eta vs tors. theta energy: -161.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1828.407011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.407011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.407011 (E_RNA) where: Base-Base interactions energy: -1302.148 where: short stacking energy: -508.541 Base-Backbone interact. energy: -2.220 local terms energy: -524.039132 where: bonds (distance) C4'-P energy: -92.941 bonds (distance) P-C4' energy: -92.097 flat angles C4'-P-C4' energy: -115.407 flat angles P-C4'-P energy: -77.367 tors. eta vs tors. theta energy: -146.227 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: 466 Temperature: 1.000000 Total energy: -1816.961799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.961799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.961799 (E_RNA) where: Base-Base interactions energy: -1287.022 where: short stacking energy: -521.717 Base-Backbone interact. energy: 0.237 local terms energy: -530.177587 where: bonds (distance) C4'-P energy: -89.690 bonds (distance) P-C4' energy: -93.917 flat angles C4'-P-C4' energy: -106.796 flat angles P-C4'-P energy: -78.335 tors. eta vs tors. theta energy: -161.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -1707.137238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.137238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.137238 (E_RNA) where: Base-Base interactions energy: -1207.345 where: short stacking energy: -476.462 Base-Backbone interact. energy: 4.664 local terms energy: -504.456376 where: bonds (distance) C4'-P energy: -88.599 bonds (distance) P-C4' energy: -90.073 flat angles C4'-P-C4' energy: -101.358 flat angles P-C4'-P energy: -77.305 tors. eta vs tors. theta energy: -147.121 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: 5, replica: 3 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -1708.922590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.922590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.922590 (E_RNA) where: Base-Base interactions energy: -1219.095 where: short stacking energy: -505.457 Base-Backbone interact. energy: -2.057 local terms energy: -487.771171 where: bonds (distance) C4'-P energy: -81.100 bonds (distance) P-C4' energy: -82.093 flat angles C4'-P-C4' energy: -101.725 flat angles P-C4'-P energy: -63.262 tors. eta vs tors. theta energy: -159.590 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: 8 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -1590.245478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.245478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.245478 (E_RNA) where: Base-Base interactions energy: -1113.025 where: short stacking energy: -473.831 Base-Backbone interact. energy: -1.233 local terms energy: -475.988233 where: bonds (distance) C4'-P energy: -74.159 bonds (distance) P-C4' energy: -77.341 flat angles C4'-P-C4' energy: -108.824 flat angles P-C4'-P energy: -70.834 tors. eta vs tors. theta energy: -144.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -1390.776461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.776461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.776461 (E_RNA) where: Base-Base interactions energy: -952.012 where: short stacking energy: -391.479 Base-Backbone interact. energy: -2.076 local terms energy: -436.687921 where: bonds (distance) C4'-P energy: -83.966 bonds (distance) P-C4' energy: -74.981 flat angles C4'-P-C4' energy: -91.468 flat angles P-C4'-P energy: -73.385 tors. eta vs tors. theta energy: -112.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1307.008295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.008295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.008295 (E_RNA) where: Base-Base interactions energy: -895.813 where: short stacking energy: -365.034 Base-Backbone interact. energy: -1.676 local terms energy: -409.518832 where: bonds (distance) C4'-P energy: -76.495 bonds (distance) P-C4' energy: -74.568 flat angles C4'-P-C4' energy: -91.490 flat angles P-C4'-P energy: -62.807 tors. eta vs tors. theta energy: -104.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -1201.613314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.613314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.613314 (E_RNA) where: Base-Base interactions energy: -809.933 where: short stacking energy: -344.114 Base-Backbone interact. energy: -0.459 local terms energy: -391.221948 where: bonds (distance) C4'-P energy: -84.022 bonds (distance) P-C4' energy: -71.385 flat angles C4'-P-C4' energy: -90.130 flat angles P-C4'-P energy: -56.861 tors. eta vs tors. theta energy: -88.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -817.230790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.230790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.230790 (E_RNA) where: Base-Base interactions energy: -475.522 where: short stacking energy: -235.075 Base-Backbone interact. energy: 1.959 local terms energy: -343.667961 where: bonds (distance) C4'-P energy: -92.983 bonds (distance) P-C4' energy: -86.236 flat angles C4'-P-C4' energy: -81.634 flat angles P-C4'-P energy: -38.424 tors. eta vs tors. theta energy: -44.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1895.934868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.934868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.934868 (E_RNA) where: Base-Base interactions energy: -1341.746 where: short stacking energy: -537.363 Base-Backbone interact. energy: 2.778 local terms energy: -556.966738 where: bonds (distance) C4'-P energy: -92.495 bonds (distance) P-C4' energy: -106.800 flat angles C4'-P-C4' energy: -116.134 flat angles P-C4'-P energy: -79.607 tors. eta vs tors. theta energy: -161.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1840.491346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.491346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.491346 (E_RNA) where: Base-Base interactions energy: -1318.459 where: short stacking energy: -520.485 Base-Backbone interact. energy: -4.019 local terms energy: -518.013072 where: bonds (distance) C4'-P energy: -92.796 bonds (distance) P-C4' energy: -99.637 flat angles C4'-P-C4' energy: -108.385 flat angles P-C4'-P energy: -65.440 tors. eta vs tors. theta energy: -151.754 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: 3, replica: 2 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1812.461217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.461217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.461217 (E_RNA) where: Base-Base interactions energy: -1284.167 where: short stacking energy: -508.947 Base-Backbone interact. energy: -1.520 local terms energy: -526.774345 where: bonds (distance) C4'-P energy: -99.949 bonds (distance) P-C4' energy: -85.708 flat angles C4'-P-C4' energy: -105.843 flat angles P-C4'-P energy: -77.239 tors. eta vs tors. theta energy: -158.034 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: 4, replica: 3 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -1732.137442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.137442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.137442 (E_RNA) where: Base-Base interactions energy: -1219.624 where: short stacking energy: -486.055 Base-Backbone interact. energy: 0.942 local terms energy: -513.455536 where: bonds (distance) C4'-P energy: -83.828 bonds (distance) P-C4' energy: -90.819 flat angles C4'-P-C4' energy: -114.117 flat angles P-C4'-P energy: -74.105 tors. eta vs tors. theta energy: -150.586 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: 1 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -1679.483417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.483417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.483417 (E_RNA) where: Base-Base interactions energy: -1183.369 where: short stacking energy: -486.619 Base-Backbone interact. energy: -1.963 local terms energy: -494.152317 where: bonds (distance) C4'-P energy: -94.617 bonds (distance) P-C4' energy: -84.107 flat angles C4'-P-C4' energy: -97.956 flat angles P-C4'-P energy: -64.969 tors. eta vs tors. theta energy: -152.504 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: 8 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -1585.411327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.411327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.411327 (E_RNA) where: Base-Base interactions energy: -1095.032 where: short stacking energy: -442.706 Base-Backbone interact. energy: -0.852 local terms energy: -489.526944 where: bonds (distance) C4'-P energy: -94.871 bonds (distance) P-C4' energy: -79.654 flat angles C4'-P-C4' energy: -104.418 flat angles P-C4'-P energy: -71.304 tors. eta vs tors. theta energy: -139.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -1389.425452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.425452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.425452 (E_RNA) where: Base-Base interactions energy: -950.399 where: short stacking energy: -403.771 Base-Backbone interact. energy: -1.502 local terms energy: -437.524629 where: bonds (distance) C4'-P energy: -77.915 bonds (distance) P-C4' energy: -93.373 flat angles C4'-P-C4' energy: -99.889 flat angles P-C4'-P energy: -59.619 tors. eta vs tors. theta energy: -106.729 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: 6 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -1298.150697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.150697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.150697 (E_RNA) where: Base-Base interactions energy: -903.665 where: short stacking energy: -376.710 Base-Backbone interact. energy: -1.148 local terms energy: -393.337889 where: bonds (distance) C4'-P energy: -78.787 bonds (distance) P-C4' energy: -66.372 flat angles C4'-P-C4' energy: -95.381 flat angles P-C4'-P energy: -60.424 tors. eta vs tors. theta energy: -92.374 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: 9, replica: 10 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -1173.304586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.304586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.304586 (E_RNA) where: Base-Base interactions energy: -795.257 where: short stacking energy: -326.035 Base-Backbone interact. energy: -1.006 local terms energy: -377.042103 where: bonds (distance) C4'-P energy: -63.442 bonds (distance) P-C4' energy: -78.237 flat angles C4'-P-C4' energy: -83.586 flat angles P-C4'-P energy: -59.934 tors. eta vs tors. theta energy: -91.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -766.866970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.866970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.866970 (E_RNA) where: Base-Base interactions energy: -455.671 where: short stacking energy: -178.067 Base-Backbone interact. energy: -2.362 local terms energy: -308.833747 where: bonds (distance) C4'-P energy: -79.785 bonds (distance) P-C4' energy: -89.056 flat angles C4'-P-C4' energy: -70.907 flat angles P-C4'-P energy: -43.083 tors. eta vs tors. theta energy: -26.003 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: 4 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1879.481004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.481004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.481004 (E_RNA) where: Base-Base interactions energy: -1322.856 where: short stacking energy: -517.079 Base-Backbone interact. energy: -1.353 local terms energy: -555.272047 where: bonds (distance) C4'-P energy: -97.702 bonds (distance) P-C4' energy: -105.012 flat angles C4'-P-C4' energy: -113.791 flat angles P-C4'-P energy: -80.984 tors. eta vs tors. theta energy: -157.784 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: 9 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1850.527686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.527686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.527686 (E_RNA) where: Base-Base interactions energy: -1307.222 where: short stacking energy: -520.216 Base-Backbone interact. energy: -0.430 local terms energy: -542.875852 where: bonds (distance) C4'-P energy: -92.207 bonds (distance) P-C4' energy: -103.079 flat angles C4'-P-C4' energy: -109.542 flat angles P-C4'-P energy: -78.797 tors. eta vs tors. theta energy: -159.251 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: 2 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1791.271155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.271155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.271155 (E_RNA) where: Base-Base interactions energy: -1259.656 where: short stacking energy: -503.928 Base-Backbone interact. energy: -0.134 local terms energy: -531.480444 where: bonds (distance) C4'-P energy: -94.026 bonds (distance) P-C4' energy: -90.180 flat angles C4'-P-C4' energy: -116.960 flat angles P-C4'-P energy: -78.554 tors. eta vs tors. theta energy: -151.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -1719.237775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.237775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.237775 (E_RNA) where: Base-Base interactions energy: -1206.836 where: short stacking energy: -485.965 Base-Backbone interact. energy: -2.029 local terms energy: -510.372470 where: bonds (distance) C4'-P energy: -90.830 bonds (distance) P-C4' energy: -89.673 flat angles C4'-P-C4' energy: -98.488 flat angles P-C4'-P energy: -76.643 tors. eta vs tors. theta energy: -154.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -1710.598149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.598149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.598149 (E_RNA) where: Base-Base interactions energy: -1221.899 where: short stacking energy: -481.797 Base-Backbone interact. energy: 0.658 local terms energy: -489.357237 where: bonds (distance) C4'-P energy: -90.634 bonds (distance) P-C4' energy: -86.097 flat angles C4'-P-C4' energy: -105.368 flat angles P-C4'-P energy: -64.931 tors. eta vs tors. theta energy: -142.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -1595.815110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.815110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.815110 (E_RNA) where: Base-Base interactions energy: -1128.892 where: short stacking energy: -455.789 Base-Backbone interact. energy: 0.773 local terms energy: -467.696593 where: bonds (distance) C4'-P energy: -88.287 bonds (distance) P-C4' energy: -78.253 flat angles C4'-P-C4' energy: -95.678 flat angles P-C4'-P energy: -64.436 tors. eta vs tors. theta energy: -141.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1382.908592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.908592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.908592 (E_RNA) where: Base-Base interactions energy: -967.696 where: short stacking energy: -393.112 Base-Backbone interact. energy: 2.208 local terms energy: -417.419928 where: bonds (distance) C4'-P energy: -82.097 bonds (distance) P-C4' energy: -80.927 flat angles C4'-P-C4' energy: -91.177 flat angles P-C4'-P energy: -59.970 tors. eta vs tors. theta energy: -103.249 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: 6 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -1312.639765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.639765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.639765 (E_RNA) where: Base-Base interactions energy: -912.518 where: short stacking energy: -373.120 Base-Backbone interact. energy: -1.561 local terms energy: -398.560688 where: bonds (distance) C4'-P energy: -75.569 bonds (distance) P-C4' energy: -79.421 flat angles C4'-P-C4' energy: -89.434 flat angles P-C4'-P energy: -50.243 tors. eta vs tors. theta energy: -103.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -1174.369483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.369483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.369483 (E_RNA) where: Base-Base interactions energy: -783.570 where: short stacking energy: -322.317 Base-Backbone interact. energy: -0.703 local terms energy: -390.096361 where: bonds (distance) C4'-P energy: -76.267 bonds (distance) P-C4' energy: -75.248 flat angles C4'-P-C4' energy: -91.927 flat angles P-C4'-P energy: -61.802 tors. eta vs tors. theta energy: -84.853 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: 7 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -797.236833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.236833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.236833 (E_RNA) where: Base-Base interactions energy: -485.718 where: short stacking energy: -217.648 Base-Backbone interact. energy: -1.887 local terms energy: -309.631304 where: bonds (distance) C4'-P energy: -75.178 bonds (distance) P-C4' energy: -73.181 flat angles C4'-P-C4' energy: -79.556 flat angles P-C4'-P energy: -39.270 tors. eta vs tors. theta energy: -42.447 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: 4 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1900.302590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.302590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.302590 (E_RNA) where: Base-Base interactions energy: -1336.730 where: short stacking energy: -519.669 Base-Backbone interact. energy: -0.802 local terms energy: -562.771416 where: bonds (distance) C4'-P energy: -97.822 bonds (distance) P-C4' energy: -100.573 flat angles C4'-P-C4' energy: -115.693 flat angles P-C4'-P energy: -83.532 tors. eta vs tors. theta energy: -165.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1829.506457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.506457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.506457 (E_RNA) where: Base-Base interactions energy: -1293.913 where: short stacking energy: -524.166 Base-Backbone interact. energy: -1.988 local terms energy: -533.605800 where: bonds (distance) C4'-P energy: -82.742 bonds (distance) P-C4' energy: -99.944 flat angles C4'-P-C4' energy: -105.709 flat angles P-C4'-P energy: -82.267 tors. eta vs tors. theta energy: -162.944 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: 9 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1801.798506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.798506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.798506 (E_RNA) where: Base-Base interactions energy: -1278.235 where: short stacking energy: -507.161 Base-Backbone interact. energy: -1.957 local terms energy: -521.606315 where: bonds (distance) C4'-P energy: -93.050 bonds (distance) P-C4' energy: -100.552 flat angles C4'-P-C4' energy: -105.474 flat angles P-C4'-P energy: -64.423 tors. eta vs tors. theta energy: -158.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1740.649694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.649694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.649694 (E_RNA) where: Base-Base interactions energy: -1226.198 where: short stacking energy: -501.249 Base-Backbone interact. energy: -2.015 local terms energy: -512.437419 where: bonds (distance) C4'-P energy: -85.680 bonds (distance) P-C4' energy: -90.930 flat angles C4'-P-C4' energy: -105.130 flat angles P-C4'-P energy: -70.030 tors. eta vs tors. theta energy: -160.667 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: 3 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -1639.894968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.894968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.894968 (E_RNA) where: Base-Base interactions energy: -1143.714 where: short stacking energy: -462.093 Base-Backbone interact. energy: 4.450 local terms energy: -500.630982 where: bonds (distance) C4'-P energy: -89.875 bonds (distance) P-C4' energy: -92.893 flat angles C4'-P-C4' energy: -103.731 flat angles P-C4'-P energy: -68.306 tors. eta vs tors. theta energy: -145.826 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: 8 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -1614.616880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.616880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.616880 (E_RNA) where: Base-Base interactions energy: -1119.814 where: short stacking energy: -436.753 Base-Backbone interact. energy: -1.616 local terms energy: -493.186697 where: bonds (distance) C4'-P energy: -91.360 bonds (distance) P-C4' energy: -99.044 flat angles C4'-P-C4' energy: -99.105 flat angles P-C4'-P energy: -72.764 tors. eta vs tors. theta energy: -130.913 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: 7, replica: 5 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1402.411558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.411558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.411558 (E_RNA) where: Base-Base interactions energy: -979.458 where: short stacking energy: -379.969 Base-Backbone interact. energy: -0.812 local terms energy: -422.141324 where: bonds (distance) C4'-P energy: -78.058 bonds (distance) P-C4' energy: -75.370 flat angles C4'-P-C4' energy: -92.651 flat angles P-C4'-P energy: -65.527 tors. eta vs tors. theta energy: -110.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -1227.386783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.386783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.386783 (E_RNA) where: Base-Base interactions energy: -825.918 where: short stacking energy: -344.475 Base-Backbone interact. energy: -1.247 local terms energy: -400.222056 where: bonds (distance) C4'-P energy: -75.152 bonds (distance) P-C4' energy: -84.292 flat angles C4'-P-C4' energy: -96.238 flat angles P-C4'-P energy: -50.833 tors. eta vs tors. theta energy: -93.707 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: 6 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -1270.096774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.096774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.096774 (E_RNA) where: Base-Base interactions energy: -865.506 where: short stacking energy: -354.219 Base-Backbone interact. energy: -1.051 local terms energy: -403.539826 where: bonds (distance) C4'-P energy: -72.683 bonds (distance) P-C4' energy: -77.253 flat angles C4'-P-C4' energy: -98.284 flat angles P-C4'-P energy: -50.356 tors. eta vs tors. theta energy: -104.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -804.139861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.139861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.139861 (E_RNA) where: Base-Base interactions energy: -479.503 where: short stacking energy: -208.842 Base-Backbone interact. energy: -0.455 local terms energy: -324.182597 where: bonds (distance) C4'-P energy: -80.645 bonds (distance) P-C4' energy: -88.300 flat angles C4'-P-C4' energy: -65.552 flat angles P-C4'-P energy: -52.438 tors. eta vs tors. theta energy: -37.248 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: 4 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1905.693225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.693225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.693225 (E_RNA) where: Base-Base interactions energy: -1359.642 where: short stacking energy: -528.766 Base-Backbone interact. energy: -1.502 local terms energy: -544.549228 where: bonds (distance) C4'-P energy: -86.411 bonds (distance) P-C4' energy: -99.060 flat angles C4'-P-C4' energy: -111.880 flat angles P-C4'-P energy: -82.985 tors. eta vs tors. theta energy: -164.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1875.133853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.133853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.133853 (E_RNA) where: Base-Base interactions energy: -1328.947 where: short stacking energy: -535.886 Base-Backbone interact. energy: -1.613 local terms energy: -544.573948 where: bonds (distance) C4'-P energy: -101.462 bonds (distance) P-C4' energy: -89.248 flat angles C4'-P-C4' energy: -111.904 flat angles P-C4'-P energy: -76.971 tors. eta vs tors. theta energy: -164.989 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: 9 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -1782.897047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.897047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.897047 (E_RNA) where: Base-Base interactions energy: -1257.283 where: short stacking energy: -496.419 Base-Backbone interact. energy: -1.805 local terms energy: -523.808540 where: bonds (distance) C4'-P energy: -88.159 bonds (distance) P-C4' energy: -98.087 flat angles C4'-P-C4' energy: -108.357 flat angles P-C4'-P energy: -83.581 tors. eta vs tors. theta energy: -145.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -1733.961166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.961166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.961166 (E_RNA) where: Base-Base interactions energy: -1203.200 where: short stacking energy: -490.008 Base-Backbone interact. energy: -1.834 local terms energy: -528.927813 where: bonds (distance) C4'-P energy: -95.629 bonds (distance) P-C4' energy: -97.505 flat angles C4'-P-C4' energy: -99.229 flat angles P-C4'-P energy: -73.678 tors. eta vs tors. theta energy: -162.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -1623.195407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.195407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.195407 (E_RNA) where: Base-Base interactions energy: -1147.032 where: short stacking energy: -461.887 Base-Backbone interact. energy: -0.372 local terms energy: -475.790620 where: bonds (distance) C4'-P energy: -80.423 bonds (distance) P-C4' energy: -75.597 flat angles C4'-P-C4' energy: -102.643 flat angles P-C4'-P energy: -69.706 tors. eta vs tors. theta energy: -147.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -1605.963674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.963674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.963674 (E_RNA) where: Base-Base interactions energy: -1128.571 where: short stacking energy: -475.070 Base-Backbone interact. energy: -2.241 local terms energy: -475.151598 where: bonds (distance) C4'-P energy: -75.962 bonds (distance) P-C4' energy: -84.654 flat angles C4'-P-C4' energy: -105.281 flat angles P-C4'-P energy: -64.376 tors. eta vs tors. theta energy: -144.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -1388.494146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.494146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.494146 (E_RNA) where: Base-Base interactions energy: -960.525 where: short stacking energy: -393.266 Base-Backbone interact. energy: 6.538 local terms energy: -434.506931 where: bonds (distance) C4'-P energy: -82.412 bonds (distance) P-C4' energy: -83.738 flat angles C4'-P-C4' energy: -95.088 flat angles P-C4'-P energy: -67.447 tors. eta vs tors. theta energy: -105.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -1236.225473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.225473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.225473 (E_RNA) where: Base-Base interactions energy: -833.344 where: short stacking energy: -345.857 Base-Backbone interact. energy: -0.663 local terms energy: -402.218661 where: bonds (distance) C4'-P energy: -88.429 bonds (distance) P-C4' energy: -86.658 flat angles C4'-P-C4' energy: -87.224 flat angles P-C4'-P energy: -53.244 tors. eta vs tors. theta energy: -86.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -1271.925780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.925780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.925780 (E_RNA) where: Base-Base interactions energy: -889.290 where: short stacking energy: -345.209 Base-Backbone interact. energy: -1.203 local terms energy: -381.433390 where: bonds (distance) C4'-P energy: -66.544 bonds (distance) P-C4' energy: -78.160 flat angles C4'-P-C4' energy: -85.778 flat angles P-C4'-P energy: -55.419 tors. eta vs tors. theta energy: -95.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -794.524763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.524763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.524763 (E_RNA) where: Base-Base interactions energy: -493.153 where: short stacking energy: -208.598 Base-Backbone interact. energy: 0.189 local terms energy: -301.560670 where: bonds (distance) C4'-P energy: -68.714 bonds (distance) P-C4' energy: -80.845 flat angles C4'-P-C4' energy: -73.133 flat angles P-C4'-P energy: -56.284 tors. eta vs tors. theta energy: -22.585 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: 4 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1900.211154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.211154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.211154 (E_RNA) where: Base-Base interactions energy: -1341.752 where: short stacking energy: -530.615 Base-Backbone interact. energy: -3.828 local terms energy: -554.630779 where: bonds (distance) C4'-P energy: -98.652 bonds (distance) P-C4' energy: -96.574 flat angles C4'-P-C4' energy: -114.787 flat angles P-C4'-P energy: -79.803 tors. eta vs tors. theta energy: -164.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -1846.740408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.740408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.740408 (E_RNA) where: Base-Base interactions energy: -1307.943 where: short stacking energy: -533.285 Base-Backbone interact. energy: -0.780 local terms energy: -538.017873 where: bonds (distance) C4'-P energy: -86.639 bonds (distance) P-C4' energy: -96.013 flat angles C4'-P-C4' energy: -108.223 flat angles P-C4'-P energy: -87.622 tors. eta vs tors. theta energy: -159.520 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: 9 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -1795.859232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.859232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.859232 (E_RNA) where: Base-Base interactions energy: -1259.085 where: short stacking energy: -488.831 Base-Backbone interact. energy: -2.563 local terms energy: -534.210940 where: bonds (distance) C4'-P energy: -91.398 bonds (distance) P-C4' energy: -104.213 flat angles C4'-P-C4' energy: -114.150 flat angles P-C4'-P energy: -72.841 tors. eta vs tors. theta energy: -151.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -1788.912829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.912829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.912829 (E_RNA) where: Base-Base interactions energy: -1269.571 where: short stacking energy: -516.315 Base-Backbone interact. energy: 0.212 local terms energy: -519.553812 where: bonds (distance) C4'-P energy: -83.586 bonds (distance) P-C4' energy: -88.776 flat angles C4'-P-C4' energy: -110.758 flat angles P-C4'-P energy: -76.214 tors. eta vs tors. theta energy: -160.220 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: 8 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -1621.469955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.469955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.469955 (E_RNA) where: Base-Base interactions energy: -1131.545 where: short stacking energy: -455.453 Base-Backbone interact. energy: -0.272 local terms energy: -489.653792 where: bonds (distance) C4'-P energy: -72.586 bonds (distance) P-C4' energy: -96.837 flat angles C4'-P-C4' energy: -107.097 flat angles P-C4'-P energy: -69.438 tors. eta vs tors. theta energy: -143.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -1635.497933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.497933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.497933 (E_RNA) where: Base-Base interactions energy: -1139.072 where: short stacking energy: -459.035 Base-Backbone interact. energy: 4.687 local terms energy: -501.113028 where: bonds (distance) C4'-P energy: -89.295 bonds (distance) P-C4' energy: -87.386 flat angles C4'-P-C4' energy: -101.590 flat angles P-C4'-P energy: -70.393 tors. eta vs tors. theta energy: -152.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1386.182391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.182391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.182391 (E_RNA) where: Base-Base interactions energy: -968.007 where: short stacking energy: -393.736 Base-Backbone interact. energy: -1.931 local terms energy: -416.244892 where: bonds (distance) C4'-P energy: -77.759 bonds (distance) P-C4' energy: -81.521 flat angles C4'-P-C4' energy: -86.621 flat angles P-C4'-P energy: -50.372 tors. eta vs tors. theta energy: -119.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -1281.898862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.898862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.898862 (E_RNA) where: Base-Base interactions energy: -855.582 where: short stacking energy: -366.043 Base-Backbone interact. energy: -1.227 local terms energy: -425.089038 where: bonds (distance) C4'-P energy: -82.341 bonds (distance) P-C4' energy: -91.380 flat angles C4'-P-C4' energy: -82.860 flat angles P-C4'-P energy: -68.046 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: 9, replica: 10 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -1180.140365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.140365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.140365 (E_RNA) where: Base-Base interactions energy: -786.192 where: short stacking energy: -325.174 Base-Backbone interact. energy: 1.699 local terms energy: -395.647817 where: bonds (distance) C4'-P energy: -74.859 bonds (distance) P-C4' energy: -80.867 flat angles C4'-P-C4' energy: -96.798 flat angles P-C4'-P energy: -53.161 tors. eta vs tors. theta energy: -89.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -818.342209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.342209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.342209 (E_RNA) where: Base-Base interactions energy: -521.403 where: short stacking energy: -234.874 Base-Backbone interact. energy: 5.497 local terms energy: -302.436547 where: bonds (distance) C4'-P energy: -68.277 bonds (distance) P-C4' energy: -78.546 flat angles C4'-P-C4' energy: -69.567 flat angles P-C4'-P energy: -44.055 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: 1, replica: 4 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1879.094571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.094571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.094571 (E_RNA) where: Base-Base interactions energy: -1318.679 where: short stacking energy: -526.163 Base-Backbone interact. energy: -0.748 local terms energy: -559.667259 where: bonds (distance) C4'-P energy: -105.233 bonds (distance) P-C4' energy: -94.232 flat angles C4'-P-C4' energy: -112.128 flat angles P-C4'-P energy: -80.520 tors. eta vs tors. theta energy: -167.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1863.140874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.140874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.140874 (E_RNA) where: Base-Base interactions energy: -1320.297 where: short stacking energy: -540.943 Base-Backbone interact. energy: -1.463 local terms energy: -541.381735 where: bonds (distance) C4'-P energy: -96.220 bonds (distance) P-C4' energy: -97.495 flat angles C4'-P-C4' energy: -109.746 flat angles P-C4'-P energy: -71.206 tors. eta vs tors. theta energy: -166.715 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: 472 Temperature: 1.000000 Total energy: -1793.404120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.404120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.404120 (E_RNA) where: Base-Base interactions energy: -1274.563 where: short stacking energy: -503.843 Base-Backbone interact. energy: -0.987 local terms energy: -517.854047 where: bonds (distance) C4'-P energy: -80.506 bonds (distance) P-C4' energy: -90.893 flat angles C4'-P-C4' energy: -111.598 flat angles P-C4'-P energy: -77.204 tors. eta vs tors. theta energy: -157.652 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: 9 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -1772.694349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.694349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.694349 (E_RNA) where: Base-Base interactions energy: -1260.360 where: short stacking energy: -498.255 Base-Backbone interact. energy: 4.434 local terms energy: -516.768610 where: bonds (distance) C4'-P energy: -83.825 bonds (distance) P-C4' energy: -102.126 flat angles C4'-P-C4' energy: -103.793 flat angles P-C4'-P energy: -74.899 tors. eta vs tors. theta energy: -152.125 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: 3 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -1665.946704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.946704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.946704 (E_RNA) where: Base-Base interactions energy: -1176.549 where: short stacking energy: -490.932 Base-Backbone interact. energy: 1.228 local terms energy: -490.625749 where: bonds (distance) C4'-P energy: -77.812 bonds (distance) P-C4' energy: -82.416 flat angles C4'-P-C4' energy: -102.893 flat angles P-C4'-P energy: -78.443 tors. eta vs tors. theta energy: -149.062 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: 8 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -1595.793492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.793492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.793492 (E_RNA) where: Base-Base interactions energy: -1110.465 where: short stacking energy: -459.002 Base-Backbone interact. energy: -0.653 local terms energy: -484.675581 where: bonds (distance) C4'-P energy: -94.384 bonds (distance) P-C4' energy: -87.383 flat angles C4'-P-C4' energy: -96.392 flat angles P-C4'-P energy: -67.327 tors. eta vs tors. theta energy: -139.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -1417.796772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.796772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.796772 (E_RNA) where: Base-Base interactions energy: -990.965 where: short stacking energy: -406.836 Base-Backbone interact. energy: -1.934 local terms energy: -424.897957 where: bonds (distance) C4'-P energy: -72.012 bonds (distance) P-C4' energy: -74.123 flat angles C4'-P-C4' energy: -97.608 flat angles P-C4'-P energy: -65.309 tors. eta vs tors. theta energy: -115.846 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: 8, replica: 6 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -1240.821729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.821729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.821729 (E_RNA) where: Base-Base interactions energy: -872.084 where: short stacking energy: -382.424 Base-Backbone interact. energy: 1.291 local terms energy: -370.028706 where: bonds (distance) C4'-P energy: -76.392 bonds (distance) P-C4' energy: -69.870 flat angles C4'-P-C4' energy: -66.216 flat angles P-C4'-P energy: -57.980 tors. eta vs tors. theta energy: -99.570 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: 10 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -1158.915317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.915317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.915317 (E_RNA) where: Base-Base interactions energy: -769.372 where: short stacking energy: -324.742 Base-Backbone interact. energy: -0.200 local terms energy: -389.343453 where: bonds (distance) C4'-P energy: -80.451 bonds (distance) P-C4' energy: -93.579 flat angles C4'-P-C4' energy: -86.797 flat angles P-C4'-P energy: -46.063 tors. eta vs tors. theta energy: -82.453 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: 7 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -831.080485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.080485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.080485 (E_RNA) where: Base-Base interactions energy: -503.883 where: short stacking energy: -238.129 Base-Backbone interact. energy: -0.744 local terms energy: -326.452976 where: bonds (distance) C4'-P energy: -86.468 bonds (distance) P-C4' energy: -93.192 flat angles C4'-P-C4' energy: -70.084 flat angles P-C4'-P energy: -41.227 tors. eta vs tors. theta energy: -35.483 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: 4 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -1896.530583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.530583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.530583 (E_RNA) where: Base-Base interactions energy: -1338.489 where: short stacking energy: -531.574 Base-Backbone interact. energy: -2.566 local terms energy: -555.476260 where: bonds (distance) C4'-P energy: -92.901 bonds (distance) P-C4' energy: -93.538 flat angles C4'-P-C4' energy: -118.165 flat angles P-C4'-P energy: -81.922 tors. eta vs tors. theta energy: -168.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -1863.296865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.296865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.296865 (E_RNA) where: Base-Base interactions energy: -1317.175 where: short stacking energy: -551.731 Base-Backbone interact. energy: -0.909 local terms energy: -545.213064 where: bonds (distance) C4'-P energy: -78.629 bonds (distance) P-C4' energy: -104.592 flat angles C4'-P-C4' energy: -113.418 flat angles P-C4'-P energy: -79.170 tors. eta vs tors. theta energy: -169.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -1817.839717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.839717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.839717 (E_RNA) where: Base-Base interactions energy: -1284.021 where: short stacking energy: -514.039 Base-Backbone interact. energy: -0.215 local terms energy: -533.602866 where: bonds (distance) C4'-P energy: -92.597 bonds (distance) P-C4' energy: -91.697 flat angles C4'-P-C4' energy: -112.150 flat angles P-C4'-P energy: -74.072 tors. eta vs tors. theta energy: -163.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -1734.145718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.145718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.145718 (E_RNA) where: Base-Base interactions energy: -1251.266 where: short stacking energy: -477.490 Base-Backbone interact. energy: 1.454 local terms energy: -484.334087 where: bonds (distance) C4'-P energy: -89.805 bonds (distance) P-C4' energy: -74.099 flat angles C4'-P-C4' energy: -102.409 flat angles P-C4'-P energy: -74.836 tors. eta vs tors. theta energy: -143.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -1667.408748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.408748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.408748 (E_RNA) where: Base-Base interactions energy: -1150.941 where: short stacking energy: -475.626 Base-Backbone interact. energy: -0.407 local terms energy: -516.061577 where: bonds (distance) C4'-P energy: -92.314 bonds (distance) P-C4' energy: -85.937 flat angles C4'-P-C4' energy: -111.809 flat angles P-C4'-P energy: -75.205 tors. eta vs tors. theta energy: -150.798 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: 8 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -1576.266195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.266195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.266195 (E_RNA) where: Base-Base interactions energy: -1113.608 where: short stacking energy: -466.875 Base-Backbone interact. energy: 0.951 local terms energy: -463.609352 where: bonds (distance) C4'-P energy: -74.236 bonds (distance) P-C4' energy: -83.218 flat angles C4'-P-C4' energy: -109.905 flat angles P-C4'-P energy: -61.473 tors. eta vs tors. theta energy: -134.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1381.396194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.396194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.396194 (E_RNA) where: Base-Base interactions energy: -954.037 where: short stacking energy: -376.818 Base-Backbone interact. energy: 1.929 local terms energy: -429.287648 where: bonds (distance) C4'-P energy: -82.800 bonds (distance) P-C4' energy: -76.726 flat angles C4'-P-C4' energy: -105.567 flat angles P-C4'-P energy: -61.558 tors. eta vs tors. theta energy: -102.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -1307.465554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.465554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.465554 (E_RNA) where: Base-Base interactions energy: -911.216 where: short stacking energy: -379.185 Base-Backbone interact. energy: -1.630 local terms energy: -394.619778 where: bonds (distance) C4'-P energy: -64.419 bonds (distance) P-C4' energy: -77.736 flat angles C4'-P-C4' energy: -92.482 flat angles P-C4'-P energy: -62.203 tors. eta vs tors. theta energy: -97.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -1174.894431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.894431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.894431 (E_RNA) where: Base-Base interactions energy: -794.872 where: short stacking energy: -323.284 Base-Backbone interact. energy: 1.270 local terms energy: -381.292254 where: bonds (distance) C4'-P energy: -85.989 bonds (distance) P-C4' energy: -80.800 flat angles C4'-P-C4' energy: -82.460 flat angles P-C4'-P energy: -54.164 tors. eta vs tors. theta energy: -77.879 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: 7 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -875.098433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.098433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.098433 (E_RNA) where: Base-Base interactions energy: -548.618 where: short stacking energy: -238.135 Base-Backbone interact. energy: -2.747 local terms energy: -323.733901 where: bonds (distance) C4'-P energy: -66.188 bonds (distance) P-C4' energy: -85.858 flat angles C4'-P-C4' energy: -81.466 flat angles P-C4'-P energy: -40.636 tors. eta vs tors. theta energy: -49.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -1885.204224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.204224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.204224 (E_RNA) where: Base-Base interactions energy: -1336.433 where: short stacking energy: -530.361 Base-Backbone interact. energy: -2.064 local terms energy: -546.707088 where: bonds (distance) C4'-P energy: -92.226 bonds (distance) P-C4' energy: -102.664 flat angles C4'-P-C4' energy: -109.189 flat angles P-C4'-P energy: -82.351 tors. eta vs tors. theta energy: -160.276 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: 474 Temperature: 0.950000 Total energy: -1862.283082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.283082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.283082 (E_RNA) where: Base-Base interactions energy: -1328.273 where: short stacking energy: -539.745 Base-Backbone interact. energy: 3.144 local terms energy: -537.153483 where: bonds (distance) C4'-P energy: -94.325 bonds (distance) P-C4' energy: -94.233 flat angles C4'-P-C4' energy: -104.126 flat angles P-C4'-P energy: -75.590 tors. eta vs tors. theta energy: -168.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -1812.079770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.079770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.079770 (E_RNA) where: Base-Base interactions energy: -1291.989 where: short stacking energy: -513.251 Base-Backbone interact. energy: -1.477 local terms energy: -518.614191 where: bonds (distance) C4'-P energy: -93.506 bonds (distance) P-C4' energy: -84.560 flat angles C4'-P-C4' energy: -104.958 flat angles P-C4'-P energy: -71.065 tors. eta vs tors. theta energy: -164.525 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: 9 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -1748.712029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.712029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.712029 (E_RNA) where: Base-Base interactions energy: -1242.681 where: short stacking energy: -489.299 Base-Backbone interact. energy: 1.630 local terms energy: -507.661238 where: bonds (distance) C4'-P energy: -86.276 bonds (distance) P-C4' energy: -90.853 flat angles C4'-P-C4' energy: -109.841 flat angles P-C4'-P energy: -61.448 tors. eta vs tors. theta energy: -159.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -1642.567202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.567202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.567202 (E_RNA) where: Base-Base interactions energy: -1140.409 where: short stacking energy: -462.035 Base-Backbone interact. energy: -2.179 local terms energy: -499.979383 where: bonds (distance) C4'-P energy: -81.513 bonds (distance) P-C4' energy: -85.275 flat angles C4'-P-C4' energy: -110.676 flat angles P-C4'-P energy: -66.574 tors. eta vs tors. theta energy: -155.942 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: 474 Temperature: 1.150000 Total energy: -1586.464306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.464306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.464306 (E_RNA) where: Base-Base interactions energy: -1125.842 where: short stacking energy: -449.318 Base-Backbone interact. energy: 0.147 local terms energy: -460.768621 where: bonds (distance) C4'-P energy: -77.353 bonds (distance) P-C4' energy: -85.466 flat angles C4'-P-C4' energy: -93.853 flat angles P-C4'-P energy: -59.074 tors. eta vs tors. theta energy: -145.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -1369.308613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.308613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.308613 (E_RNA) where: Base-Base interactions energy: -931.119 where: short stacking energy: -375.417 Base-Backbone interact. energy: 1.799 local terms energy: -439.988801 where: bonds (distance) C4'-P energy: -66.384 bonds (distance) P-C4' energy: -91.439 flat angles C4'-P-C4' energy: -105.391 flat angles P-C4'-P energy: -74.126 tors. eta vs tors. theta energy: -102.649 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: 6 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -1258.359159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.359159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.359159 (E_RNA) where: Base-Base interactions energy: -850.651 where: short stacking energy: -354.088 Base-Backbone interact. energy: 0.357 local terms energy: -408.065462 where: bonds (distance) C4'-P energy: -83.302 bonds (distance) P-C4' energy: -82.793 flat angles C4'-P-C4' energy: -98.843 flat angles P-C4'-P energy: -53.980 tors. eta vs tors. theta energy: -89.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -1191.038060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.038060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.038060 (E_RNA) where: Base-Base interactions energy: -808.205 where: short stacking energy: -320.305 Base-Backbone interact. energy: 4.814 local terms energy: -387.646910 where: bonds (distance) C4'-P energy: -75.924 bonds (distance) P-C4' energy: -66.132 flat angles C4'-P-C4' energy: -81.345 flat angles P-C4'-P energy: -70.482 tors. eta vs tors. theta energy: -93.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -845.524219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.524219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.524219 (E_RNA) where: Base-Base interactions energy: -557.195 where: short stacking energy: -243.395 Base-Backbone interact. energy: 2.866 local terms energy: -291.194840 where: bonds (distance) C4'-P energy: -63.966 bonds (distance) P-C4' energy: -86.781 flat angles C4'-P-C4' energy: -69.027 flat angles P-C4'-P energy: -35.016 tors. eta vs tors. theta energy: -36.406 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: 4 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -1879.799791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.799791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.799791 (E_RNA) where: Base-Base interactions energy: -1339.939 where: short stacking energy: -539.752 Base-Backbone interact. energy: -2.009 local terms energy: -537.851663 where: bonds (distance) C4'-P energy: -99.480 bonds (distance) P-C4' energy: -91.680 flat angles C4'-P-C4' energy: -103.945 flat angles P-C4'-P energy: -78.492 tors. eta vs tors. theta energy: -164.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -1861.717332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.717332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.717332 (E_RNA) where: Base-Base interactions energy: -1296.055 where: short stacking energy: -506.108 Base-Backbone interact. energy: -2.599 local terms energy: -563.063163 where: bonds (distance) C4'-P energy: -96.284 bonds (distance) P-C4' energy: -99.923 flat angles C4'-P-C4' energy: -122.116 flat angles P-C4'-P energy: -76.570 tors. eta vs tors. theta energy: -168.170 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: 3, replica: 1 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -1811.676172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.676172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.676172 (E_RNA) where: Base-Base interactions energy: -1296.360 where: short stacking energy: -514.131 Base-Backbone interact. energy: 0.506 local terms energy: -515.822461 where: bonds (distance) C4'-P energy: -78.426 bonds (distance) P-C4' energy: -84.519 flat angles C4'-P-C4' energy: -112.208 flat angles P-C4'-P energy: -71.497 tors. eta vs tors. theta energy: -169.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -1751.707774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.707774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.707774 (E_RNA) where: Base-Base interactions energy: -1244.559 where: short stacking energy: -484.982 Base-Backbone interact. energy: -0.111 local terms energy: -507.037648 where: bonds (distance) C4'-P energy: -82.973 bonds (distance) P-C4' energy: -89.530 flat angles C4'-P-C4' energy: -100.253 flat angles P-C4'-P energy: -75.102 tors. eta vs tors. theta energy: -159.180 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: 3 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -1657.479221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.479221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.479221 (E_RNA) where: Base-Base interactions energy: -1179.248 where: short stacking energy: -469.059 Base-Backbone interact. energy: 0.545 local terms energy: -478.776814 where: bonds (distance) C4'-P energy: -90.650 bonds (distance) P-C4' energy: -81.062 flat angles C4'-P-C4' energy: -96.517 flat angles P-C4'-P energy: -69.672 tors. eta vs tors. theta energy: -140.875 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: 6, replica: 8 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -1596.437661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.437661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.437661 (E_RNA) where: Base-Base interactions energy: -1132.626 where: short stacking energy: -455.761 Base-Backbone interact. energy: 3.319 local terms energy: -467.130456 where: bonds (distance) C4'-P energy: -86.748 bonds (distance) P-C4' energy: -72.748 flat angles C4'-P-C4' energy: -95.967 flat angles P-C4'-P energy: -69.357 tors. eta vs tors. theta energy: -142.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -1356.579000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.579000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.579000 (E_RNA) where: Base-Base interactions energy: -945.044 where: short stacking energy: -383.745 Base-Backbone interact. energy: -0.444 local terms energy: -411.091450 where: bonds (distance) C4'-P energy: -84.239 bonds (distance) P-C4' energy: -67.223 flat angles C4'-P-C4' energy: -88.892 flat angles P-C4'-P energy: -50.698 tors. eta vs tors. theta energy: -120.040 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: 6 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -1274.496311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.496311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.496311 (E_RNA) where: Base-Base interactions energy: -888.189 where: short stacking energy: -375.289 Base-Backbone interact. energy: -0.505 local terms energy: -385.802465 where: bonds (distance) C4'-P energy: -75.693 bonds (distance) P-C4' energy: -77.681 flat angles C4'-P-C4' energy: -84.247 flat angles P-C4'-P energy: -54.121 tors. eta vs tors. theta energy: -94.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -1239.932564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.932564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.932564 (E_RNA) where: Base-Base interactions energy: -836.449 where: short stacking energy: -351.890 Base-Backbone interact. energy: -1.501 local terms energy: -401.982659 where: bonds (distance) C4'-P energy: -84.092 bonds (distance) P-C4' energy: -72.618 flat angles C4'-P-C4' energy: -88.558 flat angles P-C4'-P energy: -54.023 tors. eta vs tors. theta energy: -102.692 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: 7 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -874.226344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.226344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.226344 (E_RNA) where: Base-Base interactions energy: -574.539 where: short stacking energy: -256.216 Base-Backbone interact. energy: 5.310 local terms energy: -304.997837 where: bonds (distance) C4'-P energy: -64.367 bonds (distance) P-C4' energy: -81.833 flat angles C4'-P-C4' energy: -76.632 flat angles P-C4'-P energy: -38.810 tors. eta vs tors. theta energy: -43.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -1904.339214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.339214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.339214 (E_RNA) where: Base-Base interactions energy: -1335.668 where: short stacking energy: -524.021 Base-Backbone interact. energy: -0.511 local terms energy: -568.160770 where: bonds (distance) C4'-P energy: -103.695 bonds (distance) P-C4' energy: -106.029 flat angles C4'-P-C4' energy: -108.358 flat angles P-C4'-P energy: -84.297 tors. eta vs tors. theta energy: -165.782 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: 2, replica: 2 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -1841.493905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.493905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.493905 (E_RNA) where: Base-Base interactions energy: -1307.513 where: short stacking energy: -523.908 Base-Backbone interact. energy: -1.213 local terms energy: -532.768439 where: bonds (distance) C4'-P energy: -89.556 bonds (distance) P-C4' energy: -89.606 flat angles C4'-P-C4' energy: -117.040 flat angles P-C4'-P energy: -76.985 tors. eta vs tors. theta energy: -159.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -1797.642040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.642040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.642040 (E_RNA) where: Base-Base interactions energy: -1267.758 where: short stacking energy: -505.629 Base-Backbone interact. energy: -0.884 local terms energy: -529.000380 where: bonds (distance) C4'-P energy: -93.766 bonds (distance) P-C4' energy: -92.883 flat angles C4'-P-C4' energy: -110.272 flat angles P-C4'-P energy: -67.210 tors. eta vs tors. theta energy: -164.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -1776.106091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.106091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.106091 (E_RNA) where: Base-Base interactions energy: -1253.914 where: short stacking energy: -490.059 Base-Backbone interact. energy: 0.635 local terms energy: -522.827829 where: bonds (distance) C4'-P energy: -94.672 bonds (distance) P-C4' energy: -96.842 flat angles C4'-P-C4' energy: -104.244 flat angles P-C4'-P energy: -72.504 tors. eta vs tors. theta energy: -154.566 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: 3 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -1666.681773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.681773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.681773 (E_RNA) where: Base-Base interactions energy: -1177.234 where: short stacking energy: -470.103 Base-Backbone interact. energy: -1.834 local terms energy: -487.613813 where: bonds (distance) C4'-P energy: -82.691 bonds (distance) P-C4' energy: -74.986 flat angles C4'-P-C4' energy: -108.483 flat angles P-C4'-P energy: -78.181 tors. eta vs tors. theta energy: -143.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -1614.159687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.159687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.159687 (E_RNA) where: Base-Base interactions energy: -1118.704 where: short stacking energy: -453.806 Base-Backbone interact. energy: -1.766 local terms energy: -493.689723 where: bonds (distance) C4'-P energy: -91.075 bonds (distance) P-C4' energy: -87.202 flat angles C4'-P-C4' energy: -93.965 flat angles P-C4'-P energy: -77.248 tors. eta vs tors. theta energy: -144.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -1337.103139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.103139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.103139 (E_RNA) where: Base-Base interactions energy: -907.127 where: short stacking energy: -382.262 Base-Backbone interact. energy: -0.246 local terms energy: -429.730135 where: bonds (distance) C4'-P energy: -94.253 bonds (distance) P-C4' energy: -82.397 flat angles C4'-P-C4' energy: -86.145 flat angles P-C4'-P energy: -67.005 tors. eta vs tors. theta energy: -99.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -1207.614658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.614658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.614658 (E_RNA) where: Base-Base interactions energy: -807.291 where: short stacking energy: -343.462 Base-Backbone interact. energy: -1.471 local terms energy: -398.852162 where: bonds (distance) C4'-P energy: -79.881 bonds (distance) P-C4' energy: -81.479 flat angles C4'-P-C4' energy: -89.924 flat angles P-C4'-P energy: -54.755 tors. eta vs tors. theta energy: -92.814 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: 10 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -1200.036014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.036014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.036014 (E_RNA) where: Base-Base interactions energy: -801.682 where: short stacking energy: -335.357 Base-Backbone interact. energy: 1.566 local terms energy: -399.919731 where: bonds (distance) C4'-P energy: -82.197 bonds (distance) P-C4' energy: -78.349 flat angles C4'-P-C4' energy: -93.007 flat angles P-C4'-P energy: -49.938 tors. eta vs tors. theta energy: -96.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -900.574964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.574964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.574964 (E_RNA) where: Base-Base interactions energy: -586.057 where: short stacking energy: -266.894 Base-Backbone interact. energy: 0.601 local terms energy: -315.119419 where: bonds (distance) C4'-P energy: -67.822 bonds (distance) P-C4' energy: -67.596 flat angles C4'-P-C4' energy: -85.953 flat angles P-C4'-P energy: -49.106 tors. eta vs tors. theta energy: -44.642 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: 4 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -1890.418805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.418805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.418805 (E_RNA) where: Base-Base interactions energy: -1349.252 where: short stacking energy: -550.711 Base-Backbone interact. energy: -2.429 local terms energy: -538.738169 where: bonds (distance) C4'-P energy: -97.091 bonds (distance) P-C4' energy: -88.982 flat angles C4'-P-C4' energy: -108.130 flat angles P-C4'-P energy: -79.022 tors. eta vs tors. theta energy: -165.513 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: 2 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -1833.681184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.681184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.681184 (E_RNA) where: Base-Base interactions energy: -1268.982 where: short stacking energy: -515.390 Base-Backbone interact. energy: 3.188 local terms energy: -567.886912 where: bonds (distance) C4'-P energy: -99.512 bonds (distance) P-C4' energy: -108.366 flat angles C4'-P-C4' energy: -119.589 flat angles P-C4'-P energy: -76.576 tors. eta vs tors. theta energy: -163.845 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: 1 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -1795.463910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.463910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.463910 (E_RNA) where: Base-Base interactions energy: -1277.560 where: short stacking energy: -523.198 Base-Backbone interact. energy: -1.777 local terms energy: -516.126161 where: bonds (distance) C4'-P energy: -82.569 bonds (distance) P-C4' energy: -86.668 flat angles C4'-P-C4' energy: -112.551 flat angles P-C4'-P energy: -72.974 tors. eta vs tors. theta energy: -161.364 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: 477 Temperature: 1.050000 Total energy: -1764.556266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.556266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.556266 (E_RNA) where: Base-Base interactions energy: -1245.595 where: short stacking energy: -489.350 Base-Backbone interact. energy: 3.209 local terms energy: -522.170080 where: bonds (distance) C4'-P energy: -97.267 bonds (distance) P-C4' energy: -82.955 flat angles C4'-P-C4' energy: -116.812 flat angles P-C4'-P energy: -75.198 tors. eta vs tors. theta energy: -149.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -1633.540071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.540071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.540071 (E_RNA) where: Base-Base interactions energy: -1141.088 where: short stacking energy: -454.166 Base-Backbone interact. energy: -2.031 local terms energy: -490.420590 where: bonds (distance) C4'-P energy: -83.193 bonds (distance) P-C4' energy: -83.636 flat angles C4'-P-C4' energy: -115.280 flat angles P-C4'-P energy: -60.252 tors. eta vs tors. theta energy: -148.060 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: 6, replica: 8 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -1625.820351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.820351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.820351 (E_RNA) where: Base-Base interactions energy: -1152.436 where: short stacking energy: -459.159 Base-Backbone interact. energy: -0.989 local terms energy: -472.395229 where: bonds (distance) C4'-P energy: -80.002 bonds (distance) P-C4' energy: -82.500 flat angles C4'-P-C4' energy: -93.507 flat angles P-C4'-P energy: -73.454 tors. eta vs tors. theta energy: -142.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -1336.885746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.885746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.885746 (E_RNA) where: Base-Base interactions energy: -903.021 where: short stacking energy: -364.606 Base-Backbone interact. energy: -1.787 local terms energy: -432.077265 where: bonds (distance) C4'-P energy: -99.312 bonds (distance) P-C4' energy: -85.946 flat angles C4'-P-C4' energy: -77.872 flat angles P-C4'-P energy: -63.826 tors. eta vs tors. theta energy: -105.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -1228.937635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.937635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.937635 (E_RNA) where: Base-Base interactions energy: -813.942 where: short stacking energy: -334.019 Base-Backbone interact. energy: -1.377 local terms energy: -413.618372 where: bonds (distance) C4'-P energy: -69.159 bonds (distance) P-C4' energy: -76.968 flat angles C4'-P-C4' energy: -93.460 flat angles P-C4'-P energy: -66.681 tors. eta vs tors. theta energy: -107.349 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: 10 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -1210.396286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.396286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.396286 (E_RNA) where: Base-Base interactions energy: -823.135 where: short stacking energy: -335.911 Base-Backbone interact. energy: -0.497 local terms energy: -386.764867 where: bonds (distance) C4'-P energy: -68.218 bonds (distance) P-C4' energy: -82.918 flat angles C4'-P-C4' energy: -84.894 flat angles P-C4'-P energy: -56.571 tors. eta vs tors. theta energy: -94.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -828.413911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.413911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.413911 (E_RNA) where: Base-Base interactions energy: -518.842 where: short stacking energy: -234.359 Base-Backbone interact. energy: -0.424 local terms energy: -309.148080 where: bonds (distance) C4'-P energy: -69.450 bonds (distance) P-C4' energy: -80.380 flat angles C4'-P-C4' energy: -77.353 flat angles P-C4'-P energy: -51.572 tors. eta vs tors. theta energy: -30.393 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: 4 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -1910.602337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.602337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.602337 (E_RNA) where: Base-Base interactions energy: -1363.274 where: short stacking energy: -539.061 Base-Backbone interact. energy: -2.024 local terms energy: -545.303883 where: bonds (distance) C4'-P energy: -100.263 bonds (distance) P-C4' energy: -86.543 flat angles C4'-P-C4' energy: -115.635 flat angles P-C4'-P energy: -78.172 tors. eta vs tors. theta energy: -164.691 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: 478 Temperature: 0.950000 Total energy: -1866.031516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.031516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.031516 (E_RNA) where: Base-Base interactions energy: -1334.577 where: short stacking energy: -529.194 Base-Backbone interact. energy: 6.043 local terms energy: -537.496784 where: bonds (distance) C4'-P energy: -93.590 bonds (distance) P-C4' energy: -86.066 flat angles C4'-P-C4' energy: -115.219 flat angles P-C4'-P energy: -75.853 tors. eta vs tors. theta energy: -166.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -1794.569398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.569398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.569398 (E_RNA) where: Base-Base interactions energy: -1262.516 where: short stacking energy: -513.490 Base-Backbone interact. energy: -1.448 local terms energy: -530.605365 where: bonds (distance) C4'-P energy: -88.008 bonds (distance) P-C4' energy: -87.794 flat angles C4'-P-C4' energy: -117.590 flat angles P-C4'-P energy: -78.589 tors. eta vs tors. theta energy: -158.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -1764.195945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.195945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.195945 (E_RNA) where: Base-Base interactions energy: -1271.023 where: short stacking energy: -477.322 Base-Backbone interact. energy: 2.125 local terms energy: -495.298062 where: bonds (distance) C4'-P energy: -80.608 bonds (distance) P-C4' energy: -84.942 flat angles C4'-P-C4' energy: -104.896 flat angles P-C4'-P energy: -76.806 tors. eta vs tors. theta energy: -148.047 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: 5, replica: 3 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -1681.248590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.248590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.248590 (E_RNA) where: Base-Base interactions energy: -1143.695 where: short stacking energy: -491.199 Base-Backbone interact. energy: -1.614 local terms energy: -535.939581 where: bonds (distance) C4'-P energy: -100.539 bonds (distance) P-C4' energy: -92.508 flat angles C4'-P-C4' energy: -110.506 flat angles P-C4'-P energy: -76.724 tors. eta vs tors. theta energy: -155.662 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: 8 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -1609.228281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.228281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.228281 (E_RNA) where: Base-Base interactions energy: -1144.487 where: short stacking energy: -472.360 Base-Backbone interact. energy: 0.820 local terms energy: -465.561478 where: bonds (distance) C4'-P energy: -70.384 bonds (distance) P-C4' energy: -78.547 flat angles C4'-P-C4' energy: -110.491 flat angles P-C4'-P energy: -63.418 tors. eta vs tors. theta energy: -142.722 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: 6 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -1360.129813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.129813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.129813 (E_RNA) where: Base-Base interactions energy: -926.601 where: short stacking energy: -374.363 Base-Backbone interact. energy: 4.398 local terms energy: -437.927146 where: bonds (distance) C4'-P energy: -83.186 bonds (distance) P-C4' energy: -89.180 flat angles C4'-P-C4' energy: -92.914 flat angles P-C4'-P energy: -64.601 tors. eta vs tors. theta energy: -108.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -1374.682873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.682873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.682873 (E_RNA) where: Base-Base interactions energy: -970.799 where: short stacking energy: -407.453 Base-Backbone interact. energy: -0.700 local terms energy: -403.183583 where: bonds (distance) C4'-P energy: -59.670 bonds (distance) P-C4' energy: -85.262 flat angles C4'-P-C4' energy: -90.792 flat angles P-C4'-P energy: -49.226 tors. eta vs tors. theta energy: -118.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -1274.021983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.021983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.021983 (E_RNA) where: Base-Base interactions energy: -863.102 where: short stacking energy: -360.062 Base-Backbone interact. energy: -0.332 local terms energy: -410.588620 where: bonds (distance) C4'-P energy: -91.529 bonds (distance) P-C4' energy: -85.605 flat angles C4'-P-C4' energy: -81.670 flat angles P-C4'-P energy: -47.704 tors. eta vs tors. theta energy: -104.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -829.459265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.459265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.459265 (E_RNA) where: Base-Base interactions energy: -518.813 where: short stacking energy: -248.569 Base-Backbone interact. energy: 2.883 local terms energy: -313.529448 where: bonds (distance) C4'-P energy: -64.476 bonds (distance) P-C4' energy: -91.010 flat angles C4'-P-C4' energy: -78.826 flat angles P-C4'-P energy: -33.332 tors. eta vs tors. theta energy: -45.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -1883.609785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.609785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.609785 (E_RNA) where: Base-Base interactions energy: -1339.762 where: short stacking energy: -532.555 Base-Backbone interact. energy: -3.780 local terms energy: -540.068232 where: bonds (distance) C4'-P energy: -92.560 bonds (distance) P-C4' energy: -89.545 flat angles C4'-P-C4' energy: -114.956 flat angles P-C4'-P energy: -78.981 tors. eta vs tors. theta energy: -164.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -1810.146050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.146050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.146050 (E_RNA) where: Base-Base interactions energy: -1293.879 where: short stacking energy: -520.403 Base-Backbone interact. energy: 1.158 local terms energy: -517.425580 where: bonds (distance) C4'-P energy: -89.994 bonds (distance) P-C4' energy: -79.529 flat angles C4'-P-C4' energy: -113.230 flat angles P-C4'-P energy: -69.863 tors. eta vs tors. theta energy: -164.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -1824.320772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.320772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.320772 (E_RNA) where: Base-Base interactions energy: -1294.541 where: short stacking energy: -513.338 Base-Backbone interact. energy: 1.202 local terms energy: -530.981721 where: bonds (distance) C4'-P energy: -94.391 bonds (distance) P-C4' energy: -93.294 flat angles C4'-P-C4' energy: -110.454 flat angles P-C4'-P energy: -72.613 tors. eta vs tors. theta energy: -160.229 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: 9 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -1772.546993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.546993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.546993 (E_RNA) where: Base-Base interactions energy: -1270.362 where: short stacking energy: -492.449 Base-Backbone interact. energy: 0.431 local terms energy: -502.615701 where: bonds (distance) C4'-P energy: -90.006 bonds (distance) P-C4' energy: -88.670 flat angles C4'-P-C4' energy: -99.278 flat angles P-C4'-P energy: -75.410 tors. eta vs tors. theta energy: -149.252 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: 479 Temperature: 1.100000 Total energy: -1659.635446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.635446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.635446 (E_RNA) where: Base-Base interactions energy: -1157.592 where: short stacking energy: -459.248 Base-Backbone interact. energy: -0.481 local terms energy: -501.562547 where: bonds (distance) C4'-P energy: -92.936 bonds (distance) P-C4' energy: -91.615 flat angles C4'-P-C4' energy: -103.199 flat angles P-C4'-P energy: -67.024 tors. eta vs tors. theta energy: -146.788 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: 8 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -1604.979810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.979810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.979810 (E_RNA) where: Base-Base interactions energy: -1130.130 where: short stacking energy: -453.640 Base-Backbone interact. energy: -0.525 local terms energy: -474.324307 where: bonds (distance) C4'-P energy: -75.833 bonds (distance) P-C4' energy: -74.414 flat angles C4'-P-C4' energy: -105.168 flat angles P-C4'-P energy: -75.001 tors. eta vs tors. theta energy: -143.907 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: 6 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -1391.137539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.137539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.137539 (E_RNA) where: Base-Base interactions energy: -956.578 where: short stacking energy: -390.217 Base-Backbone interact. energy: 0.791 local terms energy: -435.350648 where: bonds (distance) C4'-P energy: -96.670 bonds (distance) P-C4' energy: -70.138 flat angles C4'-P-C4' energy: -93.051 flat angles P-C4'-P energy: -61.436 tors. eta vs tors. theta energy: -114.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -1364.386298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.386298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.386298 (E_RNA) where: Base-Base interactions energy: -932.336 where: short stacking energy: -355.009 Base-Backbone interact. energy: 3.040 local terms energy: -435.089870 where: bonds (distance) C4'-P energy: -76.774 bonds (distance) P-C4' energy: -84.638 flat angles C4'-P-C4' energy: -96.035 flat angles P-C4'-P energy: -72.729 tors. eta vs tors. theta energy: -104.913 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: 10 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -1229.349151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.349151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.349151 (E_RNA) where: Base-Base interactions energy: -815.101 where: short stacking energy: -335.042 Base-Backbone interact. energy: -1.022 local terms energy: -413.226327 where: bonds (distance) C4'-P energy: -88.012 bonds (distance) P-C4' energy: -75.881 flat angles C4'-P-C4' energy: -94.075 flat angles P-C4'-P energy: -57.868 tors. eta vs tors. theta energy: -97.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -795.788694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.788694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.788694 (E_RNA) where: Base-Base interactions energy: -467.688 where: short stacking energy: -210.298 Base-Backbone interact. energy: -4.981 local terms energy: -323.119214 where: bonds (distance) C4'-P energy: -77.529 bonds (distance) P-C4' energy: -84.348 flat angles C4'-P-C4' energy: -74.954 flat angles P-C4'-P energy: -50.126 tors. eta vs tors. theta energy: -36.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -1862.839132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.839132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.839132 (E_RNA) where: Base-Base interactions energy: -1312.736 where: short stacking energy: -546.822 Base-Backbone interact. energy: -1.633 local terms energy: -548.469634 where: bonds (distance) C4'-P energy: -87.690 bonds (distance) P-C4' energy: -90.646 flat angles C4'-P-C4' energy: -114.227 flat angles P-C4'-P energy: -87.466 tors. eta vs tors. theta energy: -168.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -1885.273314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.273314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.273314 (E_RNA) where: Base-Base interactions energy: -1353.441 where: short stacking energy: -528.343 Base-Backbone interact. energy: -1.913 local terms energy: -529.919214 where: bonds (distance) C4'-P energy: -85.447 bonds (distance) P-C4' energy: -89.235 flat angles C4'-P-C4' energy: -115.492 flat angles P-C4'-P energy: -78.573 tors. eta vs tors. theta energy: -161.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -1840.751645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.751645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.751645 (E_RNA) where: Base-Base interactions energy: -1316.145 where: short stacking energy: -536.738 Base-Backbone interact. energy: -1.213 local terms energy: -523.393979 where: bonds (distance) C4'-P energy: -91.505 bonds (distance) P-C4' energy: -78.562 flat angles C4'-P-C4' energy: -109.930 flat angles P-C4'-P energy: -72.219 tors. eta vs tors. theta energy: -171.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -1753.390419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.390419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.390419 (E_RNA) where: Base-Base interactions energy: -1273.629 where: short stacking energy: -497.789 Base-Backbone interact. energy: -0.947 local terms energy: -478.814435 where: bonds (distance) C4'-P energy: -76.944 bonds (distance) P-C4' energy: -76.507 flat angles C4'-P-C4' energy: -108.996 flat angles P-C4'-P energy: -69.056 tors. eta vs tors. theta energy: -147.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -1629.225110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.225110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.225110 (E_RNA) where: Base-Base interactions energy: -1139.758 where: short stacking energy: -460.775 Base-Backbone interact. energy: -2.125 local terms energy: -487.342300 where: bonds (distance) C4'-P energy: -84.802 bonds (distance) P-C4' energy: -81.050 flat angles C4'-P-C4' energy: -108.170 flat angles P-C4'-P energy: -73.953 tors. eta vs tors. theta energy: -139.368 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: 3 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -1580.700945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.700945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.700945 (E_RNA) where: Base-Base interactions energy: -1092.522 where: short stacking energy: -426.159 Base-Backbone interact. energy: -3.511 local terms energy: -484.667383 where: bonds (distance) C4'-P energy: -94.584 bonds (distance) P-C4' energy: -91.955 flat angles C4'-P-C4' energy: -102.794 flat angles P-C4'-P energy: -56.664 tors. eta vs tors. theta energy: -138.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -1440.655683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.655683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.655683 (E_RNA) where: Base-Base interactions energy: -1031.142 where: short stacking energy: -419.938 Base-Backbone interact. energy: -1.442 local terms energy: -408.071509 where: bonds (distance) C4'-P energy: -60.148 bonds (distance) P-C4' energy: -81.922 flat angles C4'-P-C4' energy: -92.496 flat angles P-C4'-P energy: -54.029 tors. eta vs tors. theta energy: -119.476 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: 8, replica: 6 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -1309.162912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.162912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.162912 (E_RNA) where: Base-Base interactions energy: -898.505 where: short stacking energy: -365.076 Base-Backbone interact. energy: 3.300 local terms energy: -413.957487 where: bonds (distance) C4'-P energy: -86.934 bonds (distance) P-C4' energy: -80.468 flat angles C4'-P-C4' energy: -97.325 flat angles P-C4'-P energy: -49.798 tors. eta vs tors. theta energy: -99.433 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: 10 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -1261.797370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.797370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.797370 (E_RNA) where: Base-Base interactions energy: -862.791 where: short stacking energy: -347.480 Base-Backbone interact. energy: 1.001 local terms energy: -400.006765 where: bonds (distance) C4'-P energy: -80.997 bonds (distance) P-C4' energy: -85.166 flat angles C4'-P-C4' energy: -82.788 flat angles P-C4'-P energy: -54.126 tors. eta vs tors. theta energy: -96.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -815.060903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.060903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.060903 (E_RNA) where: Base-Base interactions energy: -520.538 where: short stacking energy: -236.137 Base-Backbone interact. energy: 5.396 local terms energy: -299.919681 where: bonds (distance) C4'-P energy: -70.327 bonds (distance) P-C4' energy: -78.489 flat angles C4'-P-C4' energy: -72.068 flat angles P-C4'-P energy: -41.438 tors. eta vs tors. theta energy: -37.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -1850.797576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.797576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.797576 (E_RNA) where: Base-Base interactions energy: -1297.680 where: short stacking energy: -528.105 Base-Backbone interact. energy: -0.054 local terms energy: -553.063483 where: bonds (distance) C4'-P energy: -97.483 bonds (distance) P-C4' energy: -106.388 flat angles C4'-P-C4' energy: -118.955 flat angles P-C4'-P energy: -69.282 tors. eta vs tors. theta energy: -160.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -1873.112141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.112141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.112141 (E_RNA) where: Base-Base interactions energy: -1343.140 where: short stacking energy: -541.455 Base-Backbone interact. energy: -1.287 local terms energy: -528.685171 where: bonds (distance) C4'-P energy: -96.358 bonds (distance) P-C4' energy: -99.258 flat angles C4'-P-C4' energy: -100.361 flat angles P-C4'-P energy: -72.598 tors. eta vs tors. theta energy: -160.110 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: 2 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -1837.782132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.782132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.782132 (E_RNA) where: Base-Base interactions energy: -1300.698 where: short stacking energy: -517.841 Base-Backbone interact. energy: -1.605 local terms energy: -535.478809 where: bonds (distance) C4'-P energy: -87.700 bonds (distance) P-C4' energy: -89.486 flat angles C4'-P-C4' energy: -115.102 flat angles P-C4'-P energy: -78.861 tors. eta vs tors. theta energy: -164.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -1751.509245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.509245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.509245 (E_RNA) where: Base-Base interactions energy: -1238.814 where: short stacking energy: -477.037 Base-Backbone interact. energy: -0.298 local terms energy: -512.397162 where: bonds (distance) C4'-P energy: -88.861 bonds (distance) P-C4' energy: -102.745 flat angles C4'-P-C4' energy: -98.644 flat angles P-C4'-P energy: -72.110 tors. eta vs tors. theta energy: -150.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -1641.783426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.783426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.783426 (E_RNA) where: Base-Base interactions energy: -1154.839 where: short stacking energy: -473.457 Base-Backbone interact. energy: -0.401 local terms energy: -486.543279 where: bonds (distance) C4'-P energy: -80.453 bonds (distance) P-C4' energy: -96.357 flat angles C4'-P-C4' energy: -98.567 flat angles P-C4'-P energy: -68.337 tors. eta vs tors. theta energy: -142.829 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: 3 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -1615.350495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.350495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.350495 (E_RNA) where: Base-Base interactions energy: -1117.830 where: short stacking energy: -459.273 Base-Backbone interact. energy: -2.173 local terms energy: -495.347205 where: bonds (distance) C4'-P energy: -90.705 bonds (distance) P-C4' energy: -83.252 flat angles C4'-P-C4' energy: -101.910 flat angles P-C4'-P energy: -69.283 tors. eta vs tors. theta energy: -150.197 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: 5 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -1464.710755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.710755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.710755 (E_RNA) where: Base-Base interactions energy: -997.674 where: short stacking energy: -390.733 Base-Backbone interact. energy: -1.390 local terms energy: -465.646421 where: bonds (distance) C4'-P energy: -90.898 bonds (distance) P-C4' energy: -83.199 flat angles C4'-P-C4' energy: -93.112 flat angles P-C4'-P energy: -73.712 tors. eta vs tors. theta energy: -124.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -1261.700156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.700156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.700156 (E_RNA) where: Base-Base interactions energy: -857.515 where: short stacking energy: -349.241 Base-Backbone interact. energy: -0.881 local terms energy: -403.304460 where: bonds (distance) C4'-P energy: -53.032 bonds (distance) P-C4' energy: -92.234 flat angles C4'-P-C4' energy: -88.303 flat angles P-C4'-P energy: -68.808 tors. eta vs tors. theta energy: -100.928 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: 9, replica: 10 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -1210.470034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.470034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.470034 (E_RNA) where: Base-Base interactions energy: -836.790 where: short stacking energy: -349.486 Base-Backbone interact. energy: 1.303 local terms energy: -374.983495 where: bonds (distance) C4'-P energy: -70.751 bonds (distance) P-C4' energy: -76.055 flat angles C4'-P-C4' energy: -85.201 flat angles P-C4'-P energy: -55.804 tors. eta vs tors. theta energy: -87.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -806.022775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.022775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.022775 (E_RNA) where: Base-Base interactions energy: -502.843 where: short stacking energy: -217.729 Base-Backbone interact. energy: 0.782 local terms energy: -303.961243 where: bonds (distance) C4'-P energy: -69.833 bonds (distance) P-C4' energy: -76.010 flat angles C4'-P-C4' energy: -66.079 flat angles P-C4'-P energy: -49.681 tors. eta vs tors. theta energy: -42.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -1906.715949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.715949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.715949 (E_RNA) where: Base-Base interactions energy: -1342.391 where: short stacking energy: -544.382 Base-Backbone interact. energy: -1.875 local terms energy: -562.450059 where: bonds (distance) C4'-P energy: -90.303 bonds (distance) P-C4' energy: -96.578 flat angles C4'-P-C4' energy: -121.617 flat angles P-C4'-P energy: -90.128 tors. eta vs tors. theta energy: -163.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -1832.608835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.608835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.608835 (E_RNA) where: Base-Base interactions energy: -1290.240 where: short stacking energy: -533.438 Base-Backbone interact. energy: -1.093 local terms energy: -541.275880 where: bonds (distance) C4'-P energy: -99.603 bonds (distance) P-C4' energy: -92.691 flat angles C4'-P-C4' energy: -113.333 flat angles P-C4'-P energy: -80.166 tors. eta vs tors. theta energy: -155.482 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: 482 Temperature: 1.000000 Total energy: -1847.247472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.247472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.247472 (E_RNA) where: Base-Base interactions energy: -1321.989 where: short stacking energy: -526.577 Base-Backbone interact. energy: -1.768 local terms energy: -523.490891 where: bonds (distance) C4'-P energy: -94.429 bonds (distance) P-C4' energy: -79.744 flat angles C4'-P-C4' energy: -112.776 flat angles P-C4'-P energy: -71.169 tors. eta vs tors. theta energy: -165.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -1747.051337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.051337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.051337 (E_RNA) where: Base-Base interactions energy: -1254.457 where: short stacking energy: -491.978 Base-Backbone interact. energy: 3.641 local terms energy: -496.235626 where: bonds (distance) C4'-P energy: -95.115 bonds (distance) P-C4' energy: -85.306 flat angles C4'-P-C4' energy: -96.359 flat angles P-C4'-P energy: -73.549 tors. eta vs tors. theta energy: -145.907 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: 8 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -1626.386719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.386719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.386719 (E_RNA) where: Base-Base interactions energy: -1143.806 where: short stacking energy: -446.427 Base-Backbone interact. energy: 0.193 local terms energy: -482.774150 where: bonds (distance) C4'-P energy: -93.358 bonds (distance) P-C4' energy: -88.347 flat angles C4'-P-C4' energy: -99.640 flat angles P-C4'-P energy: -62.835 tors. eta vs tors. theta energy: -138.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -1592.525379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.525379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.525379 (E_RNA) where: Base-Base interactions energy: -1117.805 where: short stacking energy: -452.117 Base-Backbone interact. energy: -1.217 local terms energy: -473.503513 where: bonds (distance) C4'-P energy: -90.171 bonds (distance) P-C4' energy: -81.460 flat angles C4'-P-C4' energy: -97.532 flat angles P-C4'-P energy: -70.765 tors. eta vs tors. theta energy: -133.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -1483.191801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.191801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.191801 (E_RNA) where: Base-Base interactions energy: -1037.809 where: short stacking energy: -421.849 Base-Backbone interact. energy: 1.671 local terms energy: -447.054117 where: bonds (distance) C4'-P energy: -82.849 bonds (distance) P-C4' energy: -83.006 flat angles C4'-P-C4' energy: -92.982 flat angles P-C4'-P energy: -59.124 tors. eta vs tors. theta energy: -129.093 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: 482 Temperature: 1.250000 Total energy: -1282.598145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.598145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.598145 (E_RNA) where: Base-Base interactions energy: -874.705 where: short stacking energy: -375.793 Base-Backbone interact. energy: 0.842 local terms energy: -408.735553 where: bonds (distance) C4'-P energy: -80.238 bonds (distance) P-C4' energy: -68.774 flat angles C4'-P-C4' energy: -100.727 flat angles P-C4'-P energy: -60.480 tors. eta vs tors. theta energy: -98.517 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: 10 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -1246.316294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.316294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.316294 (E_RNA) where: Base-Base interactions energy: -857.263 where: short stacking energy: -353.656 Base-Backbone interact. energy: 1.270 local terms energy: -390.323663 where: bonds (distance) C4'-P energy: -67.447 bonds (distance) P-C4' energy: -74.187 flat angles C4'-P-C4' energy: -86.207 flat angles P-C4'-P energy: -65.779 tors. eta vs tors. theta energy: -96.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -812.838593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.838593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.838593 (E_RNA) where: Base-Base interactions energy: -515.419 where: short stacking energy: -230.717 Base-Backbone interact. energy: -2.009 local terms energy: -295.410890 where: bonds (distance) C4'-P energy: -78.635 bonds (distance) P-C4' energy: -66.341 flat angles C4'-P-C4' energy: -67.932 flat angles P-C4'-P energy: -54.989 tors. eta vs tors. theta energy: -27.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -1901.163739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.163739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.163739 (E_RNA) where: Base-Base interactions energy: -1338.269 where: short stacking energy: -534.069 Base-Backbone interact. energy: -0.309 local terms energy: -562.585397 where: bonds (distance) C4'-P energy: -108.159 bonds (distance) P-C4' energy: -93.843 flat angles C4'-P-C4' energy: -110.502 flat angles P-C4'-P energy: -85.199 tors. eta vs tors. theta energy: -164.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -1832.513220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.513220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.513220 (E_RNA) where: Base-Base interactions energy: -1297.866 where: short stacking energy: -521.131 Base-Backbone interact. energy: -2.322 local terms energy: -532.324663 where: bonds (distance) C4'-P energy: -95.940 bonds (distance) P-C4' energy: -95.151 flat angles C4'-P-C4' energy: -106.939 flat angles P-C4'-P energy: -75.452 tors. eta vs tors. theta energy: -158.843 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: 483 Temperature: 1.000000 Total energy: -1829.381012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.381012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.381012 (E_RNA) where: Base-Base interactions energy: -1308.803 where: short stacking energy: -527.663 Base-Backbone interact. energy: -0.876 local terms energy: -519.702579 where: bonds (distance) C4'-P energy: -87.766 bonds (distance) P-C4' energy: -82.367 flat angles C4'-P-C4' energy: -113.550 flat angles P-C4'-P energy: -73.559 tors. eta vs tors. theta energy: -162.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -1736.092700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.092700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.092700 (E_RNA) where: Base-Base interactions energy: -1238.713 where: short stacking energy: -481.636 Base-Backbone interact. energy: -2.013 local terms energy: -495.366403 where: bonds (distance) C4'-P energy: -81.663 bonds (distance) P-C4' energy: -88.671 flat angles C4'-P-C4' energy: -99.623 flat angles P-C4'-P energy: -79.254 tors. eta vs tors. theta energy: -146.155 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: 483 Temperature: 1.100000 Total energy: -1650.579192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.579192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.579192 (E_RNA) where: Base-Base interactions energy: -1144.421 where: short stacking energy: -476.898 Base-Backbone interact. energy: -1.011 local terms energy: -505.147510 where: bonds (distance) C4'-P energy: -88.082 bonds (distance) P-C4' energy: -88.450 flat angles C4'-P-C4' energy: -103.566 flat angles P-C4'-P energy: -79.285 tors. eta vs tors. theta energy: -145.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -1631.525647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.525647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.525647 (E_RNA) where: Base-Base interactions energy: -1164.595 where: short stacking energy: -467.848 Base-Backbone interact. energy: -1.221 local terms energy: -465.710252 where: bonds (distance) C4'-P energy: -82.237 bonds (distance) P-C4' energy: -78.647 flat angles C4'-P-C4' energy: -99.110 flat angles P-C4'-P energy: -68.719 tors. eta vs tors. theta energy: -136.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -1475.068748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.068748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.068748 (E_RNA) where: Base-Base interactions energy: -1021.042 where: short stacking energy: -420.374 Base-Backbone interact. energy: -0.740 local terms energy: -453.286806 where: bonds (distance) C4'-P energy: -80.855 bonds (distance) P-C4' energy: -85.070 flat angles C4'-P-C4' energy: -93.308 flat angles P-C4'-P energy: -61.505 tors. eta vs tors. theta energy: -132.549 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: 6 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -1262.955917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.955917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.955917 (E_RNA) where: Base-Base interactions energy: -864.359 where: short stacking energy: -356.268 Base-Backbone interact. energy: -0.879 local terms energy: -397.717556 where: bonds (distance) C4'-P energy: -65.106 bonds (distance) P-C4' energy: -73.868 flat angles C4'-P-C4' energy: -97.391 flat angles P-C4'-P energy: -65.182 tors. eta vs tors. theta energy: -96.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -1222.210957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.210957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.210957 (E_RNA) where: Base-Base interactions energy: -793.956 where: short stacking energy: -321.665 Base-Backbone interact. energy: 0.097 local terms energy: -428.352031 where: bonds (distance) C4'-P energy: -80.956 bonds (distance) P-C4' energy: -81.064 flat angles C4'-P-C4' energy: -107.185 flat angles P-C4'-P energy: -61.283 tors. eta vs tors. theta energy: -97.863 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: 10, replica: 7 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -770.995164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.995164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.995164 (E_RNA) where: Base-Base interactions energy: -463.680 where: short stacking energy: -217.086 Base-Backbone interact. energy: -2.056 local terms energy: -305.259626 where: bonds (distance) C4'-P energy: -76.652 bonds (distance) P-C4' energy: -74.239 flat angles C4'-P-C4' energy: -77.461 flat angles P-C4'-P energy: -49.043 tors. eta vs tors. theta energy: -27.864 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: 4 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -1878.087320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.087320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.087320 (E_RNA) where: Base-Base interactions energy: -1330.168 where: short stacking energy: -525.186 Base-Backbone interact. energy: -0.752 local terms energy: -547.167435 where: bonds (distance) C4'-P energy: -92.330 bonds (distance) P-C4' energy: -101.866 flat angles C4'-P-C4' energy: -111.751 flat angles P-C4'-P energy: -83.425 tors. eta vs tors. theta energy: -157.795 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: 1 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -1834.448638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.448638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.448638 (E_RNA) where: Base-Base interactions energy: -1277.356 where: short stacking energy: -515.572 Base-Backbone interact. energy: -0.628 local terms energy: -556.464819 where: bonds (distance) C4'-P energy: -95.747 bonds (distance) P-C4' energy: -102.914 flat angles C4'-P-C4' energy: -116.529 flat angles P-C4'-P energy: -77.280 tors. eta vs tors. theta energy: -163.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -1833.258989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.258989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.258989 (E_RNA) where: Base-Base interactions energy: -1301.941 where: short stacking energy: -509.249 Base-Backbone interact. energy: -0.911 local terms energy: -530.407301 where: bonds (distance) C4'-P energy: -90.853 bonds (distance) P-C4' energy: -95.869 flat angles C4'-P-C4' energy: -105.359 flat angles P-C4'-P energy: -83.757 tors. eta vs tors. theta energy: -154.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -1746.132495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.132495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.132495 (E_RNA) where: Base-Base interactions energy: -1260.823 where: short stacking energy: -490.849 Base-Backbone interact. energy: 2.231 local terms energy: -487.539634 where: bonds (distance) C4'-P energy: -77.245 bonds (distance) P-C4' energy: -88.387 flat angles C4'-P-C4' energy: -101.544 flat angles P-C4'-P energy: -77.914 tors. eta vs tors. theta energy: -142.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -1636.123791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.123791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.123791 (E_RNA) where: Base-Base interactions energy: -1137.351 where: short stacking energy: -456.289 Base-Backbone interact. energy: -0.922 local terms energy: -497.851338 where: bonds (distance) C4'-P energy: -80.829 bonds (distance) P-C4' energy: -86.683 flat angles C4'-P-C4' energy: -111.465 flat angles P-C4'-P energy: -68.343 tors. eta vs tors. theta energy: -150.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -1621.999403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.999403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.999403 (E_RNA) where: Base-Base interactions energy: -1146.093 where: short stacking energy: -455.307 Base-Backbone interact. energy: -1.072 local terms energy: -474.833793 where: bonds (distance) C4'-P energy: -72.580 bonds (distance) P-C4' energy: -83.541 flat angles C4'-P-C4' energy: -99.443 flat angles P-C4'-P energy: -69.706 tors. eta vs tors. theta energy: -149.565 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: 7, replica: 5 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -1442.940587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.940587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.940587 (E_RNA) where: Base-Base interactions energy: -979.209 where: short stacking energy: -391.767 Base-Backbone interact. energy: -1.888 local terms energy: -461.843696 where: bonds (distance) C4'-P energy: -81.821 bonds (distance) P-C4' energy: -96.526 flat angles C4'-P-C4' energy: -103.510 flat angles P-C4'-P energy: -59.049 tors. eta vs tors. theta energy: -120.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -1270.073398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.073398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.073398 (E_RNA) where: Base-Base interactions energy: -878.472 where: short stacking energy: -350.422 Base-Backbone interact. energy: -0.849 local terms energy: -390.752683 where: bonds (distance) C4'-P energy: -77.336 bonds (distance) P-C4' energy: -72.517 flat angles C4'-P-C4' energy: -99.310 flat angles P-C4'-P energy: -45.883 tors. eta vs tors. theta energy: -95.707 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: 10 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -1256.537251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.537251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.537251 (E_RNA) where: Base-Base interactions energy: -845.653 where: short stacking energy: -363.485 Base-Backbone interact. energy: 0.319 local terms energy: -411.202593 where: bonds (distance) C4'-P energy: -80.267 bonds (distance) P-C4' energy: -70.211 flat angles C4'-P-C4' energy: -91.546 flat angles P-C4'-P energy: -57.731 tors. eta vs tors. theta energy: -111.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -772.016704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.016704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.016704 (E_RNA) where: Base-Base interactions energy: -470.818 where: short stacking energy: -220.393 Base-Backbone interact. energy: 0.007 local terms energy: -301.205056 where: bonds (distance) C4'-P energy: -76.903 bonds (distance) P-C4' energy: -59.613 flat angles C4'-P-C4' energy: -84.692 flat angles P-C4'-P energy: -50.740 tors. eta vs tors. theta energy: -29.257 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)